REMARK FINAL VELOCITIES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 1.043 9.373 -1.260 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 1.469 9.976 6.468 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 5.225 -6.170 -1.727 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 -15.857 10.376 -20.567 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 6.927 13.500 4.182 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 -6.671 -1.814 -11.166 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 -10.621 -12.138 -17.859 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 7.968 2.113 0.330 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 -4.361 -4.574 4.036 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 5.006 -10.694 5.815 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 0.953 4.272 1.868 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 7.582 -3.070 -0.720 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 7.616 -16.790 24.527 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 0.489 7.517 -6.611 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 6.775 -3.276 -12.709 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 -1.820 1.433 -1.606 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 2.134 -2.291 -1.813 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 2.602 -20.667 -13.251 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 -7.483 -3.439 -12.975 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 3.752 1.280 2.507 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 -0.755 -4.196 1.215 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 2.955 7.205 -0.566 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 -0.444 -4.260 6.708 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 11.885 5.284 17.029 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 3.188 8.171 -3.952 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 -7.749 -0.404 27.554 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 3.732 2.825 1.333 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 3.671 -12.821 2.942 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 3.238 -1.100 7.238 1.00 0.00 SBOX O ATOM 30 P ADE A 9 -1.715 -2.090 1.695 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 5.938 0.738 -0.788 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 -5.789 6.406 -2.484 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 4.768 -0.344 -1.002 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 -0.294 -3.822 -3.010 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 18.506 -0.571 -12.098 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 -0.685 -2.878 -1.481 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 -2.681 -2.176 3.047 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 9.606 1.667 7.908 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 -2.141 -2.418 7.284 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 5.781 8.365 6.524 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 -1.118 -1.738 8.602 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 3.064 -1.911 -1.484 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 -0.212 1.043 -4.612 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 -13.815 27.252 -38.265 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 6.061 -1.107 2.024 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 3.638 5.392 6.570 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 0.382 -5.374 -4.268 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 -7.665 2.589 5.110 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 13.766 -4.053 3.733 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 -4.981 18.795 0.610 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 -3.464 -3.568 1.973 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 7.627 -4.082 4.450 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 4.846 6.401 0.407 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 0.972 -4.068 4.814 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 -0.756 0.892 8.780 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 5.751 -9.527 0.299 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 14.000 -9.441 -14.589 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 -4.129 -1.201 -1.545 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 -3.291 33.406 4.612 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 -0.008 6.799 3.112 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 3.085 -4.682 -3.222 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 -0.206 3.456 -4.126 1.00 0.00 SBOX O ATOM 63 P ADE A 10 0.040 -1.282 -0.807 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 -3.642 6.331 1.387 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 -3.345 3.385 1.441 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 -2.484 2.307 4.504 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 0.454 0.756 5.350 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 8.170 -1.240 3.281 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 -12.657 -4.675 4.727 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 -0.549 1.933 -2.209 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 -5.019 0.559 10.754 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 2.016 -5.790 2.678 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 3.788 -5.344 -0.999 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 5.370 17.969 2.507 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 7.835 -1.964 5.316 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 0.732 2.133 -5.133 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 16.095 4.141 -5.642 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 2.295 8.643 8.801 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 -6.466 -2.825 1.883 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 -0.589 -2.575 0.286 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 4.211 -5.638 6.447 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 12.121 6.933 -8.247 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 30.078 11.550 16.907 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 4.830 9.370 0.030 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 -4.908 5.142 1.063 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 -33.108 -24.966 10.731 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 0.154 1.618 -2.656 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 -8.109 3.672 -1.743 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 1.358 4.261 1.785 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 4.240 8.683 19.420 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 7.843 -3.697 -12.068 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 2.689 -0.920 -7.792 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 0.784 3.584 7.401 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 -30.742 -9.844 16.741 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 -0.026 0.686 5.716 1.00 0.00 SBOX O ATOM 96 P GUA A 11 0.238 1.409 0.735 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 5.043 5.765 -1.710 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 -1.212 0.699 1.594 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 0.289 3.513 -1.617 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 0.330 0.313 13.268 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 -11.232 10.463 8.613 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 23.428 11.960 3.151 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 -4.334 0.815 -1.196 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 13.000 7.398 29.598 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 1.743 -7.278 -0.821 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 -1.523 5.482 -4.963 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 -25.362 2.443 -2.394 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 4.011 2.054 1.176 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 -6.713 -4.878 -6.037 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 -16.095 26.850 -5.771 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 0.491 7.683 -1.705 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 0.034 5.684 6.377 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 -0.049 -2.560 -2.212 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 5.843 -2.313 2.934 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 3.679 2.921 3.514 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 -2.509 30.116 16.214 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 -5.112 -4.713 0.745 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 0.802 0.627 0.496 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 14.723 16.628 -8.987 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 -24.994 -5.983 20.020 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 -4.693 -4.873 1.269 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 0.298 0.564 -2.925 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 -8.892 1.865 2.724 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 12.947 13.536 10.146 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 6.952 -0.328 -0.630 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 3.639 0.839 -22.416 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 -3.973 1.375 5.822 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 -3.595 3.310 3.955 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 -7.533 3.423 0.003 1.00 0.00 SBOX O ATOM 130 P ADE A 12 2.336 6.211 -0.948 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 4.584 0.613 4.667 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 -4.134 -1.169 -4.791 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 4.607 4.209 2.556 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 -1.303 3.067 -1.889 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 -8.237 -9.720 -9.423 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 -13.273 7.346 3.638 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 -8.904 -4.212 -7.251 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 11.875 -0.554 -4.891 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 7.085 -7.537 0.678 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 0.031 -1.380 -2.363 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 -10.215 -31.445 12.439 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 -9.051 -4.582 -1.214 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 -0.687 -7.388 2.929 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 26.235 35.957 -3.385 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 -1.269 -9.111 1.538 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 1.963 0.860 3.708 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 2.876 -2.140 -3.952 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 -4.629 4.181 -2.466 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 -3.393 18.708 4.118 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 -14.589 -13.762 12.766 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 5.197 -7.745 -5.830 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 -2.692 6.373 0.306 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 8.976 -18.502 6.209 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 -3.384 5.904 -2.738 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 0.203 -6.223 -3.403 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 0.269 -1.063 2.655 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 6.653 -8.912 14.399 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 2.886 1.590 -4.722 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 0.884 -22.541 27.695 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 2.494 -0.136 -4.495 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 -1.565 11.748 19.568 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 4.305 6.524 0.499 1.00 0.00 SBOX O ATOM 163 P GUA A 13 3.091 0.008 -1.112 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 -1.534 6.439 4.075 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 -4.244 2.567 4.571 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 3.196 2.021 -2.316 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 -4.698 7.659 0.244 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 -19.446 20.042 -2.550 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 -10.240 -2.318 -2.003 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 12.727 -2.381 2.549 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 0.224 -34.318 -7.722 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 6.458 -2.390 -1.458 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 0.269 -3.733 -7.335 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 18.627 -2.053 -16.397 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 7.310 -0.038 -8.297 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 -2.603 -5.203 -4.851 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 -2.562 -1.851 -14.313 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 -0.586 -4.281 1.802 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 1.272 6.793 3.924 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 -1.164 -4.616 -2.937 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 4.797 -3.818 3.560 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 -5.877 -4.125 -4.922 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 -13.048 -0.944 0.232 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 4.652 -3.728 0.487 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 -2.437 -5.925 10.001 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 -1.378 13.314 -16.226 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 6.576 -5.220 0.542 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 -1.165 0.247 2.202 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 -7.219 8.044 -2.640 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 3.012 -3.193 -4.754 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 11.476 3.123 10.208 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 -0.745 -5.411 1.899 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 2.321 0.955 4.703 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 -0.639 0.751 -0.087 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 5.638 25.767 0.509 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 -7.064 2.249 -5.301 1.00 0.00 SBOX O ATOM 197 P ADE A 14 -2.354 5.049 6.084 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 -4.083 -7.931 -2.376 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 0.513 1.586 -2.552 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 -2.715 3.747 2.535 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 3.139 5.068 -0.188 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 4.924 6.968 -4.576 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 23.523 -8.429 -8.784 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 -3.801 2.310 -0.107 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 2.945 -3.067 24.296 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 4.993 1.298 -0.730 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 2.059 -3.740 -1.367 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 24.843 16.539 11.340 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 -0.178 2.608 1.472 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 -9.022 -3.260 -8.490 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 -19.769 2.261 4.558 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 6.371 -1.021 -6.409 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 -3.232 -8.875 2.512 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 -0.759 2.209 -10.971 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 -1.581 3.654 -1.003 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 -10.258 -8.714 3.637 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 -16.838 2.247 1.926 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 -0.061 -4.813 4.357 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 4.367 6.963 -6.909 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 5.966 8.676 -4.036 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 -1.309 -1.751 5.529 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 11.513 7.000 -10.472 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 -0.487 0.584 -0.772 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 12.709 24.032 15.289 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 5.470 -2.646 -7.600 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 0.662 21.468 -16.077 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 1.758 1.032 -3.690 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 -2.696 8.304 0.161 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 -0.174 -1.478 7.883 1.00 0.00 SBOX O ATOM 230 P GUA A 15 -3.632 1.508 3.250 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 -6.181 2.004 2.249 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 -2.869 3.743 -2.528 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 0.364 4.060 0.705 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 -1.336 -2.439 -1.769 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 -0.787 4.248 -0.601 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 4.038 2.859 -0.186 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 -0.110 -0.028 2.937 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 9.206 3.745 -0.732 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 1.034 -2.149 -4.153 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 -4.661 0.203 3.621 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 8.722 14.370 -2.498 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 5.556 12.041 1.602 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 -8.521 7.426 11.378 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 1.652 1.513 -1.397 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 -6.737 -3.981 5.517 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 4.591 -2.147 4.519 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 -2.990 -2.534 -7.758 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 -4.161 -2.442 4.298 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 10.966 1.149 6.311 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 21.574 17.786 -4.615 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 -0.354 7.110 -0.051 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 -0.531 2.592 2.312 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 10.540 15.570 -1.463 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 11.608 6.516 10.767 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 -4.181 7.527 1.297 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 2.729 -3.556 1.839 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 -9.755 0.191 -2.268 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 8.082 13.778 -14.419 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 3.992 5.739 -6.862 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 -8.146 -2.754 29.047 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 -6.571 4.526 7.738 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 -9.418 28.437 -7.385 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 0.551 5.732 -0.398 1.00 0.00 SBOX O ATOM 264 P GUA A 16 3.828 0.579 -5.406 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 -0.973 3.416 2.147 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 -1.698 1.274 0.052 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 2.414 1.372 -8.928 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 3.025 -10.191 -3.318 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 10.856 -11.921 -4.078 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 10.088 -7.027 7.957 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 0.491 -2.031 0.538 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 -6.885 -4.404 -7.488 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 -0.830 -1.465 -5.466 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 -3.469 6.468 -1.364 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 8.959 -24.605 12.555 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 2.545 -6.520 -2.159 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 -1.004 1.235 -1.930 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 8.686 7.245 -8.996 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 -3.139 -2.527 9.849 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 5.589 -9.029 0.553 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 -7.189 -1.045 -5.890 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 1.526 6.673 0.539 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 3.195 -0.237 6.246 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 6.516 -14.172 -14.614 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 0.179 9.630 0.483 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 -9.100 -1.757 -1.731 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 1.966 1.537 -9.801 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 -1.451 -4.581 1.475 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 -5.143 5.168 -6.496 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 4.453 6.569 -0.439 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 6.755 -5.669 9.160 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 8.582 -0.063 -4.820 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 -1.425 -2.718 4.776 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 -12.942 -22.921 -13.403 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 1.065 7.773 2.695 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 -7.680 10.805 4.910 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 7.014 1.569 -1.868 1.00 0.00 SBOX O ATOM 298 P URA A 17 -0.822 2.352 -2.157 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 -6.500 -8.211 1.537 1.00 0.00 SBOX ATOM 300 O2P URA A 17 -1.939 4.843 -0.947 1.00 0.00 SBOX ATOM 301 O5' URA A 17 -2.102 1.847 -6.056 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 -6.529 -1.348 5.907 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 5.080 29.611 -23.552 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 -3.491 -1.507 10.269 1.00 0.00 SBOX ATOM 305 C4' URA A 17 -1.890 10.903 1.680 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 12.866 -24.960 32.972 1.00 0.00 SBOX ATOM 307 O4' URA A 17 1.299 -4.959 3.269 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 -4.963 2.984 0.621 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 22.657 -28.315 -5.491 1.00 0.00 SBOX ATOM 310 N1 URA A 17 -4.116 3.438 1.572 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 3.125 -0.797 -0.592 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 -14.889 11.215 27.999 1.00 0.00 SBOX ATOM 313 C5 URA A 17 6.958 4.379 6.117 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 3.274 0.731 9.339 1.00 0.00 SBOX ATOM 315 C4 URA A 17 4.688 2.036 -4.758 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 0.816 -2.637 -4.368 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 -1.262 -0.035 -1.691 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 22.418 12.412 3.231 1.00 0.00 SBOX ATOM 319 C2 URA A 17 0.303 -0.835 -2.565 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 -2.174 1.228 -1.763 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 0.057 10.159 4.663 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 -24.158 1.485 23.633 1.00 0.00 SBOX ATOM 323 C2' URA A 17 -4.075 6.554 -3.440 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 -13.009 2.353 4.711 1.00 0.00 SBOX ATOM 325 O2' URA A 17 -1.942 3.496 8.320 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 -17.806 -4.205 3.837 1.00 0.00 SBOX ATOM 327 O3' URA A 17 -4.161 0.199 2.230 1.00 0.00 SBOX O ATOM 328 P GUA A 18 0.266 -5.444 3.676 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 2.809 -0.639 -2.203 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 -0.378 0.126 3.186 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 -0.810 -3.782 -2.360 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 -0.223 -0.071 0.607 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 4.261 14.150 -6.202 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 2.535 12.897 12.767 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 -3.911 2.963 -8.968 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 1.814 -20.301 -20.880 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 -4.241 -2.559 3.407 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 3.065 3.736 -3.350 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 6.677 -12.618 -12.645 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 9.913 -6.693 -2.419 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 -3.044 3.609 -4.567 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 19.823 -6.834 12.751 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 7.857 8.152 -4.150 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 7.000 -2.508 -9.928 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 1.085 -6.013 -0.508 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 -8.907 -2.095 -5.851 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 0.624 2.322 2.112 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 -13.648 13.478 14.953 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 2.484 -3.279 -2.211 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 -8.465 3.034 -1.774 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 -2.591 -5.431 -2.060 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 -7.785 -0.108 -5.794 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 -2.575 -2.856 -1.549 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 2.986 -2.572 -4.416 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 -4.237 1.158 -2.037 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 9.766 4.872 -5.115 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 -1.818 -8.366 10.208 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 3.939 7.212 -4.063 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 -0.251 -1.243 1.308 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 10.430 21.774 -16.087 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 -5.194 -4.653 5.184 1.00 0.00 SBOX O ATOM 362 P GUA A 19 2.088 2.967 -3.034 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 1.767 -0.060 -0.131 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 -0.343 -0.292 3.237 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 -2.495 9.150 -1.118 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 -6.764 -4.566 -2.329 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 27.979 -0.246 43.316 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 -22.272 -9.014 10.065 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 0.269 -0.524 5.744 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 9.821 -3.800 -3.983 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 2.254 2.320 -7.979 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 0.531 7.722 3.067 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 10.422 3.142 7.601 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 -2.564 -8.604 -3.112 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 3.108 -0.725 -8.992 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 9.668 -7.978 16.328 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 -4.532 -4.342 4.357 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 7.169 -4.466 2.533 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 -1.341 -0.007 0.178 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 0.057 1.274 2.419 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 2.200 -4.698 -8.738 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 3.144 31.445 -14.946 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 1.999 -3.326 -11.718 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 -1.876 3.590 3.127 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 1.191 9.907 -7.194 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 -4.017 12.177 28.689 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 3.313 -8.857 -0.655 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 1.140 8.754 -9.266 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 7.441 -7.006 6.943 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 22.987 -15.592 -3.944 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 3.009 5.274 -2.428 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 6.845 -12.328 4.330 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 3.549 -3.426 -2.946 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 -1.415 -3.775 -4.606 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 9.481 -10.424 -2.001 1.00 0.00 SBOX O ATOM 396 P ADE A 20 5.388 0.191 -4.478 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 -5.062 4.205 -0.610 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 1.965 -5.277 0.249 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 3.259 -3.070 -3.576 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 -8.286 -4.005 -0.954 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 26.715 -12.887 6.635 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 -5.998 2.982 1.199 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 -0.281 6.015 -2.755 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 26.259 26.528 -8.108 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 -3.355 9.579 5.645 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 -5.876 7.054 -11.154 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 21.660 -12.942 -13.701 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 -4.664 -1.842 2.482 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 -0.221 -2.193 2.323 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 -4.853 3.484 5.674 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 -4.686 5.997 3.246 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 3.153 1.865 -1.319 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 -10.294 3.969 1.274 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 -1.669 -0.347 4.431 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 -8.872 14.393 -3.772 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 13.255 0.413 16.251 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 2.907 7.422 8.830 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 0.224 -8.559 -3.155 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 -1.776 -5.717 8.718 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 -4.058 -8.627 -3.205 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 -2.353 2.726 2.867 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 5.560 14.388 5.328 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 -7.076 -5.768 -5.756 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 1.775 1.260 3.999 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 -16.983 18.614 13.211 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 -3.614 4.603 3.247 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 11.836 -13.829 -5.142 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 -1.350 -1.641 -6.262 1.00 0.00 SBOX O ATOM 429 P GUA A 21 0.758 4.225 -0.473 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 -1.100 -1.481 0.612 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 1.270 -4.861 -1.595 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 -3.713 4.028 -3.745 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 -0.083 3.071 -6.387 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 8.683 -0.748 -13.713 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 -7.102 -5.882 10.462 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 -9.817 5.420 -2.739 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 6.907 5.859 -2.215 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 0.756 -1.453 -2.786 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 4.687 7.520 -6.275 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 5.778 7.263 -13.500 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 2.929 1.832 2.284 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 10.121 7.609 3.199 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 11.517 -7.609 -22.054 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 4.801 1.769 -0.067 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 3.413 3.420 -8.821 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 2.305 -0.163 0.844 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 2.266 4.124 4.517 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 5.159 7.562 1.776 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 14.012 14.203 -17.868 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 -3.166 3.491 1.114 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 4.142 -2.735 -2.128 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 22.355 -20.445 29.727 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 6.084 5.445 -10.922 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 -3.265 -2.479 -4.617 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 -2.807 -4.933 1.316 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 -1.010 -3.745 -2.052 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 -15.936 17.056 -41.724 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 -1.603 14.515 9.846 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 1.897 7.894 -10.890 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 3.691 -10.439 8.127 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 1.479 -8.914 -0.382 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 -7.024 5.361 -4.781 1.00 0.00 SBOX O ATOM 463 P GUA A 22 -2.686 2.765 -3.141 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 -2.432 -4.677 0.776 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 1.101 0.518 -0.627 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 -3.219 -2.439 2.532 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 1.026 2.994 5.322 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 26.104 -4.541 -5.697 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 7.731 15.044 5.614 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 -3.055 0.517 -3.469 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 20.713 12.948 0.659 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 -4.568 -0.783 -2.430 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 2.904 -3.587 -11.115 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 1.217 23.478 20.824 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 4.386 -0.606 0.335 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 5.383 10.794 4.727 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 19.414 -4.428 0.387 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 -1.277 6.178 0.308 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 0.702 -0.260 -4.477 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 -5.320 2.092 0.046 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 -4.403 -0.441 9.335 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 2.387 -1.606 3.356 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 -7.269 5.274 -0.160 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 4.362 0.425 -7.291 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 -2.894 0.008 -4.375 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 -5.075 5.364 -21.216 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 8.148 15.387 -15.053 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 -1.324 10.855 -0.251 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 3.416 -0.265 0.085 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 -0.530 3.182 3.353 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 3.145 13.159 -5.525 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 3.153 -9.426 0.986 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 -6.853 -6.191 3.093 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 2.138 -0.404 6.315 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 -1.011 14.551 1.193 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 -3.203 0.385 2.036 1.00 0.00 SBOX O ATOM 497 P GUA A 23 -0.543 -4.902 -5.496 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 -4.480 2.283 -2.149 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 5.135 0.998 -6.115 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 4.231 1.804 3.534 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 3.123 5.229 -3.941 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 0.263 5.533 -24.660 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 -2.581 -17.703 -9.914 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 2.544 -0.780 -3.169 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 3.722 10.810 -10.462 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 2.869 -2.420 2.749 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 -6.862 1.179 1.649 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 -5.896 -31.286 -7.384 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 5.231 -0.919 7.894 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 -1.926 -4.917 -5.557 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 -8.980 4.253 -11.137 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 0.535 -0.948 7.026 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 0.860 -4.215 9.933 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 -3.289 -2.109 -0.833 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 0.264 -3.055 0.669 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 -4.379 -5.781 1.734 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 -7.820 -2.529 -8.914 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 5.527 0.332 -3.988 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 -0.423 -0.299 3.725 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 -11.557 -2.347 3.486 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 9.242 23.057 0.007 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 -0.937 -0.768 6.205 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 -7.333 2.220 -4.032 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 -4.015 5.393 -5.599 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 5.247 33.222 -6.691 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 -5.965 0.647 4.588 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 36.604 -1.131 8.025 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 -0.801 0.637 5.277 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 24.914 -5.330 4.715 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 2.803 0.531 -6.572 1.00 0.00 SBOX O ATOM 531 P ADE A 24 -0.273 -3.062 -4.250 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 -1.407 5.908 1.168 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 -4.461 -0.905 1.999 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 1.594 0.296 7.071 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 -5.914 -1.131 7.177 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 1.947 2.232 -16.985 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 10.477 0.870 13.631 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 -2.480 -1.206 8.417 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 -11.352 4.396 -2.299 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 1.311 0.505 -1.970 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 3.170 0.728 0.618 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 -16.956 -33.142 18.752 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 6.783 -4.077 -0.910 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 -8.354 -0.766 -7.220 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 10.694 12.316 -0.836 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 10.560 4.136 8.315 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 2.308 -0.766 -1.174 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 -0.544 4.577 3.295 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 -3.060 -3.601 0.392 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 -7.939 -13.540 -27.543 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 11.189 19.923 -6.814 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 -3.614 -3.300 -0.682 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 -0.789 -1.467 5.420 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 10.787 -4.714 -29.603 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 0.518 2.218 -3.558 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 6.056 2.098 5.567 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 -2.013 6.703 0.193 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 9.500 1.119 -12.755 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 -3.785 -2.741 -8.128 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 4.750 -0.239 -4.045 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 -4.904 -1.198 -0.174 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 -9.903 -3.196 4.382 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 4.445 -6.229 -3.989 1.00 0.00 SBOX O ATOM 564 P CYT A 25 -1.519 -1.225 -1.900 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 3.691 -0.446 -1.203 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 -1.574 5.745 -2.531 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 -4.598 -2.394 1.838 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 3.432 -5.376 -8.576 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 5.860 4.302 -20.565 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 -5.179 1.835 -21.470 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 -2.640 -0.914 -0.687 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 -13.917 40.097 15.536 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 -7.274 -3.715 0.116 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 4.116 2.338 1.716 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 25.469 -13.108 -6.117 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 -3.435 -5.157 -5.337 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 4.790 5.444 -1.809 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 -7.427 12.292 -0.305 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 -1.099 -1.538 -3.780 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 -5.362 -7.955 -5.711 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 5.935 -6.301 -4.217 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 -3.553 6.663 6.920 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 9.871 -19.675 -7.422 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 13.049 10.233 -0.057 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 -4.069 8.559 -4.034 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 0.035 1.605 -1.800 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 -1.618 -3.131 4.250 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 -4.445 3.702 0.583 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 13.506 22.616 -19.016 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 5.290 3.013 -3.182 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 -4.379 11.868 -5.089 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 2.379 5.441 3.701 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 -1.908 4.763 -3.672 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 1.245 -2.540 0.989 1.00 0.00 SBOX O ATOM 595 P URA A 26 3.119 1.965 -4.697 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 -6.917 -1.857 -1.283 1.00 0.00 SBOX ATOM 597 O2P URA A 26 -2.787 -0.671 10.079 1.00 0.00 SBOX ATOM 598 O5' URA A 26 -3.310 4.815 1.406 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 5.407 -1.556 -2.675 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 26.464 -8.928 -7.353 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 -3.546 -2.301 -16.383 1.00 0.00 SBOX ATOM 602 C4' URA A 26 1.812 7.309 -2.240 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 10.924 19.906 31.157 1.00 0.00 SBOX ATOM 604 O4' URA A 26 -7.265 -3.470 2.461 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 0.957 1.667 5.078 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 12.474 -5.725 -1.797 1.00 0.00 SBOX ATOM 607 N1 URA A 26 1.153 6.425 8.136 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 7.011 -5.136 9.642 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 6.120 4.469 -14.985 1.00 0.00 SBOX ATOM 610 C5 URA A 26 3.771 6.680 2.448 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 -13.703 8.932 -1.649 1.00 0.00 SBOX ATOM 612 C4 URA A 26 -8.031 1.967 2.164 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 1.343 -7.057 4.001 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 -2.284 0.945 -6.041 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 0.025 15.428 -42.630 1.00 0.00 SBOX ATOM 616 C2 URA A 26 10.496 5.463 -1.793 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 6.918 -4.270 1.264 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 6.748 -6.934 -0.003 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 2.712 -15.039 -16.185 1.00 0.00 SBOX ATOM 620 C2' URA A 26 -0.435 6.200 1.433 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 -7.369 -16.932 5.320 1.00 0.00 SBOX ATOM 622 O2' URA A 26 -6.801 -3.338 -2.036 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 -12.224 10.681 -4.871 1.00 0.00 SBOX ATOM 624 O3' URA A 26 -2.410 6.890 1.149 1.00 0.00 SBOX O ATOM 625 P GUA A 27 1.630 1.472 -0.924 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 5.726 1.541 1.608 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 2.915 -0.129 0.907 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 -4.462 3.972 -0.116 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 2.114 -4.479 10.170 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 -7.034 -2.666 14.832 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 16.745 4.859 15.846 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 -11.672 0.601 -7.819 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 0.042 -0.950 14.126 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 2.055 -0.082 -7.866 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 -4.137 -5.799 5.122 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 -14.332 10.324 10.974 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 -3.051 0.263 10.876 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 -2.192 -0.645 -9.580 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 -2.140 9.711 -14.340 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 9.445 -1.503 1.344 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 -4.632 8.839 0.973 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 -2.868 0.739 -7.225 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 -4.160 3.117 -6.273 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 0.540 4.427 4.561 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 -8.809 -12.297 0.480 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 -1.317 -5.736 -0.580 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 -0.258 1.160 -6.566 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 -2.458 -6.404 4.988 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 10.915 4.848 -29.450 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 2.103 -0.834 0.158 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 -2.446 4.795 3.895 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 2.310 -4.503 -6.607 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 -1.892 -6.147 -32.153 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 -6.169 -2.619 -3.430 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 -12.762 -0.279 11.977 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 -0.848 -3.590 2.560 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 -17.870 3.835 20.048 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 2.570 -0.217 -6.976 1.00 0.00 SBOX O ATOM 659 P GUA A 28 1.785 3.399 2.610 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 0.245 1.573 0.335 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 -3.400 -1.889 -5.608 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 4.197 -7.519 2.260 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 10.094 -2.289 -1.158 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 -9.981 13.439 -3.240 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 13.484 -3.836 -3.415 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 -7.242 3.384 2.884 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 4.691 -3.105 -2.528 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 -1.420 -4.244 0.776 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 1.704 5.890 3.635 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 -0.709 2.630 0.865 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 6.985 -0.492 1.415 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 1.100 0.548 0.937 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 -7.954 -14.132 -5.653 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 4.534 0.678 12.080 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 5.462 -6.729 -0.001 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 6.070 -7.819 -9.187 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 1.667 2.741 -2.923 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 2.814 -3.389 -0.360 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 -1.790 -11.111 5.682 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 9.967 0.356 -2.744 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 4.030 0.996 -3.182 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 -8.467 -9.323 -0.817 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 -17.029 7.299 23.966 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 -2.308 -11.154 -6.323 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 -5.145 -9.460 4.461 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 1.542 4.098 5.236 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 10.387 -1.274 6.054 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 -2.415 -0.649 2.759 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 -7.461 -2.636 11.353 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 4.189 3.553 -1.147 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 -27.632 -46.913 -10.691 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 -1.463 4.450 3.048 1.00 0.00 SBOX O ATOM 693 P CYT A 29 -0.832 -1.261 -0.532 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 -8.080 -6.795 0.780 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 0.542 -9.062 0.603 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 -2.157 -3.985 -5.267 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 -1.430 -3.087 8.538 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 29.691 -7.003 7.319 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 7.645 -2.734 4.484 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 -3.616 -2.928 -4.642 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 3.062 -39.952 -19.522 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 4.051 0.428 -3.625 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 0.676 -12.815 -3.091 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 24.934 5.263 6.895 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 1.857 3.368 -3.498 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 -2.779 4.627 6.570 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 34.599 10.304 -8.533 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 4.360 -0.810 -6.274 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 -9.785 -43.311 -6.563 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 6.444 -0.249 5.304 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 -8.222 4.860 -5.206 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 32.981 -40.715 34.039 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 4.973 0.663 28.790 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 0.376 0.316 -5.826 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 -1.642 -0.298 -2.861 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 -4.022 -7.901 1.994 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 13.253 -0.827 -4.861 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 16.191 1.971 2.558 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 -0.060 -3.632 -4.478 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 -1.880 6.069 28.106 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 -9.760 -0.965 -2.530 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 15.850 -2.218 -0.734 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 -2.730 -5.746 3.031 1.00 0.00 SBOX O ATOM 724 P CYT A 30 -4.712 -2.298 -1.666 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 -9.159 -3.669 -3.168 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 1.381 2.385 -6.913 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 5.225 -0.376 5.279 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 3.983 3.800 0.154 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 17.794 -5.954 -3.676 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 6.805 8.081 -6.792 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 -7.079 5.114 -3.961 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 12.722 -23.933 35.450 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 2.562 9.292 -0.718 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 -3.146 5.041 0.512 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 37.107 14.472 4.813 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 9.476 -0.630 9.457 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 5.632 6.905 -5.084 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 -13.818 7.092 12.873 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 6.009 0.560 -6.362 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 8.595 -16.545 11.115 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 8.333 -6.861 0.697 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 -1.506 -1.939 2.332 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 -12.497 -0.407 7.330 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 7.670 4.085 5.168 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 -5.186 -3.915 1.621 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 -2.280 -0.552 -7.464 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 5.526 -0.791 4.976 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 0.257 1.631 -5.772 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 15.736 5.997 14.135 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 1.623 0.294 1.446 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 -0.452 -2.830 -25.420 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 0.848 0.452 0.910 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 0.143 6.420 -6.892 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 -0.620 7.429 4.929 1.00 0.00 SBOX O ATOM 755 P CYT A 31 -5.588 -0.974 3.289 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 -1.596 -5.181 -2.356 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 8.823 -4.615 -4.755 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 1.331 4.142 -3.351 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 9.142 3.996 -8.462 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 -31.090 15.531 -14.190 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 -2.558 11.404 14.583 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 -3.086 0.846 -4.116 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 5.644 -32.523 39.514 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 -0.167 -3.949 1.114 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 -8.152 3.221 1.510 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 -19.160 -5.927 6.843 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 -0.981 -3.355 8.415 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 -0.814 -0.011 6.499 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 12.380 -30.668 12.120 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 -7.147 5.859 -0.144 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 11.015 5.954 0.415 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 0.803 1.425 0.065 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 -1.024 2.100 -2.266 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 11.457 -9.154 -24.969 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 4.040 0.099 -1.243 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 2.493 -7.262 3.597 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 -8.157 -2.795 -1.774 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 2.214 1.818 -3.513 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 1.224 7.692 0.575 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 27.241 42.798 -8.256 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 0.102 -1.421 0.142 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 19.600 -21.686 7.524 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 5.645 -4.631 -1.694 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 -6.722 22.082 -3.300 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 4.639 2.852 -0.985 1.00 0.00 SBOX O ATOM 786 P GUA A 32 4.181 -2.701 -0.443 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 0.980 -4.793 4.738 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 2.448 -7.121 1.669 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 0.909 -2.308 -1.985 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 0.875 1.268 5.712 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 -2.631 23.853 4.261 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 28.852 7.857 -13.332 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 -2.849 -0.318 -2.528 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 -2.721 -4.304 6.709 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 2.002 -1.633 8.203 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 -6.308 5.472 2.791 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 -4.409 5.399 1.633 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 -3.353 -2.963 5.399 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 2.720 -5.743 1.247 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 -4.017 14.084 -18.686 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 -6.161 -5.543 0.487 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 -4.331 0.578 2.804 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 -2.398 -1.638 1.829 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 5.873 -2.842 -2.820 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 2.627 3.750 1.181 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 0.093 -14.220 9.526 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 5.903 7.919 4.745 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 -6.077 0.201 -3.190 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 -9.102 -0.691 25.054 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 -18.927 -15.752 22.595 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 3.875 3.080 -3.762 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 -4.073 1.892 7.333 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 -10.369 -7.700 -4.318 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 22.593 -7.658 3.367 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 -2.103 3.331 -1.799 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 6.299 15.000 3.097 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 3.233 -0.724 4.227 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 -13.889 5.275 28.936 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 -0.489 3.319 -2.684 1.00 0.00 SBOX O ATOM 820 P ADE A 33 -2.573 -6.802 -8.902 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 1.678 -4.288 1.340 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 9.147 -2.863 -5.100 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 -2.195 -6.393 -0.817 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 -4.862 -0.302 3.794 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 -15.832 -12.130 17.933 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 -19.183 22.784 -4.605 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 -1.629 1.273 -3.780 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 -31.492 -47.249 9.249 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 -2.748 1.036 -4.538 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 -4.327 2.779 -0.874 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 0.843 1.084 -3.432 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 -1.918 2.531 2.499 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 -0.708 -3.009 4.707 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 13.405 -11.774 -22.320 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 -7.067 1.388 -7.784 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 1.777 -0.573 -1.548 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 -1.615 10.545 6.184 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 -1.274 -0.004 -3.977 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 16.767 8.284 24.549 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 8.648 -15.575 -28.525 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 -7.493 -2.539 6.204 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 2.045 -2.109 -0.419 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 18.039 -11.019 3.842 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 3.566 -2.149 -8.261 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 2.480 -0.323 -6.423 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 -6.657 0.750 5.749 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 -7.057 0.820 8.656 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 4.962 -3.976 -4.184 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 -10.244 -9.055 -24.297 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 -7.430 7.897 8.743 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 9.241 28.600 -22.003 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 1.333 -2.774 -2.368 1.00 0.00 SBOX O ATOM 853 P URA A 34 4.120 -0.862 4.831 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 -0.506 -2.754 -2.900 1.00 0.00 SBOX ATOM 855 O2P URA A 34 -2.820 1.730 0.836 1.00 0.00 SBOX ATOM 856 O5' URA A 34 3.906 -0.990 4.181 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 4.222 -9.627 -1.839 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 -25.753 -20.184 2.807 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 0.323 -23.379 44.369 1.00 0.00 SBOX ATOM 860 C4' URA A 34 2.792 -7.912 0.516 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 10.799 -7.113 -11.624 1.00 0.00 SBOX ATOM 862 O4' URA A 34 -3.114 -3.108 1.541 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 9.118 2.738 0.092 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 2.907 1.814 2.627 1.00 0.00 SBOX ATOM 865 N1 URA A 34 5.419 -2.543 -4.960 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 4.523 4.916 1.803 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 9.411 -0.901 -25.069 1.00 0.00 SBOX ATOM 868 C5 URA A 34 1.103 0.292 6.343 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 6.061 11.478 2.215 1.00 0.00 SBOX ATOM 870 C4 URA A 34 -0.893 4.933 2.194 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 -0.641 -0.450 -0.728 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 1.979 1.531 0.534 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 10.340 -12.921 4.555 1.00 0.00 SBOX ATOM 874 C2 URA A 34 -8.109 4.225 -4.371 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 -1.105 8.889 -13.198 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 -1.330 3.688 -2.539 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 -12.505 3.548 -2.125 1.00 0.00 SBOX ATOM 878 C2' URA A 34 -3.409 1.573 9.234 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 -14.587 20.589 5.529 1.00 0.00 SBOX ATOM 880 O2' URA A 34 2.935 5.009 -4.987 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 -12.731 -0.486 6.357 1.00 0.00 SBOX ATOM 882 O3' URA A 34 -6.111 -2.468 9.712 1.00 0.00 SBOX O ATOM 883 P GUA A 35 1.348 -1.376 -3.255 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 0.026 10.336 3.869 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 -0.078 11.860 0.193 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 3.019 0.946 1.163 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 -5.994 1.701 -0.096 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 7.088 2.488 9.487 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 11.177 -12.868 -24.071 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 6.233 6.745 2.322 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 0.591 13.189 18.854 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 -3.382 -0.673 4.489 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 0.943 -4.225 3.235 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 -5.253 -5.579 -4.687 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 3.696 0.733 1.689 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 4.620 -1.793 4.796 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 5.572 5.006 -6.573 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 -12.682 -6.248 5.234 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 -1.131 4.776 8.045 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 3.878 -2.279 -3.055 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 -2.159 -1.610 -2.063 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 -0.980 4.565 4.220 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 -2.488 5.893 -0.208 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 -3.348 8.600 6.975 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 -3.552 -3.560 2.522 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 -4.401 -26.468 -28.470 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 11.422 1.318 7.542 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 -3.514 -0.941 2.485 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 -0.416 -1.223 3.904 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 -1.696 2.100 3.985 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 16.389 0.661 12.246 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 -4.658 -6.304 -2.002 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 10.606 -24.580 -5.766 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 4.927 5.357 4.071 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 -18.483 0.548 -12.488 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 -3.963 -4.350 2.550 1.00 0.00 SBOX O ATOM 917 P ADE A 36 -5.060 -5.085 -3.864 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 5.109 -1.699 3.058 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 -10.471 -0.191 -1.909 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 1.455 7.395 -2.222 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 3.338 1.720 1.299 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 15.255 -1.089 -0.771 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 21.157 29.668 27.354 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 -6.220 3.056 0.656 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 9.101 -4.868 -2.290 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 -3.284 -1.466 -0.314 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 -3.081 0.306 7.182 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 12.011 18.098 1.169 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 2.396 0.462 -3.244 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 2.335 0.519 2.941 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 6.942 -0.738 -4.167 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 -7.439 -2.584 -0.879 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 3.019 7.396 2.533 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 1.616 -5.513 1.179 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 -2.161 -2.270 -6.540 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 -5.366 -4.894 11.612 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 -0.188 -10.721 -13.523 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 5.630 4.968 -2.277 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 -4.380 3.780 1.679 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 -8.931 24.333 24.716 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 6.495 -4.943 2.665 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 1.048 3.045 -0.128 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 7.030 1.291 -1.570 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 3.229 2.494 -23.440 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 -1.866 2.262 1.636 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 23.615 -16.560 -9.480 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 -6.436 -3.986 -0.336 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 10.766 -22.460 9.634 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 6.946 1.258 -1.256 1.00 0.00 SBOX O ATOM 950 P ADE A 37 -1.251 -3.780 -1.096 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 -0.653 4.462 0.220 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 2.054 0.495 -10.769 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 4.313 3.271 -1.889 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 1.955 2.897 -5.780 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 13.314 1.346 -6.258 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 -7.792 -24.177 -16.556 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 1.751 6.049 2.939 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 -21.754 -2.556 24.803 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 9.276 5.619 5.794 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 -0.360 9.355 2.658 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 -7.294 -24.421 32.454 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 -2.723 3.685 5.208 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 2.115 -1.203 -3.224 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 0.919 7.711 -15.082 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 -4.334 -5.348 7.534 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 -2.783 4.674 3.127 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 -1.397 -1.805 1.146 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 -4.359 -2.309 -3.130 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 11.711 -16.493 -18.420 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 2.615 -1.639 -14.555 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 2.132 2.356 1.755 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 1.506 6.005 -6.768 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 -5.208 -2.943 4.971 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 -0.013 -4.467 3.587 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 -0.243 3.839 5.931 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 1.746 -0.937 -0.471 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 5.421 4.697 15.533 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 -1.387 -2.886 -5.772 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 3.663 -6.017 5.509 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 -2.405 2.758 -5.133 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 0.982 -4.573 -7.585 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 -0.613 -12.832 7.876 1.00 0.00 SBOX O ATOM 983 P ADE A 38 0.788 -5.071 -1.459 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 0.224 0.941 -4.797 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 -2.064 4.948 -10.476 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 -4.187 -2.808 -6.535 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 -14.924 0.802 8.253 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 -17.981 -15.004 27.831 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 -16.696 -20.172 3.413 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 -4.588 2.761 1.654 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 -3.200 31.301 -1.589 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 -1.486 -2.551 3.051 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 -3.249 2.612 4.247 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 -14.505 -1.412 -18.032 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 -4.159 -0.094 -3.770 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 2.369 -4.571 3.420 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 10.078 3.022 22.296 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 4.050 0.841 -1.137 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 4.116 1.528 -1.668 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 -5.096 -3.831 -4.380 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 1.724 -3.624 2.593 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 -7.133 10.633 29.033 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 -7.033 1.963 5.134 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 -4.613 2.138 2.172 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 -3.857 -9.769 0.938 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 -1.683 -11.521 -12.233 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 4.378 -5.189 -10.340 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 2.273 0.218 8.382 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 -3.240 -7.538 7.795 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 -10.997 19.658 26.882 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 -6.521 5.620 -0.756 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 -6.681 4.982 0.485 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 -2.970 -3.919 0.257 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 -14.506 8.428 0.515 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 0.982 8.633 -4.035 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 3.059 -0.723 -1.103 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 -0.630 -2.532 2.522 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 -2.475 -1.809 -1.309 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 5.176 4.117 1.145 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 -3.777 2.634 -2.646 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 -2.924 -1.032 2.643 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 5.437 -6.403 -2.527 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 11.579 6.379 -8.908 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 -6.471 19.219 14.871 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 4.401 -5.286 3.270 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 2.893 2.611 -3.292 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 -3.216 7.698 -0.832 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 0.117 -3.715 4.506 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 -7.178 -2.003 -0.824 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 20.665 27.362 2.374 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 1.699 -8.897 -4.491 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 3.597 -7.736 11.053 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 8.974 -0.926 14.601 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 6.761 2.315 4.800 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 -2.438 7.164 18.602 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 -3.654 9.012 20.955 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 -2.272 0.100 1.170 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 -7.452 -2.815 0.593 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 -1.492 11.561 5.313 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 -3.874 -6.244 6.878 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 -7.822 -0.232 14.130 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 -4.270 -0.246 -0.162 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 -5.733 1.245 20.881 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 -5.038 2.861 2.818 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 -27.158 5.357 -8.937 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 5.696 1.531 0.465 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 5.770 3.231 0.545 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 3.910 -4.790 1.466 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 -4.299 -1.303 2.846 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 0.397 1.255 -2.220 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 -4.461 4.192 -3.715 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 6.817 -28.996 2.694 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 14.008 -14.301 5.328 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 -2.598 -0.125 -10.629 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 -8.469 10.840 17.575 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 -4.091 6.645 3.211 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 -4.075 2.142 1.759 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 3.339 -6.640 -2.380 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 10.136 6.889 -2.428 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 -5.477 8.333 -2.841 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 -26.316 9.163 15.732 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 -0.903 4.547 5.249 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 14.266 10.565 22.837 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 5.559 -4.682 5.710 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 6.636 -2.640 8.185 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 -8.193 -20.314 11.066 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 17.142 4.753 32.881 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 4.397 -3.808 8.460 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 -4.605 -1.501 4.106 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 2.221 0.803 -2.394 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 0.072 4.133 -3.918 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 22.655 9.308 25.143 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 7.178 0.555 -3.196 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 9.727 -5.600 15.220 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 -0.903 -1.318 2.909 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 12.491 8.998 2.735 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 5.080 -3.246 5.629 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 1.576 -2.984 0.241 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 -4.226 -4.381 -2.640 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 -2.046 2.276 -0.356 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 2.379 3.273 4.342 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 0.953 -3.250 4.403 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 -15.721 -3.859 -22.937 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 10.356 2.028 8.399 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 0.244 2.707 -3.276 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 7.213 2.374 -14.868 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 5.936 -5.304 4.250 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 3.484 -3.943 1.438 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 13.900 1.864 2.393 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 -4.522 -0.784 0.022 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 -9.657 3.451 2.250 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 8.433 22.308 -27.431 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 7.679 -2.859 2.725 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 0.981 -28.304 -4.120 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 -3.973 -4.879 4.531 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 10.560 -10.014 -10.124 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 -4.923 16.675 -15.773 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 11.066 -9.740 -9.731 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 -0.457 4.061 -2.768 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 2.606 -5.399 3.251 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 -1.968 -7.487 5.241 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 9.547 -1.103 4.541 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 -19.419 -2.242 16.586 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 -8.405 4.305 10.491 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 -6.158 3.844 11.744 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 -1.362 -1.293 2.810 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 -19.732 25.951 -15.847 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 -2.795 -4.783 -1.177 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 -2.355 -4.201 1.073 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 -8.639 -4.434 3.687 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 -1.398 2.108 -0.364 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 -3.817 -4.091 0.434 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 -2.122 7.209 9.666 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 22.987 3.163 5.257 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 -15.862 -27.051 -1.140 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 -1.137 -1.492 0.972 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 14.690 12.407 -5.339 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 3.565 4.807 -0.520 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 -3.663 7.259 2.170 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 -16.597 22.019 -7.275 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 -0.741 -2.173 6.744 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 -3.548 -5.276 -1.364 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 -6.925 -2.945 -11.407 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 3.289 2.116 1.782 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 9.074 1.793 -5.077 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 0.300 0.587 -3.986 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 0.550 0.130 -4.241 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 -2.122 0.498 1.287 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 -43.642 -10.460 -7.534 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 -0.787 -7.070 -0.691 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 -2.240 -0.350 0.735 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 15.181 -2.177 -19.388 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 11.310 4.565 -18.811 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 1.531 3.025 2.800 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 1.203 1.568 4.071 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 -0.151 6.585 1.222 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 1.584 4.833 -0.446 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 0.474 -3.811 1.693 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 1.111 -8.231 -7.154 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 -3.394 2.196 3.140 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 -13.319 -1.151 8.191 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 -1.779 1.257 4.069 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 2.682 -3.985 -0.106 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 -2.231 -0.474 -5.537 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 2.191 2.071 -2.346 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 -6.614 6.236 1.089 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 -3.345 -4.474 9.206 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 5.804 -22.962 2.264 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 5.397 23.936 33.350 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 -8.267 2.713 2.938 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 17.107 19.434 -21.592 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 -1.949 -6.157 -2.149 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 1.130 0.431 1.721 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 15.049 11.807 -0.738 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 -1.570 -0.592 -9.947 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 2.179 6.056 1.376 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 16.657 4.340 -38.398 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 -0.839 -4.097 -0.298 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 -3.089 3.987 7.132 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 9.742 -4.096 5.230 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 -0.673 -0.426 4.849 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 0.130 -1.942 -1.272 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 -0.782 -7.258 -6.258 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 -0.906 -3.780 -6.496 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 3.805 1.547 3.310 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 1.795 4.729 11.368 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 13.932 -0.218 -9.047 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 -2.992 -0.224 1.569 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 2.762 0.321 -1.817 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 1.728 4.288 5.066 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 -22.492 -3.580 19.082 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 -4.565 -5.893 4.909 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 3.854 -8.047 0.504 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 2.499 6.815 0.080 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 -23.378 -11.361 -6.498 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 -3.760 -1.361 -3.594 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 -2.998 1.481 1.184 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 -0.121 -4.587 1.483 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 1.480 3.621 1.633 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 2.673 -2.937 -0.954 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 7.543 3.745 4.829 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 24.241 0.811 7.936 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 6.956 4.449 4.417 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 -1.742 0.634 -3.709 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 2.461 -7.726 6.254 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 -1.046 -3.290 1.438 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 4.287 -1.122 -4.294 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 0.302 -0.296 -12.008 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 1.508 4.332 -3.428 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 -5.662 -1.684 -5.707 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 -7.545 2.596 3.555 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 -6.252 -1.461 -5.275 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 -18.939 -9.031 22.837 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 -3.877 -0.689 8.818 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 1.143 0.062 1.466 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 7.960 -7.920 -25.132 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 -14.717 1.060 -15.402 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 3.293 -2.271 1.585 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 -2.863 8.987 -0.570 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 1.010 1.365 2.587 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 -1.668 -4.303 6.813 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 -10.231 -9.791 9.383 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 -2.417 8.094 -2.304 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 -1.845 5.426 -2.961 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 1.605 -2.253 1.627 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 19.449 6.593 -10.501 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 3.837 -1.827 -0.957 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 3.211 -1.424 5.609 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 -0.630 2.671 -5.142 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 -2.033 2.608 -5.485 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 -1.173 -4.582 -3.293 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 5.330 0.599 -3.966 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 27.933 8.612 2.548 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 12.692 -23.411 -36.207 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 -5.200 -0.129 -2.169 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 6.674 3.039 3.899 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 -0.016 -0.604 10.534 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 -8.945 -0.360 -5.584 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 -8.243 -2.913 8.892 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 -12.829 -2.475 3.991 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 0.080 -3.186 -4.070 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 2.964 12.745 -40.580 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 -0.676 0.888 -0.884 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 -0.959 -6.288 -3.306 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 3.507 3.878 -1.038 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 1.858 6.539 -3.545 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 -5.974 -8.257 30.880 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 -0.034 6.132 9.515 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 -1.938 1.952 -2.559 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 1.436 -9.876 -1.333 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 5.386 2.340 -1.928 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 1.466 -1.868 -1.583 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 5.020 -1.268 4.720 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 8.170 -4.621 0.954 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 -19.274 -31.195 -9.547 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 -5.245 -2.073 -5.947 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 -2.019 -10.309 4.212 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 -6.871 1.191 -2.568 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 0.549 11.351 -16.663 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 -8.081 8.595 -3.349 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 2.238 0.561 1.061 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 1.560 -3.986 -0.422 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 -6.838 3.447 2.793 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 4.637 5.698 4.249 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 -7.383 7.998 9.819 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 6.729 -7.939 33.966 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 8.466 -17.628 -8.912 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 -5.323 -2.929 7.825 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 -4.981 -3.337 5.485 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 -7.829 6.151 -6.384 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 11.642 3.614 -11.555 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 -0.638 24.678 -13.824 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 9.465 0.411 -0.069 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 2.921 -2.710 5.527 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 -15.427 10.153 10.202 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 5.135 -2.532 4.862 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 -3.060 -2.326 -1.123 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 -7.616 1.149 0.156 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 -6.706 4.611 -3.022 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 -4.191 2.659 -2.185 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 -15.524 21.194 4.162 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 -5.363 -5.451 0.882 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 2.978 -1.658 4.708 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 8.120 -15.811 12.846 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 0.101 9.845 4.138 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 -6.988 4.803 -12.646 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 -6.274 -1.521 2.781 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 -4.347 -16.933 -9.588 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 0.081 -3.535 6.841 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 3.526 19.074 -11.001 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 -3.195 2.167 -3.523 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 -1.845 0.759 -3.482 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 -9.984 -0.319 6.549 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 -0.773 -2.748 -0.063 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 -1.459 0.852 -2.039 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 0.602 -0.743 -3.865 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 1.937 1.197 -1.586 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 -3.468 4.668 2.695 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 15.985 1.009 2.898 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 13.710 -6.115 -0.765 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 0.709 -2.469 -4.965 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 31.264 12.122 -15.934 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 4.656 7.276 -7.461 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 3.775 8.283 2.301 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 -1.490 -0.032 -5.888 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 -1.790 0.981 0.784 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 12.565 -3.686 -3.306 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 -1.989 11.772 -15.183 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 -10.794 7.772 4.042 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 -7.571 10.075 1.831 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 -0.979 8.214 0.682 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 -3.279 7.393 -4.360 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 -15.633 21.925 -15.330 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 -2.278 22.422 -2.440 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 4.161 -6.427 -5.198 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 -0.274 2.671 -6.041 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 2.464 -0.212 -0.219 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 -7.247 7.142 -2.786 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 -3.969 9.753 -3.678 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 1.064 -2.749 1.708 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 -7.976 -14.014 26.681 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 -0.981 -1.869 3.032 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 3.580 -7.489 15.983 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 2.573 1.304 -5.865 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 -0.041 -3.714 -1.354 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 -7.348 0.875 7.886 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 -2.019 -1.649 6.875 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 -5.029 3.618 -0.140 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 -5.636 6.070 6.317 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 26.789 19.404 20.507 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 11.878 2.184 5.314 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 -0.107 -10.184 0.219 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 -10.958 -17.255 17.279 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 4.282 5.958 -1.479 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 -2.405 -2.400 -2.282 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 -10.459 23.244 3.916 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 -7.827 0.666 1.339 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 -5.130 -2.504 -5.332 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 18.827 -4.653 10.416 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 0.273 6.036 -4.094 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 -13.714 0.517 27.212 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 -4.092 12.717 -7.246 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 -4.690 0.968 -2.147 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 -26.230 6.748 9.291 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 -6.699 16.298 -13.690 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 4.511 0.525 5.301 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 -2.986 -8.702 -6.323 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 -1.056 -1.371 -7.373 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 6.582 5.910 -6.267 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 -11.996 -23.804 16.519 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 -1.271 0.406 10.091 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 -4.439 1.734 -4.683 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 -3.466 -0.759 1.109 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 24.034 -24.881 7.139 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 4.319 1.360 3.231 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 0.403 0.468 -0.887 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 -1.952 -1.386 -0.185 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 3.501 0.578 -2.179 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 5.583 -0.839 13.514 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 0.704 -4.878 -2.179 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 -14.308 2.486 -51.743 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 15.097 -21.763 -3.270 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 -1.442 -4.892 1.792 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 8.988 9.966 -31.949 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 1.152 2.087 4.957 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 -0.348 -3.570 -2.832 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 7.350 -6.700 1.233 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 -2.729 2.608 -0.917 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 -6.031 -6.337 7.467 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 -9.011 -8.832 1.655 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 0.401 -3.328 -4.573 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 0.068 6.933 6.513 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 -5.627 1.793 -2.409 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 -0.781 -4.099 2.466 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 -28.325 -22.843 6.434 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 3.023 -3.621 -12.680 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 3.592 -1.494 -2.536 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 1.314 3.745 -2.639 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 -10.948 3.594 7.814 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 -7.477 -4.256 -6.611 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 -5.435 -2.666 4.520 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 -3.107 -1.878 5.523 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 -0.708 0.281 -18.370 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 3.195 2.403 -0.810 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 2.349 1.488 -2.378 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 -4.109 7.146 -0.757 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 14.388 -6.717 -2.218 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 3.701 -0.564 -0.938 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 -3.002 -1.381 0.255 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 -3.652 2.216 3.208 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 0.417 -1.001 -5.480 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 3.426 -4.482 0.974 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 -2.694 -2.929 -4.788 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 -0.352 4.603 -4.080 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 7.645 -13.495 5.939 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 8.001 0.539 -1.423 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 11.008 19.781 -32.669 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 -2.811 5.148 -0.156 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 2.812 0.412 2.305 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 12.392 0.593 6.661 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 0.715 4.829 -3.870 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 -3.952 -3.594 3.310 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 -13.960 10.707 22.422 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 10.131 0.663 3.783 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 9.291 1.287 2.168 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 2.472 8.576 3.257 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 -3.938 2.287 4.083 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 2.960 5.448 2.693 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 -1.109 -19.349 8.981 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 -0.167 -11.262 -0.040 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 8.057 -0.770 1.395 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 3.439 -22.893 7.062 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 0.033 3.947 5.244 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 1.101 -0.957 3.084 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 -3.791 -1.504 -2.402 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 5.960 2.144 7.389 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 -1.445 9.169 -18.881 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 0.572 6.215 3.779 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 -3.269 18.545 8.271 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 2.153 -3.477 -2.559 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 -5.346 -16.770 -4.599 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 2.222 -1.159 -0.812 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 -2.571 -3.625 -3.686 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 -6.183 4.383 -7.047 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 9.174 -2.321 1.389 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 1.809 0.553 1.416 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 1.745 -4.347 -5.513 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 15.065 -18.673 -14.944 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 -1.192 4.217 -16.059 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 -1.434 1.610 0.726 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 9.880 -5.351 -23.656 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 -5.265 -7.957 0.594 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 8.326 4.172 -1.619 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 8.190 6.456 -1.153 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 3.117 0.220 3.881 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 -7.145 5.156 5.758 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 4.510 10.767 7.739 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 -9.127 3.894 -1.379 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 1.428 -2.767 1.989 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 -1.253 5.909 -0.506 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 -0.324 6.052 -2.739 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 -9.254 -5.549 -15.205 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 -3.697 -6.535 -1.769 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 -0.174 -0.666 0.489 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 4.065 9.541 -2.168 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 -13.257 -22.570 0.235 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 5.643 -6.003 0.719 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 -9.727 2.702 -6.098 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 6.326 -7.571 -1.581 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 4.958 2.160 21.141 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 -1.809 -3.434 1.611 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 -8.905 9.092 11.485 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 -9.925 -3.542 3.305 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 -25.626 -6.223 -13.060 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 -2.987 2.114 -1.130 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 1.863 -4.773 -0.617 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 3.914 1.479 7.289 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 -2.933 -0.331 -2.681 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 3.831 3.353 2.078 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 3.271 1.222 8.535 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 -19.826 -15.772 26.325 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 3.067 -23.694 10.506 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 -4.199 -1.028 -2.295 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 -3.711 -7.572 -0.768 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 -3.243 0.060 0.941 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 -0.321 -3.115 4.703 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 17.410 -7.298 22.550 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 -0.223 5.072 2.383 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 8.865 -0.185 9.029 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 -26.323 4.348 10.360 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 1.495 -1.420 -0.082 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 -10.726 -0.661 -4.750 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 -4.113 -7.875 11.402 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 -0.644 1.589 5.709 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 -2.409 0.002 8.922 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 1.161 -2.148 -35.300 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 -2.629 0.316 2.114 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 4.423 0.214 2.680 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 -24.954 -11.429 31.689 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 -1.637 -5.392 1.092 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 -1.334 -1.631 -3.356 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 -2.555 0.532 2.164 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 -4.034 -7.867 -10.481 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 4.111 -3.580 -0.763 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 -0.104 -9.703 -17.227 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 4.960 0.636 2.873 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 13.296 -0.114 -2.201 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 -5.445 -0.185 -9.992 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 2.100 -2.821 -1.057 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 2.684 1.802 1.554 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 -1.069 -3.106 1.651 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 -4.720 2.619 -1.247 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 -0.864 1.909 -0.778 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 -3.123 4.552 -3.291 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 8.052 41.964 -3.044 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 1.613 -0.518 4.309 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 20.083 12.922 3.224 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 -1.248 -1.987 2.731 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 5.026 -1.331 4.910 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 -10.116 -6.401 12.075 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 10.613 -10.646 -2.930 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 -3.604 4.106 3.704 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 -9.272 9.817 8.739 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 1.351 -4.024 -0.334 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 -0.013 -4.015 9.493 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 7.059 -0.872 4.601 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 -2.960 2.515 -1.918 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 2.717 -2.306 -16.260 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 9.303 1.096 -4.779 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 -0.267 2.519 1.897 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 6.400 -5.404 3.676 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 9.075 -6.961 6.970 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 0.339 -6.265 -7.474 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 1.582 5.484 2.934 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 -9.293 -8.549 7.662 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 6.970 1.247 -3.939 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 -1.667 -2.374 -5.205 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 -7.091 -7.232 -23.782 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 9.385 -3.430 -3.880 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 26.908 6.640 -6.479 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 0.765 -0.546 0.209 1.00 0.00 SBOX O ATOM 1502 P URA A 54 1.767 3.043 -1.684 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 3.163 5.441 -2.684 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 1.487 1.489 2.983 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 1.118 2.570 3.586 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 4.437 0.530 -0.457 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 -18.038 -2.358 -20.913 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 -3.916 18.293 -4.105 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 6.545 2.056 -2.920 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 12.310 3.284 -11.218 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 -2.121 -0.215 -6.479 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 -1.544 -2.316 -9.759 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 -11.034 17.467 -12.463 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 9.639 5.461 -1.286 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 -4.640 -5.333 -0.335 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 14.360 -0.715 -5.578 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 -5.512 -5.782 -4.298 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 21.052 -20.158 -18.633 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 -5.896 -2.337 -0.606 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 -6.426 0.318 -3.278 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 -1.803 -1.612 0.614 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 3.729 -29.523 -19.714 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 -5.070 -2.923 -5.553 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 -8.115 -2.087 1.826 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 -6.158 9.301 0.246 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 -13.379 26.113 -12.342 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 -8.429 -3.572 -0.009 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 26.229 14.535 6.583 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 -4.060 4.642 5.026 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 -2.563 33.501 -27.912 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 1.991 7.970 4.511 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 -3.830 -0.491 1.806 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 4.495 2.505 -5.689 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 -0.770 -0.259 -4.802 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 3.830 6.127 5.738 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 -1.587 -2.417 -2.025 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 11.875 -4.980 9.234 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 -36.602 25.001 -20.163 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 -2.489 -4.593 1.909 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 -0.236 20.607 -16.070 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 -6.954 -0.453 -2.700 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 -2.883 -3.592 5.349 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 0.389 1.002 6.038 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 3.086 0.867 -4.829 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 -11.583 4.924 -5.287 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 -13.722 3.826 -6.747 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 12.474 -3.774 -1.280 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 3.918 4.921 -4.564 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 1.165 4.588 0.949 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 1.064 9.028 0.725 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 -2.217 -5.679 4.666 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 13.526 -8.274 4.743 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 7.015 -1.635 -1.777 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 0.101 -1.657 -1.403 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 13.281 -1.449 -7.278 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 -10.473 9.598 14.676 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 7.806 1.909 1.235 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 5.218 -5.001 -3.349 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 -4.408 6.114 6.688 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 -0.155 -16.075 14.559 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 1.162 -0.113 1.610 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 -2.648 3.400 -7.174 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 -3.147 2.744 4.312 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 -16.279 7.733 21.154 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 7.864 1.631 6.285 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 2.432 -3.872 1.006 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 -10.411 3.573 -3.777 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 3.154 -0.799 -4.861 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 8.427 -1.790 -0.089 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 -6.337 6.960 2.595 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 -15.936 13.309 -2.715 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 -13.289 12.490 -13.469 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 2.119 0.375 -10.112 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 -2.574 19.558 -2.117 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 -2.939 0.635 0.363 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 -2.500 4.272 -6.300 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 0.579 10.623 0.407 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 -3.657 -0.090 1.642 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 -3.973 6.823 -11.232 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 3.201 9.772 13.177 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 -2.736 -2.118 2.665 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 -3.209 10.516 2.896 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 -5.974 0.586 -3.063 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 -1.589 -2.882 2.707 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 -6.973 1.605 0.755 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 -8.459 -7.734 35.845 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 0.587 -8.291 -0.453 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 0.483 -3.123 -7.658 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 -9.309 11.059 -22.608 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 2.465 9.419 -8.492 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 -6.390 2.347 0.637 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 4.906 0.417 -6.678 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 0.227 -6.156 -0.454 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 -0.288 -8.064 -0.470 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 -1.088 -0.890 -2.716 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 -18.839 -0.402 6.623 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 3.210 5.233 -4.337 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 7.113 3.159 8.867 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 1.802 8.000 7.605 1.00 0.00 SBOX O ATOM 1600 P URA A 57 -1.428 0.620 3.351 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 -1.317 -2.290 -4.844 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 -3.546 4.412 -3.387 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 -3.825 -1.283 0.649 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 -10.930 -1.388 4.795 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 -17.802 -2.032 2.259 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 -1.127 13.715 -42.489 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 -4.650 0.236 5.397 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 -9.294 18.588 19.610 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 -4.416 -1.190 5.834 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 1.228 3.064 6.971 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 -23.973 -4.785 -1.030 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 -2.700 -0.006 -2.009 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 0.194 3.548 9.546 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 6.884 -1.208 4.821 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 2.589 -5.141 -0.649 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 4.262 -12.171 -18.305 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 -11.380 7.335 -6.081 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 1.772 -3.354 -0.045 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 5.157 0.553 5.382 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 3.843 -4.809 -19.603 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 -1.994 -1.632 5.394 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 -0.359 -3.866 -2.795 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 4.804 2.427 4.066 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 -13.347 8.766 21.391 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 1.341 0.686 -1.015 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 -19.946 2.977 10.357 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 1.141 3.905 -5.503 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 9.112 13.130 -12.850 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 -4.307 1.278 4.631 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 -3.775 -3.554 0.797 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 -4.797 -1.210 0.044 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 -11.288 -4.093 -2.198 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 0.120 -8.517 1.017 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 6.438 -4.631 -1.719 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 -14.257 -5.440 2.312 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 7.970 -2.054 -1.490 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 -1.137 -1.066 1.226 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 7.168 -6.218 -15.478 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 -0.082 -2.948 1.338 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 5.383 -3.571 3.954 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 -10.517 16.550 1.898 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 10.181 -9.873 3.751 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 4.004 -0.533 7.455 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 4.778 -6.607 8.099 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 0.890 6.348 8.485 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 0.726 -9.037 2.492 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 -2.225 1.256 -7.235 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 -5.113 -4.405 -6.919 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 2.110 2.819 -4.071 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 6.184 -20.555 -24.490 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 -2.167 1.307 0.991 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 -8.527 0.291 1.592 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 13.923 3.369 -18.787 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 -11.235 -1.576 -10.769 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 4.865 4.432 6.974 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 -1.170 7.839 7.707 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 2.043 -2.836 5.366 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 -43.698 -11.173 -15.245 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 12.199 1.495 6.633 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 15.155 -10.707 4.060 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 0.856 -0.700 5.912 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 5.746 10.138 1.617 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 0.071 -3.288 0.924 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 2.029 2.256 -1.507 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 0.386 -2.890 2.478 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 -6.272 -1.730 -3.105 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 -3.567 -5.686 -8.202 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 7.820 0.560 -1.907 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 29.497 36.756 14.425 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 26.680 -13.625 32.629 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 3.928 2.782 -0.230 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 -6.976 7.286 3.806 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 -10.312 1.670 3.289 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 -2.900 2.322 -0.913 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 -7.608 -7.631 -9.261 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 -3.451 -5.142 -3.880 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 -1.617 2.992 -0.693 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 -8.546 -4.616 -2.127 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 -4.888 -0.219 0.992 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 -11.862 12.597 3.977 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 -6.909 -2.982 0.036 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 4.729 -1.132 -2.546 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 -10.555 -17.275 -2.183 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 -7.595 -11.486 24.183 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 1.281 -4.123 -6.868 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 -0.847 8.949 0.170 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 -5.923 0.468 10.593 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 -5.222 2.438 -4.628 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 1.493 -1.283 -1.735 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 -2.114 1.331 1.577 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 19.184 -12.782 -11.349 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 -5.229 -0.839 -6.527 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 -4.336 11.032 0.379 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 3.111 -7.933 -0.168 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 0.098 -3.699 0.729 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 0.107 4.674 5.661 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 -0.854 -2.969 -6.070 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 6.737 -0.859 -8.429 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 5.162 2.515 5.124 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 -5.005 1.105 0.043 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 -26.438 -15.875 10.192 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 -4.628 -9.412 0.526 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 -4.238 -16.620 20.062 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 -4.764 2.264 -3.905 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 -7.589 -1.275 2.650 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 -6.504 1.464 4.884 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 -3.381 4.372 3.118 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 -7.332 -7.270 1.383 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 -6.479 -3.034 33.309 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 -8.014 -4.774 -2.910 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 2.008 6.628 -12.687 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 -2.291 -2.283 6.278 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 -5.604 2.417 -4.805 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 -20.143 -1.730 17.355 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 -31.082 3.226 27.577 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 3.276 -2.568 2.642 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 4.605 0.027 5.713 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 0.755 -3.558 -1.674 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 -2.476 1.858 6.602 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 -0.445 -5.116 2.601 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 -0.112 -0.822 -0.450 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 -0.773 3.209 5.162 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 -6.000 -0.057 -1.360 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 -21.437 4.886 -4.412 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 -5.596 -2.167 2.387 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 -4.637 1.430 -1.303 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 4.458 -0.992 2.030 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 3.176 -0.709 5.774 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 1.257 3.354 8.670 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 -0.039 -7.491 3.906 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 -27.084 18.934 4.598 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 -1.249 -30.063 3.929 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 -9.243 -3.291 0.221 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 -1.005 17.517 3.041 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 -10.586 1.988 -3.247 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 -5.215 -0.652 11.647 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 12.166 34.537 5.000 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 -0.895 -0.626 -1.223 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 2.980 7.718 9.875 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 3.416 4.282 13.794 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 1.216 1.125 -2.637 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 4.801 -2.538 0.151 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 5.342 4.204 8.910 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 -6.726 -6.196 2.550 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 6.001 22.143 -11.892 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 14.557 -9.201 -14.475 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 2.371 -4.539 6.340 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 7.359 -3.933 -3.860 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 -13.153 4.544 4.936 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 2.409 -1.363 -0.581 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 -3.357 -0.177 7.003 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 -0.502 4.839 -5.906 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 -11.931 -12.868 6.749 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 -6.801 -4.620 3.670 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 -8.033 -4.256 0.317 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 4.422 -3.067 -4.922 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 7.100 21.491 -3.479 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 2.215 -6.659 5.481 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 -3.486 2.547 9.441 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 -1.075 4.531 -4.388 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 2.562 -0.995 3.563 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 2.324 -7.029 -8.773 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 -6.415 2.115 2.050 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 -28.233 2.741 20.324 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 -6.913 16.842 8.672 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 7.511 -15.492 7.064 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 10.128 -7.427 -1.292 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 -7.240 9.147 -2.991 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 -3.324 3.450 -0.467 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 -4.230 27.850 -5.887 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 0.082 -3.001 3.420 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 -4.724 -7.336 -0.691 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 -21.509 -32.797 0.816 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 -0.957 7.105 9.842 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 1.408 2.982 1.593 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 -5.767 -1.093 3.856 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 7.986 4.423 -5.528 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 7.744 5.770 -6.135 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 0.069 -16.422 6.978 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 -3.569 2.933 -1.528 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 5.706 5.955 -4.368 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 -9.424 6.734 -7.975 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 -6.654 3.926 -6.918 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 -7.856 -2.039 -1.882 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 0.733 3.828 -0.219 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 1.228 -4.128 1.953 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 0.289 0.770 -4.174 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 13.390 14.779 1.935 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 3.577 -1.788 -0.363 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 -29.848 6.905 18.325 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 5.345 -1.065 -4.486 1.00 0.00 SBOX O ATOM 1792 P URA A 63 -3.091 -0.099 2.142 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 5.067 -3.301 -3.163 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 -3.203 -1.378 7.334 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 1.490 3.519 1.104 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 -1.523 -7.947 -8.144 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 -11.633 -17.933 3.558 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 -6.161 -4.785 6.294 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 3.131 -10.601 7.892 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 8.812 8.846 -11.154 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 -2.836 -3.851 2.911 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 -3.453 -5.287 -3.203 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 -8.509 -15.706 -8.470 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 6.718 5.703 7.565 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 0.468 4.895 3.671 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 14.088 -1.911 19.997 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 -6.690 -1.764 -4.875 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 -1.712 16.752 -4.650 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 6.790 7.134 -3.231 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 0.971 -3.671 1.101 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 -4.451 -4.950 4.372 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 -16.612 5.888 8.684 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 1.968 -0.725 -2.962 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 1.790 -5.125 -0.898 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 0.854 -2.105 -10.006 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 11.967 -36.987 -48.063 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 -3.254 -5.110 2.516 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 -7.420 1.423 -0.351 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 3.473 -2.425 5.838 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 -11.426 -10.513 -7.149 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 2.219 -3.129 -2.449 1.00 0.00 SBOX O ATOM 1822 P URA A 64 -4.810 0.629 -1.968 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 -1.786 -8.185 8.998 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 7.914 -2.041 2.245 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 -1.146 5.939 -3.774 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 -1.075 -0.271 2.383 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 -9.406 -8.951 15.634 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 4.116 -2.260 2.516 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 9.727 -1.436 -1.924 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 -1.817 1.589 -16.043 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 -6.071 0.293 -1.722 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 -8.051 0.573 1.202 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 -14.254 18.068 -7.451 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 4.508 -2.888 -2.294 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 0.064 -2.692 -3.286 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 -3.590 -7.715 -5.278 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 0.776 2.818 6.112 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 -3.144 13.493 0.496 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 -2.513 -0.880 -3.640 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 4.072 0.817 9.139 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 -1.323 -2.752 6.358 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 10.606 8.689 -6.493 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 -2.841 -0.078 1.556 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 -4.339 -2.859 -1.206 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 -5.940 -0.170 5.499 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 -9.909 1.119 -7.923 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 0.807 2.628 -5.729 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 7.429 0.454 -22.000 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 0.527 3.785 1.316 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 8.333 -10.288 -2.974 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 4.189 -0.348 2.025 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 -1.019 -5.541 -3.367 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 -0.366 -0.460 5.249 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 5.247 -1.915 -0.183 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 -0.936 0.238 -2.134 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 -2.671 0.286 1.462 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 -7.499 0.927 4.145 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 -22.925 -14.102 -20.264 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 -4.235 3.600 -6.838 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 3.907 -4.269 -34.172 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 0.071 0.457 -1.915 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 3.706 -0.384 3.765 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 -1.588 13.215 3.427 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 0.647 -3.829 -0.267 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 4.670 5.270 -7.426 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 35.022 14.444 19.768 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 -0.726 -1.709 -1.813 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 -4.660 -2.898 2.418 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 0.564 -1.364 5.296 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 0.561 -2.362 -5.215 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 -12.031 11.349 -25.579 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 15.544 -11.818 -8.073 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 0.847 -2.058 -3.019 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 -4.037 -4.444 -3.980 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 0.585 -3.180 -2.535 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 -1.501 4.613 -0.460 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 5.010 5.378 -16.038 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 -5.764 4.584 3.097 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 -16.541 -0.785 -20.395 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 -3.917 -3.428 -1.775 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 7.825 -1.049 19.743 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 2.258 -0.147 6.873 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 -2.689 -1.048 0.402 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 3.278 3.739 4.445 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 4.028 1.471 3.669 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 -1.310 7.132 -2.822 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 -1.166 -3.395 3.841 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 -1.353 -3.414 3.515 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 -12.744 11.636 8.388 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 -0.673 -2.400 -0.899 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 -1.901 13.984 -9.538 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 4.304 2.349 1.703 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 -4.773 1.576 3.901 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 -15.351 -17.854 5.966 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 7.398 -3.653 -1.686 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 4.262 -2.782 -7.354 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 17.328 16.996 3.101 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 0.491 -7.470 3.499 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 -8.115 -30.535 34.151 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 -6.889 -2.544 -0.401 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 -4.948 -6.296 1.857 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 6.441 31.621 3.571 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 0.546 -10.813 7.276 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 -1.513 -2.656 2.983 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 0.581 9.499 3.074 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 -3.337 4.068 -2.224 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 -4.713 -0.483 -1.708 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 19.447 -1.292 -14.766 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 7.175 6.028 -10.932 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 4.381 37.205 24.136 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 6.417 -0.608 7.705 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 6.169 8.259 14.631 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 -2.674 -0.525 -9.499 1.00 0.00 SBOX O ATOM 1914 P URA A 67 3.463 0.735 -0.019 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 2.094 -6.362 -1.562 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 0.334 2.522 -0.311 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 -3.883 3.035 -1.024 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 2.500 -4.916 6.731 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 -7.158 5.285 13.091 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 5.665 -2.271 10.614 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 -7.825 8.219 -0.906 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 20.219 24.241 -12.785 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 6.896 -0.108 3.508 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 -0.435 -8.108 -1.675 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 1.239 -12.432 -0.016 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 1.268 9.532 7.220 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 -7.607 -4.388 3.067 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 -9.857 0.272 14.208 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 5.865 -3.419 1.357 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 12.002 -29.100 21.911 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 -3.438 6.694 -1.408 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 5.131 -4.449 4.196 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 -3.418 2.417 -4.608 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 11.512 -12.668 7.769 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 8.791 -4.583 7.315 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 -1.454 1.647 -3.625 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 5.066 5.693 -1.883 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 5.282 12.260 -6.129 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 0.168 1.250 -8.196 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 -21.057 10.363 -0.870 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 -0.188 4.215 -4.120 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 3.760 15.699 4.077 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 -3.593 0.955 -15.160 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 -5.233 -4.734 3.244 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 -6.642 2.907 5.925 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 -3.703 3.033 1.288 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 1.786 1.477 -2.358 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 2.861 -7.812 0.478 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 14.769 5.734 -1.366 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 8.865 0.227 26.957 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 -4.820 0.527 -6.508 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 25.654 13.817 18.263 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 5.974 6.800 -7.663 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 -4.293 -2.537 0.320 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 -12.232 16.498 2.117 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 -6.428 -3.939 -3.449 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 5.274 0.050 -4.997 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 17.715 -7.829 13.341 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 1.169 5.970 -5.114 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 1.983 10.464 -6.188 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 -4.322 -0.449 1.088 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 1.366 -0.086 -1.745 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 -0.114 -5.616 1.358 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 -10.645 -2.901 2.898 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 6.307 1.157 0.144 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 6.290 1.222 6.927 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 1.969 1.840 4.008 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 13.284 6.516 21.416 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 -3.769 -3.632 0.968 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 1.785 -0.963 2.206 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 -8.934 -5.863 3.646 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 1.271 -17.498 31.702 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 -1.298 3.520 1.558 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 4.882 10.276 -6.262 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 1.073 -1.292 2.839 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 -27.717 0.462 5.715 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 -5.886 -1.610 2.895 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 2.304 -0.900 3.994 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 2.152 5.625 2.987 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 -3.368 0.366 1.630 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 -3.543 -0.157 2.344 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 1.267 4.222 9.596 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 -6.200 9.475 -15.964 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 -0.501 8.067 -31.722 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 2.674 9.565 0.444 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 0.314 8.268 2.638 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 -7.892 -8.516 5.620 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 -6.447 -2.570 6.174 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 -32.235 21.554 -3.091 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 3.545 0.236 -4.214 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 8.764 -5.028 -8.570 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 11.288 -6.134 -2.986 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 -5.704 -2.585 0.317 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 13.859 1.499 1.081 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 -4.546 1.174 -4.095 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 9.179 -7.144 1.126 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 21.140 -7.856 14.895 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 4.523 4.229 3.242 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 -4.165 -0.283 11.132 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 -0.279 -9.495 8.446 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 7.474 -1.478 -3.342 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 -6.691 -7.662 2.735 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 39.361 -28.570 -39.003 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 4.652 2.554 0.079 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 -8.124 31.791 2.113 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 1.641 1.662 -4.410 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 7.637 8.150 -0.275 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 0.502 -2.267 -0.320 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 0.381 -1.185 2.706 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 0.033 6.500 1.820 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 8.265 -4.107 3.585 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 -3.223 0.869 6.739 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 -0.289 9.761 -1.717 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 -0.804 15.018 -6.948 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 12.615 14.046 -6.153 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 0.566 -7.352 7.252 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 20.623 17.233 12.976 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 -2.835 0.182 8.533 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 -4.500 1.755 -2.496 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 1.378 -11.925 8.493 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 3.855 -4.408 2.235 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 0.506 3.624 -1.033 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 7.194 35.290 4.726 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 -4.036 -0.814 2.421 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 -8.730 1.595 -2.608 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 3.524 -1.510 2.365 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 2.152 4.311 -3.707 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 -0.782 -4.101 0.213 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 -6.239 -3.461 -17.421 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 10.917 -7.915 6.157 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 1.212 4.190 3.279 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 10.328 2.120 19.009 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 2.736 4.826 1.424 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 -10.430 -1.204 4.847 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 3.759 0.351 -2.875 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 6.646 11.158 1.225 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 1.236 -6.083 -5.150 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 0.844 11.553 -11.997 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 5.646 -1.332 -3.820 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 5.267 -10.192 7.581 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 12.565 -1.267 -2.417 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 1.497 -2.365 -1.074 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 5.413 1.717 -6.553 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 3.158 -0.120 -5.036 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 2.612 -7.583 3.112 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 -1.059 -4.313 0.379 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 -8.729 4.579 3.000 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 19.840 -8.721 -11.812 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 13.147 7.411 6.776 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 23.397 -45.552 5.212 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 1.437 3.139 -4.086 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 17.521 5.440 -2.539 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 0.767 -25.136 20.223 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 -8.925 4.162 0.432 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 1.662 -6.344 0.021 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 14.380 7.041 -12.467 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 4.044 -1.320 0.888 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 -4.689 -4.570 -5.200 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 8.821 1.512 -5.015 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 -6.917 -6.653 -5.118 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 1.739 -1.817 -0.853 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 -12.623 -2.694 14.283 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 -0.873 -0.632 4.563 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 -7.868 -9.242 -2.378 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 -14.117 19.167 9.968 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 6.121 -23.203 -4.307 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 -0.080 0.215 -0.819 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 -10.619 1.176 -12.939 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 -1.171 1.505 -1.438 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 1.957 21.415 -3.936 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 5.080 -2.289 -5.443 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 8.955 -1.231 -8.662 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 -2.093 -0.682 2.954 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 5.477 5.277 -15.792 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 2.891 -6.500 -0.975 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 0.270 6.450 5.978 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 -1.377 -6.441 0.267 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 -0.161 6.222 -1.129 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 2.588 1.764 0.782 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 2.736 5.902 1.695 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 7.443 0.886 3.596 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 17.857 0.491 23.472 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 0.163 3.055 -8.906 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 4.326 -24.713 -3.962 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 -0.968 1.822 -4.140 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 0.434 7.846 0.038 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 9.339 14.049 3.800 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 -0.765 0.702 -3.822 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 -1.382 -5.582 6.490 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 15.119 -9.909 -4.970 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 2.603 -2.101 -5.056 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 -1.642 -11.478 -8.983 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 5.574 6.107 2.681 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 -8.547 -5.731 -7.312 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 5.858 8.680 11.039 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 -12.209 -11.359 9.196 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 -0.833 -4.012 -4.734 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 3.527 6.536 -1.068 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 3.639 -1.544 4.134 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 -2.755 -7.720 -5.863 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 4.156 4.329 2.320 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 -1.486 -1.273 0.613 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 29.205 1.267 3.284 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 3.255 1.993 5.951 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 -2.992 -8.784 -5.363 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 -2.054 0.746 -11.092 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 0.260 -2.699 -1.636 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 -0.872 5.753 -3.993 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 -1.731 4.737 0.494 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 6.248 -3.398 2.856 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 -0.634 -2.154 -3.338 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 -10.888 1.885 -7.684 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 33.286 -26.218 -8.273 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 6.160 0.541 1.712 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 -2.285 -22.182 -16.382 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 5.184 -1.502 4.256 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 3.472 0.779 -8.104 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 -1.946 -1.829 -6.049 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 2.300 -5.673 0.664 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 6.142 3.700 4.207 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 -8.142 -14.136 -15.390 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 2.527 6.071 0.441 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 3.283 5.356 1.692 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 -0.309 -3.156 -1.723 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 -1.044 -0.965 -0.676 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 -0.631 -0.954 3.121 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 -23.294 -7.077 -14.203 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 1.477 0.784 0.657 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 5.591 0.981 6.110 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 -19.033 -4.100 -9.222 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 4.252 -6.610 -14.571 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 3.014 10.755 2.046 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 1.911 8.163 1.354 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 -1.243 -0.235 3.377 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 7.939 19.954 9.328 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 4.923 10.617 -4.475 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 -9.078 19.354 -13.276 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 -2.716 -0.282 -4.337 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 19.395 -9.106 -7.678 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 1.818 5.362 3.796 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 1.316 0.298 -2.303 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 -1.132 -2.225 -0.530 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 -3.569 -2.150 2.884 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 6.279 0.492 -6.294 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 -3.083 7.172 -4.460 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 -19.060 3.191 1.975 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 14.554 -27.763 -7.003 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 -5.087 -1.000 -9.238 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 -2.764 19.312 -8.058 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 -1.042 -1.344 -2.194 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 0.898 -7.503 4.288 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 21.742 14.947 25.207 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 -4.115 -4.499 3.843 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 -2.259 9.921 -1.842 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 3.398 -5.790 -9.807 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 8.182 3.344 6.775 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 -4.669 -8.084 -3.302 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 -1.501 1.602 -5.969 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 3.428 2.123 0.235 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 0.612 -7.245 -7.236 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 -4.959 6.854 -1.408 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 1.915 -4.386 3.293 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 -0.676 1.756 0.679 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 16.346 -31.751 1.299 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 5.901 11.972 -10.029 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 2.872 -2.776 -0.993 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 -1.875 7.501 -2.342 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 5.878 -4.780 2.075 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 8.453 -11.576 -3.598 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 -7.222 1.318 3.460 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 1.526 21.123 13.798 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 -6.118 -2.402 -0.437 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 -19.778 -3.964 -15.278 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 -1.952 -8.145 5.671 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 -1.799 0.676 6.079 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 0.015 -7.899 -6.725 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 -8.438 0.249 1.633 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 -4.777 -1.458 -2.424 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 -2.211 -6.762 0.692 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 14.742 -8.061 11.440 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 2.769 -22.501 3.352 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 3.743 -1.196 4.728 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 -8.506 -12.024 -0.120 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 1.164 -0.685 -5.932 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 1.473 2.716 -8.181 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 0.780 -25.219 3.641 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 -2.063 -10.441 2.454 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 -4.335 -10.128 -2.951 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 3.799 -29.988 -6.282 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 2.053 -3.387 -3.207 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 -10.071 6.497 -0.733 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 1.429 -12.226 0.211 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 -3.404 -1.058 -1.880 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 -19.870 -34.093 9.452 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 12.883 21.294 14.752 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 -2.849 -3.454 -3.770 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 -14.110 3.468 2.660 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 12.509 -5.272 14.943 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 0.617 3.663 2.763 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 -4.976 1.099 -1.168 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 -6.165 -1.647 -5.819 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 6.472 2.450 12.253 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 7.097 0.826 6.093 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 13.183 0.735 -1.843 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 2.968 -0.780 6.266 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 3.121 10.496 27.017 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 0.278 4.738 -5.721 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 -1.982 0.082 2.514 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 6.214 1.593 1.652 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 -3.931 1.731 -0.137 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 -5.125 -1.661 -1.223 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 1.361 3.286 11.353 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 -1.102 17.261 -18.856 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 8.309 -5.578 3.759 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 -2.295 7.258 3.518 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 -23.424 21.163 -26.893 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 -3.613 -2.769 -5.270 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 0.448 3.349 6.994 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 -17.360 -1.606 8.374 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 -2.773 -0.252 -0.832 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 1.709 -6.390 5.199 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 8.085 16.526 2.995 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 4.730 4.531 -1.091 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 5.143 -0.188 3.380 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 10.943 -5.795 2.375 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 -3.086 3.061 -5.053 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 -21.356 -5.147 26.806 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 4.915 26.735 -1.878 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 8.844 -0.823 -3.673 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 -4.986 3.018 0.090 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 31.531 14.143 -4.570 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 -4.365 -0.241 1.619 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 2.336 -0.937 0.937 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 1.097 -4.408 1.582 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 17.432 -27.225 9.899 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 -4.575 4.299 7.795 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 1.377 23.023 -3.045 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 1.907 -3.251 -10.781 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 -19.016 0.476 1.552 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 -1.213 -2.898 -3.267 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 -2.601 0.962 -0.686 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 3.156 0.354 2.852 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 -1.245 1.480 4.501 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 6.988 -2.993 0.219 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 -3.681 -3.021 -5.483 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 -10.124 18.784 -45.465 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 3.507 4.140 -26.031 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 12.176 -4.275 -0.254 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 8.363 -15.796 -6.044 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 0.972 0.811 2.850 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 2.679 -2.525 -4.684 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 -3.430 -9.231 -1.168 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 2.720 -4.867 -5.702 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 -1.845 0.588 -1.241 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 0.136 34.054 -7.863 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 0.034 0.640 -2.924 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 -1.680 2.873 4.276 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 -0.189 3.034 -2.833 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 0.127 -4.777 -3.823 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 -4.080 -42.054 13.776 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 12.034 9.804 -6.847 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 -6.592 1.782 -3.266 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 -1.932 -1.848 4.823 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 -9.986 1.193 13.274 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 -4.708 -3.840 13.315 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 -3.000 -4.258 -8.261 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 -4.429 1.072 1.681 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 -22.790 21.163 4.354 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 -1.258 4.960 4.509 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 2.737 17.515 0.530 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 -5.667 -0.046 -4.996 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 -23.515 -4.527 10.657 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 -5.677 -0.345 -0.816 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 -1.217 -4.252 2.142 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 3.487 -3.812 5.508 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 -8.255 -1.469 -2.615 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 6.156 -4.794 7.232 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 -3.423 -6.753 -4.396 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 -1.738 14.064 -5.845 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 -6.084 -7.809 -1.083 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 2.435 1.027 -0.878 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 -5.394 -3.632 9.333 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 3.782 3.372 8.751 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 -3.089 -6.163 -1.820 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 -17.232 6.391 -1.496 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 9.733 10.743 1.490 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 2.337 -2.208 5.699 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 28.426 -15.748 3.199 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 -3.212 1.520 -2.681 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 1.584 -13.177 9.254 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 -1.616 2.411 -3.767 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 -4.297 0.369 2.363 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 9.450 -32.444 -13.840 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 -5.242 2.820 -17.439 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 4.772 -0.246 -5.458 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 3.727 -3.446 -1.964 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 -5.552 -3.214 -8.007 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 10.514 -10.945 1.954 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 2.315 -17.480 20.251 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 1.700 -5.979 -4.453 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 5.675 6.374 -5.288 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 -3.588 -2.673 -3.522 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 -20.225 -18.981 -8.344 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 -3.538 -2.181 -5.026 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 -5.400 -2.545 1.705 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 2.288 4.777 -5.908 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 -1.366 0.655 -5.751 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 2.092 2.257 -2.114 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 1.677 3.830 -6.034 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 18.987 -21.381 -4.373 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 8.098 0.991 16.481 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 -8.454 -4.020 -3.665 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 -14.968 24.165 2.964 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 -3.874 -1.916 7.735 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 1.274 -1.137 -0.428 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 21.432 -13.515 -23.255 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 0.687 -7.726 2.608 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 0.000 2.404 -4.518 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 -4.882 4.796 -2.060 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 4.885 1.737 -0.518 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 2.316 2.165 -1.531 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 7.659 2.137 -6.275 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 0.669 1.730 -1.186 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 -9.284 0.511 1.981 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 1.855 0.553 -5.381 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 4.564 -4.203 1.136 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 -8.922 -2.642 -3.044 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 -3.470 14.420 11.080 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 -4.530 -11.041 -27.341 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 8.795 2.916 -0.954 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 -9.794 -3.350 -1.021 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 2.671 -12.547 0.203 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 2.934 -16.401 6.762 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 0.019 0.884 -2.947 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 5.394 14.139 -10.537 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 -9.048 -2.669 -7.852 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 -1.699 -8.537 -1.330 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 -1.926 1.302 0.245 1.00 0.00 SBOX O ATOM 2339 P URA A 80 0.018 -1.231 5.301 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 0.035 -1.816 -1.312 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 0.765 -1.239 5.245 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 -5.213 1.541 0.046 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 1.258 -3.860 -3.487 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 -10.679 0.869 0.519 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 5.120 -2.770 2.032 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 2.246 -2.002 1.749 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 -18.242 24.150 -9.467 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 8.745 -6.897 -0.453 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 -2.569 1.297 -3.027 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 -3.265 11.135 24.038 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 3.882 3.253 7.484 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 -4.609 3.297 0.481 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 -12.119 -12.731 -10.646 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 0.878 -0.718 -5.572 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 18.425 10.343 18.807 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 0.838 10.211 -8.312 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 1.850 5.673 -2.731 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 -3.050 -7.770 7.479 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 -9.334 -11.204 12.210 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 1.584 -1.842 4.812 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 -0.061 -1.468 1.766 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 -3.200 -2.420 -2.023 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 -8.880 6.552 1.069 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 -8.154 -8.209 -2.228 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 -5.816 -9.472 -5.085 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 -7.139 1.552 3.903 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 11.977 -5.616 -4.873 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 0.427 2.453 -1.607 1.00 0.00 SBOX O ATOM 2369 P URA A 81 5.174 -3.990 0.175 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 -3.642 0.723 -0.167 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 -7.270 -6.997 6.371 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 -3.638 3.338 8.452 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 -12.525 -1.974 -5.163 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 -11.016 -7.663 -1.075 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 5.301 -5.478 11.141 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 0.791 5.507 -0.827 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 -4.504 11.646 -1.660 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 0.387 -1.426 -2.418 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 0.814 1.056 -2.050 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 13.759 -5.526 -33.260 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 0.493 -3.344 -0.246 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 0.911 -4.923 -2.926 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 1.023 -5.142 -3.822 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 5.095 5.920 -1.709 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 5.297 6.700 0.063 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 -1.359 10.245 -7.423 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 -3.470 -3.859 -0.636 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 -5.944 -6.685 -0.353 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 -2.690 -7.308 -22.603 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 3.919 1.845 -4.791 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 -8.838 -1.796 -7.156 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 5.444 -0.505 -7.484 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 7.274 1.301 -3.814 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 -2.252 -5.186 -0.314 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 8.261 -27.280 7.148 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 0.340 -1.521 -0.746 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 0.477 17.974 -16.254 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 5.936 6.550 -0.196 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 0.423 2.916 -4.578 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 2.972 0.125 -6.522 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 11.052 4.362 3.353 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 -1.219 1.951 2.721 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 -3.063 -4.632 -1.134 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 -4.129 -5.440 25.254 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 -12.925 -15.497 6.302 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 -3.226 3.574 -0.859 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 1.624 4.624 -0.114 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 -9.855 7.103 3.526 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 5.625 -6.062 -5.093 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 -10.172 -14.460 -6.786 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 -5.488 -0.093 3.692 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 -4.482 -2.263 0.892 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 1.312 15.060 -1.018 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 -2.125 1.749 5.562 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 3.979 2.850 -3.234 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 -0.729 -5.766 -3.722 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 -1.961 -6.351 -0.579 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 3.028 4.866 -2.694 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 17.110 15.020 24.137 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 -1.579 -1.615 -2.853 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 8.312 8.000 2.486 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 -4.899 26.516 -22.696 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 23.375 -18.443 -8.684 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 -0.359 3.740 1.970 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 4.049 2.478 -1.015 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 -4.065 -3.189 8.167 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 -7.409 -7.445 1.868 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 10.268 1.336 -9.917 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 17.915 4.647 7.779 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 -2.517 6.015 -3.518 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 0.642 1.220 0.945 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 1.289 -4.878 -3.559 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 3.962 -1.230 -2.399 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 5.076 -3.988 6.486 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 0.478 0.899 1.874 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 -4.119 7.471 0.358 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 -12.722 -6.532 -6.543 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 -9.505 -3.470 -8.619 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 6.338 18.640 9.818 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 -0.660 -6.832 -3.590 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 14.065 19.978 7.540 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 4.077 5.763 2.434 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 -5.694 -0.725 -2.132 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 35.289 10.900 -9.247 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 -11.555 0.635 1.550 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 1.812 0.503 2.653 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 -3.758 27.294 -5.874 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 -4.816 -2.768 -4.039 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 -3.552 -2.768 3.721 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 -2.267 3.843 -5.730 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 2.737 4.285 -4.194 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 -2.693 16.266 -6.692 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 5.190 9.711 -12.035 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 4.881 -0.016 -4.948 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 2.824 -2.101 0.402 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 2.129 -5.214 -2.494 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 7.997 -4.178 11.365 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 2.043 3.563 2.121 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 -2.452 -3.605 9.828 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 -11.946 -8.339 6.716 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 -6.546 -6.110 13.730 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 -12.713 -20.073 -3.366 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 -3.009 0.836 4.436 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 12.784 -1.944 22.581 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 1.688 -7.547 -0.280 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 2.086 0.452 1.146 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 7.810 8.480 3.975 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 -0.069 4.181 -3.204 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 -3.941 -0.744 -0.456 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 -6.948 5.737 9.087 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 -16.265 5.661 -8.542 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 -24.253 8.019 20.496 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 1.360 -8.246 9.383 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 8.213 -0.582 -4.625 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 -3.560 -2.367 -0.715 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 2.209 1.294 -1.634 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 10.131 -0.932 3.619 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 -3.543 -0.207 1.080 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 9.090 -0.782 -4.904 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 -28.978 18.963 -3.549 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 -3.211 0.438 -0.929 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 2.274 1.976 3.822 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 5.620 3.068 0.402 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 1.754 0.117 0.549 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 -13.787 23.299 5.337 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 -10.154 18.467 -19.411 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 -0.746 -4.444 -2.833 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 -1.618 -1.918 5.445 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 16.154 -12.850 21.033 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 4.807 6.023 2.856 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 1.286 -1.772 1.345 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 4.767 3.622 2.755 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 2.822 3.702 -4.466 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 -6.279 5.495 2.286 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 -30.049 3.935 -3.818 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 3.315 -5.979 -5.714 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 -4.285 -9.129 -8.258 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 -3.102 -0.170 0.984 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 1.002 1.744 -3.097 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 2.950 -2.642 -1.131 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 -1.705 1.661 2.450 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 -0.059 -5.479 5.141 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 -0.169 -7.775 -2.527 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 5.491 -8.078 3.586 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 -14.199 5.968 10.235 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 0.919 0.982 2.587 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 9.688 5.706 13.375 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 -0.590 2.362 4.157 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 0.043 4.051 8.072 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 -6.156 24.853 3.861 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 7.376 3.648 -0.071 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 1.975 -3.669 -0.249 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 -0.643 -15.660 -5.955 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 6.591 3.176 7.358 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 1.600 2.365 -1.135 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 -1.692 -2.093 10.466 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 1.977 -2.686 -6.241 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 -5.293 -9.471 1.146 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 -3.260 -11.339 -13.298 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 -1.457 9.639 1.511 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 -1.153 1.244 2.861 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 37.885 -13.448 -9.585 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 -0.875 6.601 6.000 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 3.801 6.937 0.405 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 -4.985 -1.958 11.032 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 -0.286 43.808 4.482 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 6.193 1.092 7.771 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 37.032 20.846 30.482 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 -0.778 -0.107 -2.895 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 18.810 14.206 -5.356 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 5.312 3.976 0.900 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 0.385 -1.440 -4.337 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 3.461 0.657 4.772 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 2.611 -0.950 -2.923 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 2.795 -6.184 -3.298 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 1.483 -4.477 -2.389 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 12.675 -1.024 -1.843 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 7.295 -10.730 2.420 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 1.332 -3.386 -6.549 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 -13.475 19.470 -1.966 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 5.137 5.339 0.647 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 0.553 4.442 13.371 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 14.302 11.086 3.129 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 3.391 7.279 0.174 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 6.968 7.162 1.740 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 -0.338 -17.408 -2.923 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 0.081 -2.301 -6.013 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 -1.363 9.754 -0.382 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 2.486 -10.010 0.764 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 -2.864 -1.554 4.816 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 -4.201 5.719 -6.277 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 1.110 10.438 9.507 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 -2.026 14.377 1.696 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 2.728 -5.376 5.184 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 5.315 -12.897 14.607 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 8.295 -17.936 -1.374 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 -3.528 3.446 4.804 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 -1.410 4.845 7.982 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 -10.421 -5.545 6.379 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 -29.824 -30.412 -5.079 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 -5.921 1.593 2.533 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 -11.310 -0.381 -3.882 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 5.025 -2.777 0.719 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 11.686 6.548 -14.231 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 -3.568 -2.642 7.258 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 2.542 -1.672 -4.944 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 2.402 -2.702 -5.756 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 -5.857 3.080 2.151 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 -1.259 5.078 1.219 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 0.677 0.766 -3.155 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 -8.325 -16.522 13.893 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 -0.874 2.674 -1.258 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 4.282 1.158 5.449 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 -11.541 -1.648 6.259 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 -5.146 -7.092 -0.831 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 -3.755 4.515 0.695 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 -5.080 25.161 -1.557 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 0.516 0.023 2.200 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 -0.417 5.350 2.973 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 0.223 -13.202 16.155 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 6.388 -1.096 -1.538 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 10.086 -6.105 -6.906 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 2.412 -1.305 -0.109 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 -10.865 4.253 -2.751 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 -12.868 0.577 -5.955 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 -13.724 1.411 -7.922 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 -0.368 -2.305 4.293 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 5.498 -2.564 4.999 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 13.306 12.638 17.283 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 5.577 2.051 -2.333 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 -7.775 2.133 -7.245 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 7.898 -1.974 -2.520 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 -4.516 6.682 5.428 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 3.165 -1.924 -1.865 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 -7.108 -10.867 -6.634 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 -1.503 -1.854 -2.008 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 4.802 -9.965 -10.499 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 -0.401 7.531 -0.440 1.00 0.00 SBOX O ATOM 2599 P URA A 88 1.183 -2.645 0.166 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 0.219 2.265 3.319 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 0.882 2.041 7.734 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 -9.590 -0.173 4.882 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 -8.887 0.159 3.685 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 12.667 3.432 -0.768 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 -16.285 3.903 1.232 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 -4.273 11.127 -4.254 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 12.178 13.261 -25.733 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 1.616 -2.855 2.560 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 5.415 0.006 5.381 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 11.294 -3.928 -39.531 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 -0.925 1.641 0.477 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 2.560 0.212 -1.526 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 22.343 -18.551 6.804 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 0.633 -1.218 -3.423 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 -3.689 -9.654 -8.991 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 -3.150 -3.352 3.155 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 2.090 -0.456 -5.377 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 -5.094 1.148 -3.630 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 -2.706 2.082 0.081 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 -5.143 5.198 -6.337 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 -6.049 -3.577 5.143 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 2.751 4.206 4.169 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 11.355 29.444 25.936 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 -7.751 -0.808 6.576 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 10.554 4.562 6.875 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 4.343 1.380 -0.570 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 -6.158 -28.795 -13.326 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 -0.289 -5.153 -0.086 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 -0.752 -0.413 -7.592 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 -2.345 -3.915 4.845 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 1.935 -0.707 4.822 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 -2.960 -1.508 6.551 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 7.111 7.204 -3.372 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 16.166 -3.345 -5.748 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 7.067 6.602 0.805 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 -2.917 10.464 0.482 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 -1.345 11.333 -17.674 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 2.713 6.072 -0.006 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 4.974 -3.056 6.529 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 3.641 -6.111 -36.540 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 -2.636 -6.119 -3.984 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 -1.799 -4.183 -10.507 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 10.543 -0.981 1.469 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 5.103 1.299 3.584 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 4.227 4.459 4.161 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 -4.209 7.917 0.833 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 -4.360 1.531 -2.523 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 -0.357 -5.180 -1.349 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 -2.719 2.436 10.361 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 -2.607 4.728 -0.254 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 -6.134 6.593 -2.146 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 19.616 -4.495 -19.475 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 -2.687 8.681 12.661 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 -3.186 3.345 -3.222 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 -6.920 -1.696 3.725 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 0.899 -2.685 1.640 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 -4.889 -17.256 1.414 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 4.497 2.151 5.160 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 -6.035 -10.527 5.240 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 -1.550 -1.766 2.420 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 -2.424 -5.429 -20.251 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 2.213 4.459 -2.708 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 6.185 1.297 4.483 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 -1.800 -2.997 7.169 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 0.386 0.158 5.954 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 2.573 -1.905 3.024 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 -5.375 -3.529 0.577 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 -0.075 10.532 -6.644 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 11.665 -5.214 -0.349 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 -2.575 9.978 -6.561 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 8.113 16.371 7.510 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 2.003 -1.447 -3.929 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 -3.106 1.674 0.177 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 13.806 -12.759 -7.533 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 0.684 1.643 -0.041 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 0.740 -1.638 -1.339 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 8.225 -3.125 -15.442 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 2.569 -2.198 -5.748 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 -3.411 0.609 0.383 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 -2.140 1.139 6.239 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 3.144 2.956 -0.619 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 12.545 5.350 -1.576 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 20.862 -23.929 -18.286 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 6.912 3.516 -4.923 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 -4.628 5.249 -7.142 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 -7.437 2.349 -11.255 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 -0.496 -8.410 3.502 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 -3.911 1.796 -5.857 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 -3.849 -0.733 -6.577 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 0.981 1.207 4.295 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 1.749 5.534 4.300 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 0.193 -22.275 -40.225 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 6.302 0.139 6.682 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 5.432 -1.040 9.418 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 -1.830 -3.402 5.254 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 -0.058 -0.918 -1.789 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 -0.533 -2.023 7.089 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 5.278 6.459 -8.409 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 -4.084 -1.756 1.634 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 -0.040 -4.648 -2.678 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 0.414 -11.948 -6.577 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 1.422 10.828 -16.828 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 2.198 -2.017 0.262 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 -1.585 -28.062 -12.428 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 1.647 7.593 -0.694 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 -2.041 -0.729 -5.293 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 8.214 -2.879 -3.691 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 -0.150 -0.338 -5.253 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 0.019 8.175 0.979 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 17.220 19.382 1.815 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 0.247 1.377 5.074 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 4.288 -10.558 -5.115 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 7.777 0.033 2.693 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 4.924 1.356 -4.980 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 0.646 2.551 5.483 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 6.125 12.772 -1.226 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 1.436 6.877 -6.841 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 6.902 -0.357 1.277 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 -8.085 -20.251 1.951 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 1.375 -24.739 -8.245 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 -4.974 -6.112 -1.696 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 -4.385 -1.330 1.730 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 7.765 3.829 0.781 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 17.388 15.480 21.909 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 1.839 2.206 -4.318 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 -1.485 23.980 -24.671 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 4.101 -4.858 5.101 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 9.966 -12.734 5.736 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 -0.098 -3.633 -7.759 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 2.627 4.503 -6.219 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 -1.665 0.940 3.162 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 -2.254 -4.158 -2.718 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 -15.504 2.506 -4.739 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 5.289 -2.687 2.587 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 -1.144 -10.010 5.235 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 5.176 -3.123 2.587 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 -7.238 3.368 -1.874 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 1.237 23.504 27.662 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 -1.539 9.049 -11.603 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 -1.435 6.058 0.812 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 3.919 7.238 -19.525 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 10.434 6.642 -1.529 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 -4.508 1.783 2.136 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 -7.364 -1.947 3.575 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 -1.356 -0.454 -5.348 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 -22.838 -4.854 -17.361 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 1.527 0.965 -5.582 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 -4.793 -1.992 0.370 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 6.705 -7.502 10.364 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 2.936 -2.728 -10.838 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 2.794 -2.113 -2.369 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 0.871 -1.021 -8.713 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 -4.799 -1.422 5.868 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 -6.820 9.281 -0.735 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 1.555 -10.602 -23.956 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 -0.940 4.804 0.072 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 4.255 -1.522 9.679 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 1.651 5.019 7.458 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 -11.929 -5.686 4.707 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 3.456 4.034 3.903 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 -1.392 2.401 1.000 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 4.192 -3.758 5.700 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 -3.585 -2.190 -1.052 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 4.199 2.928 -3.947 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 11.503 -1.565 -4.469 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 4.950 27.908 30.712 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 -5.937 8.380 5.821 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 4.337 -5.012 3.485 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 -9.121 -14.460 -16.323 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 0.580 -1.049 4.003 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 -3.977 1.237 8.324 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 -19.418 14.132 -5.873 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 4.738 7.527 0.123 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 7.477 5.348 1.963 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 19.479 -7.678 7.956 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 8.379 7.179 -7.262 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 40.527 16.036 -5.735 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 0.886 8.650 -2.605 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 -0.882 -4.563 3.174 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 -13.520 9.504 -0.630 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 8.434 -2.185 -3.601 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 -4.363 0.660 -6.559 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 3.994 2.143 -2.881 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 3.407 -5.805 1.330 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 0.250 -1.325 5.160 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 16.458 -4.767 -10.912 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 -3.157 5.031 -6.437 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 -4.377 -11.644 -15.805 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 0.467 0.636 -2.841 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 15.670 2.031 5.867 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 -5.123 -4.112 -5.055 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 -5.016 -1.354 -4.033 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 -9.939 -22.661 -1.503 1.00 0.00 SBOX ATOM 2794 P ADE A 94 -7.529 7.225 -4.865 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 3.406 -0.227 0.499 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 -1.205 -6.066 -6.293 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 -2.408 1.715 -11.245 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 4.915 -0.147 -3.622 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 -11.194 7.314 -1.892 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 2.266 -2.121 -1.083 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 -2.742 -4.060 -13.921 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 9.119 -1.124 5.539 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 7.930 -0.634 2.873 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 -3.075 4.939 4.437 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 13.672 3.263 4.377 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 -0.266 1.654 -2.261 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 2.314 1.820 5.704 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 30.809 -3.241 -3.959 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 1.997 2.836 -13.908 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 7.306 -1.950 3.013 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 0.567 4.059 -0.769 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 -8.529 1.804 4.300 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 -13.512 1.695 8.232 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 8.649 -3.845 9.342 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 -3.196 6.554 -0.213 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 7.625 -4.709 0.433 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 -22.474 -23.277 -7.425 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 -1.577 -6.002 0.253 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 -1.491 7.322 1.069 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 -7.809 4.698 -4.023 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 -6.433 7.551 -10.176 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 -5.061 6.877 -8.029 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 2.491 2.754 -15.447 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 0.265 -4.571 2.496 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 -8.759 -18.971 3.662 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 5.407 9.757 2.193 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 -14.768 26.073 20.150 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 29.826 7.958 -14.145 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 -2.874 4.450 5.289 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 5.808 1.446 3.514 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 -2.500 -1.243 15.277 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 -0.649 3.869 -7.021 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 -0.617 2.234 -24.907 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 14.859 -14.560 20.983 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 -0.148 6.884 -7.334 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 -21.065 -13.889 6.592 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 13.436 -14.320 -33.437 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 -3.974 5.471 7.327 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 3.639 6.616 15.922 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 -26.223 -0.752 13.631 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 -0.670 6.332 7.387 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 -14.396 23.586 -22.286 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 -0.429 -8.777 -9.205 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 5.063 0.868 2.999 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 -13.609 -3.262 1.235 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 21.903 1.694 -31.352 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 0.342 2.888 -3.086 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 11.006 0.312 -17.346 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 0.219 -13.596 6.131 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 2.062 -3.655 -0.445 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 8.702 -0.247 6.771 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 4.013 4.497 -13.082 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 4.704 2.418 -6.201 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 12.819 -17.994 -11.607 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 25.320 15.085 -6.828 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 0.438 -0.925 6.593 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 1.166 11.470 1.307 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 2.139 -7.484 7.636 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 -1.897 -7.289 5.744 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 13.904 -12.698 17.480 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 2.499 -0.153 11.056 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 5.035 -0.888 0.662 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 -4.364 -17.847 -11.458 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 15.171 7.652 -1.298 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 2.009 -3.078 1.150 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 -8.655 6.085 -5.995 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 -0.598 -15.018 -1.103 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 -4.899 -0.994 1.806 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 -12.621 4.841 2.922 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 14.634 5.648 25.048 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 -0.560 2.924 3.934 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 -10.234 -8.001 31.993 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 0.225 2.574 4.548 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 2.976 1.400 -6.395 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 0.374 7.198 -11.592 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 6.991 0.315 -0.251 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 -0.257 -7.175 -4.449 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 9.956 -8.580 -5.299 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 -9.064 3.531 -10.893 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 -4.876 -5.505 4.826 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 -3.703 -2.259 -1.316 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 -13.945 -8.759 1.732 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 -3.372 6.740 -0.301 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 2.835 10.356 -10.075 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 8.445 -1.336 -5.850 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 -1.021 6.964 2.665 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 -1.853 4.522 1.894 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 1.123 -16.877 9.820 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 -7.748 -3.089 -8.152 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 2.322 2.460 31.110 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 -18.596 12.725 7.293 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 0.354 -4.108 3.513 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 4.510 -10.987 -8.806 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 6.124 -16.371 -11.350 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 -0.472 -4.525 0.897 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 -23.632 19.761 -12.710 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 -15.876 -10.495 16.064 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 3.457 0.345 -1.717 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 18.166 2.832 -10.725 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 2.416 15.851 13.897 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 -3.132 0.784 -6.086 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 3.380 -0.699 -36.276 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 -5.871 -2.225 -0.049 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 5.696 2.521 -6.362 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 33.680 19.962 5.489 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 -20.161 2.165 17.429 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 7.620 1.512 -3.281 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 -13.120 -9.987 -3.633 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 4.611 0.223 -2.954 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 -1.087 3.816 -6.232 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 -18.980 -9.885 -16.282 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 1.765 12.069 -3.935 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 -5.149 -2.470 -2.446 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 -11.541 0.729 11.331 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 4.290 -18.193 -2.844 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 4.228 -6.202 2.050 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 7.749 -8.524 -0.566 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 1.601 -4.488 0.107 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 -4.871 1.559 -2.214 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 7.149 4.906 -25.320 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 -16.401 -1.518 15.542 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 1.277 -1.080 -0.300 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 2.471 2.673 8.699 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 -2.996 4.837 -1.581 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 -1.332 -2.598 4.217 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 -16.403 -9.423 4.755 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 1.588 -2.545 5.716 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 -2.090 -4.008 4.454 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 -10.380 -2.740 5.186 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 -2.966 -2.636 8.864 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 0.461 0.339 1.610 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 -31.505 -30.066 7.957 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 3.405 -8.409 1.097 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 2.034 3.597 0.441 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 25.084 2.028 -5.561 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 25.493 -11.054 -22.319 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 1.875 4.474 -2.222 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 -8.866 5.851 -10.053 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 19.485 12.036 -37.850 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 1.785 -8.437 -7.215 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 -1.684 -5.668 1.395 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 22.908 -1.429 31.834 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 3.930 1.197 4.694 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 10.349 -10.943 3.412 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 12.606 -0.402 -5.508 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 4.343 4.992 4.531 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 13.019 -0.242 20.728 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 -1.000 19.543 -2.872 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 1.810 3.806 0.705 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 14.190 -3.627 -0.809 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 -7.275 -6.842 3.335 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 -2.421 -1.605 -1.645 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 -16.335 -11.048 19.124 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 -2.114 22.319 -35.678 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 4.083 7.770 4.634 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 6.017 11.573 -0.691 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 12.448 15.750 -1.122 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 -0.808 2.007 -3.888 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 -0.832 2.303 -5.595 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 -18.722 4.261 -7.681 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 7.382 -3.893 3.605 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 -8.998 -9.284 8.601 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 17.123 2.222 0.097 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 2.869 3.699 1.372 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 -3.368 -27.468 4.009 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 -9.320 -2.875 2.975 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 11.313 -0.882 -3.853 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 17.540 -11.019 -5.651 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 10.317 0.098 -15.324 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 -2.528 -9.515 -7.100 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 4.803 -1.472 3.253 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 -2.577 -19.631 -6.120 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 -1.337 5.603 1.101 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 -6.816 21.213 -4.976 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 5.608 13.299 9.075 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 0.926 -1.401 4.074 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 -41.294 15.596 -18.560 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 9.057 -6.412 7.806 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 7.710 7.432 -9.044 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 13.749 0.200 -2.897 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 18.380 3.984 10.103 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 -2.157 4.271 5.868 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 -28.437 -5.129 -2.652 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 -3.394 40.057 12.527 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 -5.230 -6.524 0.993 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 -11.331 -27.115 -1.561 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 12.552 -3.377 8.744 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 -1.413 -0.913 10.411 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 -11.216 10.612 11.376 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 -3.527 1.021 12.772 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 4.417 -0.215 3.810 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 -14.941 -9.377 -19.439 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 9.694 1.118 21.204 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 3.447 2.355 1.909 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 21.931 10.488 14.435 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 -11.724 -6.120 21.526 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 -4.339 4.663 -3.019 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 20.592 20.383 12.206 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 9.812 12.029 -1.316 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 8.880 -4.022 1.499 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 6.684 2.111 -1.940 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 37.114 -4.869 -28.438 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 5.712 9.644 4.091 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 10.469 -11.489 -34.194 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 -2.104 -12.631 34.945 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 -13.501 8.059 3.859 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 0.775 22.810 7.100 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 -9.048 -13.579 -8.519 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 1.427 -0.985 -1.853 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 5.830 -11.653 -2.486 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 3.773 3.263 5.027 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 7.624 2.997 2.613 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 10.563 35.491 0.684 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 3.855 3.953 -1.506 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 -0.070 3.387 -6.231 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 -11.656 -0.401 2.649 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 13.352 6.429 -8.934 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 2.503 10.050 1.775 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 5.310 10.214 2.507 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 -9.616 -7.148 17.364 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 1.673 0.377 -7.726 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 -4.703 10.814 -3.815 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 3.247 -2.875 -8.051 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 -1.090 -3.899 5.347 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 3.095 -6.085 6.234 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 6.400 -5.820 8.984 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 -0.272 -0.463 8.706 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 7.638 -24.702 11.955 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 -27.061 20.499 15.288 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 -0.757 1.385 3.882 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 14.250 9.872 -21.475 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 3.379 -1.732 12.158 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 -3.387 -2.476 -4.058 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 4.123 -9.439 16.154 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 2.580 0.040 3.102 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 -4.682 5.457 -1.696 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 8.541 -9.036 -19.299 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 -16.746 -8.398 13.787 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 -1.606 -0.825 1.883 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 -2.600 9.846 10.608 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 -8.766 5.385 16.112 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 5.321 -2.011 6.332 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 0.787 -1.292 -18.383 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 -0.739 -26.965 13.717 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 3.473 -2.466 -1.365 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 11.334 -1.830 24.256 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 10.600 -0.761 -4.172 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 0.088 1.267 4.185 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 -10.723 7.442 8.379 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 7.188 4.790 4.161 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 4.439 0.387 -7.954 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 32.393 -17.098 9.427 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 -4.592 -0.345 -6.181 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 8.776 4.026 5.671 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 4.307 17.017 -12.373 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 -8.183 -16.262 7.970 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 1.221 11.627 -3.554 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 6.442 -11.233 -2.444 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 -12.883 18.401 -4.335 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 0.686 -3.075 -9.668 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 5.050 1.226 -0.402 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 -1.661 -7.498 -2.965 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 0.831 4.867 0.733 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 -13.805 5.811 0.121 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 -13.554 4.831 -11.073 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 4.326 0.982 -6.170 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 -12.477 -2.382 -0.180 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 16.827 0.144 -13.027 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 2.880 -2.783 1.740 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 12.677 14.812 -15.036 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 1.853 -4.181 -3.743 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 5.713 5.352 -1.888 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 6.851 -1.487 -1.526 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 5.599 19.959 7.358 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 -3.424 -5.461 6.609 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 -4.800 -14.123 -1.298 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 -12.838 3.498 5.528 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 2.804 -2.509 -0.343 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 -15.631 -2.966 17.048 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 1.713 -2.372 -3.748 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 -1.424 -4.231 -10.016 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 3.776 -25.716 -11.236 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 -11.004 -1.579 -8.017 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 -0.096 -1.684 0.636 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 28.837 19.935 -5.770 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 0.546 6.439 19.539 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 5.345 -6.501 -2.531 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 -14.053 15.375 -1.838 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 25.626 -10.283 -14.820 1.00 0.00 SOLV ATOM 3090 MG MG X 205 1.695 -1.667 4.242 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 9.666 -1.412 -0.473 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 6.524 0.078 -3.465 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 15.962 8.182 -6.917 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 -4.220 -4.805 -5.776 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 6.714 -1.663 5.969 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 -15.462 0.991 41.110 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 0.516 9.725 2.840 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 4.567 1.063 -5.821 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 -5.157 5.373 -1.181 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 -4.384 -3.113 0.926 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 -2.655 28.096 -15.759 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 -2.984 4.691 5.490 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 -0.497 -5.620 9.795 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 -9.808 14.489 4.006 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 -4.854 2.474 -5.132 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 1.667 3.343 10.587 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 10.061 1.848 0.488 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 -1.171 -7.203 2.252 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 -18.970 10.334 27.816 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 5.572 28.549 12.684 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 5.251 1.065 -6.622 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 5.969 -1.795 -3.055 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 -3.818 0.222 0.190 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 -10.106 0.865 -6.419 1.00 0.00 SAM ATOM 3115 N SAM X 301 2.878 -4.792 -2.832 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 -5.623 -15.018 12.793 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 10.610 5.770 17.994 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 -1.357 -24.034 -3.355 1.00 0.00 SAM ATOM 3119 CA SAM X 301 -1.633 -5.693 -2.188 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 -3.801 -7.247 -3.683 1.00 0.00 SAM ATOM 3121 CB SAM X 301 1.007 -7.125 1.607 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 11.505 -1.645 2.787 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 5.098 -9.122 -2.608 1.00 0.00 SAM ATOM 3124 CG SAM X 301 12.504 2.773 -8.786 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 -4.079 16.737 -11.006 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 -3.833 -4.628 11.299 1.00 0.00 SAM ATOM 3127 SD SAM X 301 2.786 1.543 -4.930 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 1.254 -3.663 -5.160 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 -1.068 -2.625 -6.211 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 -14.680 -21.410 5.264 1.00 0.00 SAM ATOM 3131 CE SAM X 301 1.267 5.475 4.379 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 2.118 -0.771 -16.162 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 2.573 3.516 -10.489 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 -14.677 20.437 0.862 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 4.179 0.171 -4.070 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 5.221 24.927 12.752 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 -2.333 -2.894 3.501 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 -2.103 -13.222 4.656 1.00 0.00 SAM ATOM 3139 C SAM X 301 1.668 -0.056 2.705 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 -1.301 -1.687 -0.444 1.00 0.00 SAM O ATOM 3141 O SAM X 301 -5.528 -10.840 0.007 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 -0.008 1.804 0.563 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 5.714 16.967 2.496 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 10.499 24.695 5.272 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 1.559 -4.423 3.817 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 15.442 10.925 8.334 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 -5.242 -24.142 1.483 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 -0.681 0.673 -4.343 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 -5.396 -2.667 -14.872 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 28.400 -21.726 -10.018 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 14.147 -1.079 6.185 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 21.144 -11.021 1.691 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 32.734 2.736 1.772 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 -9.045 0.046 -3.449 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 2.774 -33.818 -5.880 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 17.620 24.294 9.088 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 4.002 2.611 -0.569 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 -8.523 -8.072 -7.299 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 -4.114 -14.903 -16.538 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 4.648 3.261 -4.024 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 1.298 0.288 -6.781 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 0.927 5.600 -1.292 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 0.653 -1.359 -3.238 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 -2.510 -0.104 -7.591 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 3.715 -2.636 2.235 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 -3.981 -1.213 1.297 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 3.386 11.961 6.433 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 -23.049 -0.043 -0.681 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 7.490 2.515 -7.267 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 -4.635 -4.963 -17.091 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 -5.283 -0.548 -25.756 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 -0.186 -0.468 3.440 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 -13.134 -13.036 -29.145 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 17.587 -27.126 7.185 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 2.995 -3.521 3.088 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 8.078 1.219 -2.856 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 -10.237 2.085 27.681 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 4.259 2.059 -7.308 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 -0.530 7.529 -26.965 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 21.902 12.638 -2.996 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 -0.973 -4.026 -5.502 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 -13.905 -0.801 -13.103 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 -15.971 6.126 5.869 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 -1.850 7.651 4.768 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 7.897 14.190 1.533 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 9.403 -22.001 -6.300 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 2.541 0.099 -1.020 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 18.774 -23.097 -2.310 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 11.301 18.353 -26.674 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 -1.335 -7.679 -0.566 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 5.786 -4.527 11.381 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 3.573 11.044 -0.518 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 2.116 3.741 3.674 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 -11.463 23.966 5.120 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 -17.270 -3.489 -22.095 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 -3.196 -0.041 0.193 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 -23.704 8.345 17.323 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 17.559 -34.678 -1.814 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 2.884 -2.774 1.859 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 4.660 -3.079 2.011 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 2.563 -2.557 0.770 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 -0.319 0.517 -0.188 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 -6.453 -21.137 12.716 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 -11.848 -7.505 8.766 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 4.418 -3.952 2.369 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 -1.025 5.442 8.501 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 -1.538 -4.206 -5.927 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 -2.611 -0.040 -2.109 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 8.548 1.277 8.397 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 -12.944 -29.960 -8.137 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 -2.156 -2.353 -2.650 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 12.734 -12.366 -10.468 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 2.136 -4.511 12.687 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 3.554 10.238 -2.447 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 13.335 19.035 -1.932 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 13.619 3.654 3.586 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 0.637 4.898 1.899 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 -3.636 3.886 3.398 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 4.928 18.669 -6.353 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 5.470 -5.490 -2.125 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 10.755 -20.433 6.625 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 27.661 20.038 -1.975 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 -3.209 -0.839 0.676 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 -1.934 -8.452 -6.927 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 -12.960 0.137 8.550 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 0.006 -3.678 -3.263 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 -9.646 -4.803 6.026 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 -1.353 -2.631 -4.683 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 -6.851 2.498 -6.556 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 7.982 -0.775 -0.436 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 42.679 -7.727 19.705 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 -3.762 -5.334 2.271 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 -6.929 -18.907 17.331 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 17.335 -0.443 1.368 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 -6.387 2.023 1.919 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 -13.068 -0.614 21.141 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 7.634 -3.629 -1.818 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 -1.785 -6.038 2.948 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 11.849 -0.195 14.812 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 14.539 0.542 -8.588 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 7.084 -8.661 -5.967 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 18.789 10.012 -22.265 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 -7.993 7.368 -49.776 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 -3.565 4.695 3.491 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 -11.007 14.907 -4.180 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 14.990 -2.019 0.070 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 -1.226 -3.897 0.054 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 -1.205 9.785 -13.042 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 -8.034 -13.004 -5.074 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 -0.299 -0.936 -0.377 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 -1.409 -9.486 11.701 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 -11.928 31.664 6.934 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 -3.465 4.406 7.103 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 -13.238 15.331 -6.971 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 5.823 -6.657 25.316 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 -6.295 -1.134 0.270 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 3.341 2.259 1.690 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 0.823 -3.128 -21.871 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 -7.917 -7.552 -1.469 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 -24.885 -2.347 1.569 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 -1.239 9.657 6.775 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 -10.581 0.476 2.311 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 25.753 18.259 -8.050 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 -4.112 3.799 -1.386 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 5.541 1.005 4.559 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 -3.176 -1.198 1.881 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 27.861 12.883 19.114 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 0.941 -4.167 1.924 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 5.472 11.541 -5.313 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 3.486 6.304 -2.524 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 -0.479 0.671 4.754 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 4.585 28.543 14.495 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 -12.066 -5.520 2.925 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 -2.803 -1.765 -4.307 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 -9.184 6.173 -6.133 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 0.166 2.225 1.775 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 -1.671 2.125 -1.299 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 5.489 -1.522 9.630 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 -0.699 -10.706 -14.855 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 2.927 -2.416 -4.313 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 18.637 4.335 -9.034 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 -11.521 -8.900 0.323 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 -2.295 4.641 -1.621 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 17.030 11.381 -10.936 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 -13.358 6.497 -11.490 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 -3.674 -7.394 -2.122 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 20.053 -3.069 -18.172 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 0.488 -12.826 7.479 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 -4.976 6.529 4.104 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 9.930 -2.057 -23.985 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 -3.379 23.219 -8.780 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 -0.787 6.191 0.637 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 7.854 3.961 13.457 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 8.799 18.062 -6.930 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 0.138 2.414 4.719 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 3.125 -3.818 1.861 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 4.816 -16.220 4.595 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 0.169 -3.711 -3.781 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 7.558 -0.879 14.366 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 7.902 15.372 -11.861 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 -0.373 3.745 2.450 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 -5.932 -1.613 1.762 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 -2.812 5.364 -6.752 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 2.210 -3.400 -0.520 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 -8.732 -3.491 -8.547 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 3.967 -14.544 9.745 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 4.275 0.575 -1.897 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 7.979 -6.068 9.367 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 2.705 -9.114 -9.634 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 0.065 -4.170 1.930 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 -5.632 -1.258 -9.305 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 3.158 -5.708 16.870 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 8.012 -0.234 4.038 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 7.662 -0.620 1.533 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 8.531 -1.512 -4.846 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 5.358 -3.429 -0.457 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 -0.660 5.190 -9.765 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 9.117 -7.085 4.419 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 -6.760 -0.263 4.103 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 0.813 -0.732 8.717 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 26.322 17.794 27.073 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 -4.962 -1.368 7.093 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 -8.059 17.315 6.487 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 2.688 -6.740 5.735 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 -0.474 4.466 2.495 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 42.687 -11.826 5.691 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 16.706 4.168 17.389 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 1.802 -1.633 -1.335 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 1.769 -1.256 7.289 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 -19.982 -18.021 -19.041 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 1.136 1.840 1.072 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 3.842 3.051 1.383 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 22.489 13.477 4.980 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 -5.079 -0.625 -8.383 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 8.395 -1.453 5.830 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 -9.887 0.624 -10.541 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 2.231 -2.152 2.875 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 6.540 -6.995 -0.349 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 2.398 -3.243 1.002 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 -3.068 7.902 0.084 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 -18.560 7.734 -9.086 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 -24.368 6.831 -14.551 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 -5.474 8.267 -1.325 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 -19.675 11.604 11.679 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 28.631 2.349 -7.339 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 -3.292 1.047 4.022 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 24.233 3.827 21.342 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 -4.255 0.461 2.621 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 -2.565 -1.569 -3.371 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 -3.256 -2.377 -0.952 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 5.455 8.580 -6.716 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 -0.231 3.862 1.162 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 6.187 -2.340 0.385 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 -1.578 11.501 -2.468 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 1.265 4.992 -2.445 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 -19.143 6.354 43.059 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 -0.557 14.560 -15.548 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 0.733 -4.156 -4.757 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 12.031 -16.318 3.028 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 10.579 7.962 3.901 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 1.483 0.225 2.789 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 -28.786 -27.171 1.320 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 -7.321 15.138 12.236 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 0.856 0.192 -8.046 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 13.247 18.507 -26.125 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 -14.088 13.588 16.930 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 -0.701 -0.869 -0.730 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 -7.393 4.881 3.857 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 -6.660 -8.944 -10.963 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 3.207 -1.392 -1.518 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 18.369 -3.751 -25.229 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 1.568 10.516 0.646 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 1.295 2.350 9.011 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 13.123 10.595 -18.589 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 -3.912 -3.602 -11.293 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 -11.104 2.375 -2.949 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 -11.515 -27.492 0.500 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 7.874 11.992 12.931 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 -3.924 -2.732 0.223 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 -0.644 8.643 0.510 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 8.380 20.803 9.564 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 -5.552 2.809 -2.688 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 -3.465 9.861 -0.629 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 2.302 -15.456 9.102 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 -2.612 0.693 1.055 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 4.638 -8.362 -7.274 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 9.425 -23.973 0.020 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 -0.178 -3.870 4.349 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 14.097 -5.003 4.095 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 -5.893 -17.269 6.785 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 3.332 -8.313 -2.566 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 0.440 23.212 -10.216 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 0.898 17.465 -8.553 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 -6.970 -1.592 1.778 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 -5.580 14.565 -19.334 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 8.512 20.794 2.764 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 -2.187 -3.033 -4.999 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 -4.745 2.872 -21.908 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 -3.414 -4.810 0.558 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 -1.752 -1.544 -1.327 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 4.215 3.499 7.472 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 -5.743 -13.408 2.506 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 4.104 4.499 3.872 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 33.152 -12.100 20.045 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 -42.679 22.108 11.975 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 -4.763 0.594 -7.475 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 -10.388 3.661 -1.081 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 -1.602 2.880 0.351 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 -2.122 -4.581 1.977 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 0.572 -4.924 2.827 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 -12.306 -20.842 9.399 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 3.085 -4.254 2.652 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 -11.159 3.069 24.036 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 -10.286 10.790 -15.412 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 1.517 -5.387 -1.978 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 -0.019 -2.726 -0.884 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 5.774 -3.514 -1.910 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 3.179 3.277 -1.902 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 -8.510 0.578 1.342 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 -11.316 -10.927 -5.157 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 -3.546 -0.320 3.376 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 14.934 0.795 -22.940 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 -14.260 27.930 7.693 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 -4.584 -1.042 4.004 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 -26.226 -25.254 16.072 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 9.906 16.581 17.398 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 -2.119 7.290 6.459 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 4.797 -9.780 6.008 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 -8.067 10.705 0.925 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 7.353 -3.079 5.604 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 -3.549 24.129 -9.984 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 -5.845 4.996 15.610 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 -5.500 1.253 2.018 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 -2.605 -24.843 -24.542 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 -1.253 -6.782 -5.474 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 6.510 3.709 8.677 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 11.485 -7.738 -4.639 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 -11.169 -12.522 24.130 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 2.533 -1.444 -3.029 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 1.931 10.072 -8.341 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 1.910 4.111 -7.240 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 -1.026 -5.795 1.259 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 -16.748 6.110 7.817 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 -12.807 1.575 8.677 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 -1.296 -4.452 -0.947 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 -7.367 10.984 25.409 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 21.238 -7.645 -1.486 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 -5.543 2.959 -1.308 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 -2.986 -18.622 2.156 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 -8.390 12.614 -4.266 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 -2.310 -7.101 -1.232 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 -5.612 -13.185 -9.025 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 8.813 -6.972 2.562 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 10.309 3.838 3.295 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 -19.699 4.653 12.924 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 7.816 10.880 -5.217 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 -1.565 3.886 -5.291 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 -17.576 16.324 19.349 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 -18.356 5.288 11.813 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 4.363 -6.197 3.445 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 -5.046 -5.982 0.216 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 -2.256 -16.276 18.971 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 -2.927 1.887 -3.661 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 -4.862 -0.029 7.533 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 14.923 6.354 -11.879 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 7.459 2.547 -3.727 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 4.327 -19.913 9.669 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 16.428 -0.675 -21.044 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 2.478 2.622 1.033 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 -13.327 -5.762 0.811 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 -14.400 -7.480 10.873 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 4.802 2.865 -1.902 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 9.298 -2.185 13.722 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 -2.190 -10.407 9.939 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 1.674 1.082 5.352 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 -13.608 1.335 17.166 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 -10.817 8.965 -0.270 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 3.530 0.854 -5.086 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 12.698 16.930 -22.259 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 -21.825 -8.815 8.201 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 1.742 -3.464 -3.331 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 4.322 -8.027 0.803 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 4.118 -5.711 -5.821 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 -5.048 -2.483 -1.596 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 10.274 8.333 3.183 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 -3.341 -4.945 -2.335 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 1.951 8.220 -1.140 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 33.961 -8.774 6.106 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 -16.240 -22.041 -1.616 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 1.155 3.414 0.095 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 3.039 -3.626 -28.540 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 -24.319 7.825 2.042 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 2.416 9.218 -3.331 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 18.275 6.710 -15.460 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 10.099 21.089 -7.131 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 -4.709 -2.390 -1.875 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 3.205 -4.371 -19.881 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 4.729 18.719 6.947 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 -8.357 2.099 1.965 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 3.328 8.071 1.910 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 5.072 -14.412 -0.893 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 2.846 -2.139 4.302 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 8.952 18.202 3.660 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 1.848 -30.743 -3.015 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 2.279 -2.456 0.788 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 8.351 7.938 -2.087 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 -11.287 5.508 13.899 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 4.406 -1.472 2.373 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 -1.018 -3.357 -14.469 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 5.104 1.584 6.013 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 -3.117 -0.820 -0.066 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 -4.487 -0.754 -3.286 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 -2.626 -4.795 15.499 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 0.503 -6.143 2.439 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 -18.905 -4.126 -5.039 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 -16.449 -5.885 30.463 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 -1.502 -3.519 2.042 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 5.343 -8.323 -1.241 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 12.854 -19.488 -7.438 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 -0.152 -1.838 4.242 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 -4.063 -7.067 -2.606 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 9.161 3.495 0.699 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 -1.589 -2.380 2.370 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 15.942 -1.694 -24.517 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 5.124 26.386 18.338 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 -7.509 -1.310 -0.629 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 -18.818 5.996 -13.079 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 -14.920 10.599 8.270 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 -2.664 3.890 -2.043 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 -15.825 -4.403 25.150 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 30.171 25.273 -4.440 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 3.944 -5.159 3.057 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 2.760 -26.921 13.317 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 2.348 -15.974 8.719 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 -1.447 -0.182 -3.292 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 -7.233 -2.680 6.811 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 -0.967 -5.941 -13.977 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 -4.034 2.418 -3.923 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 -3.268 6.818 -9.305 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 -3.652 10.182 -13.007 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 0.550 3.721 -7.754 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 -0.891 19.289 -3.484 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 10.994 -4.278 1.032 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 2.500 2.145 -2.874 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 1.886 1.822 -3.769 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 -6.894 -4.895 21.123 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 -2.663 3.961 -1.823 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 -4.624 -9.032 -10.271 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 18.754 4.343 -5.987 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 2.704 -0.900 2.382 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 -5.328 0.650 32.019 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 3.375 1.375 14.283 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 -1.211 0.322 8.332 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 0.375 8.820 5.453 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 -13.812 2.368 -0.777 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 5.644 8.251 3.711 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 12.871 6.325 2.983 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 -3.473 9.837 2.704 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 -3.716 -2.167 -4.081 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 -8.129 -2.305 1.206 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 -7.398 0.204 3.402 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 -1.614 -2.039 -0.731 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 -18.230 4.484 16.851 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 -13.139 -25.944 0.823 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 -1.693 2.100 0.343 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 -7.740 -3.421 18.195 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 -2.807 -27.633 -14.204 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 -1.749 1.819 2.941 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 0.543 -2.002 -1.748 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 0.098 -0.686 3.971 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 2.498 1.586 1.804 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 -6.310 1.610 -5.373 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 24.334 0.533 -5.467 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 3.498 8.744 1.949 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 11.088 -11.074 30.413 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 -14.023 -7.929 2.600 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 -2.753 1.480 -8.188 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 9.732 17.013 -3.983 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 -23.001 -2.775 -20.023 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 -3.305 -1.664 0.190 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 -8.371 -1.136 -12.228 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 -0.717 -2.789 7.192 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 1.757 3.450 10.957 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 14.592 -3.412 -0.885 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 5.859 3.249 10.701 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 1.901 7.783 6.031 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 -11.007 -28.834 18.402 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 -13.003 5.367 -15.235 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 -0.802 -6.847 3.500 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 -14.158 -4.603 -4.019 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 9.106 7.999 -10.855 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 2.562 -4.483 -5.128 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 10.901 15.982 9.130 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 26.499 -12.498 -8.410 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 -0.600 -2.140 -3.074 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 -6.009 5.462 -13.865 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 -5.064 -6.990 2.537 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 -6.058 -9.175 -1.399 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 -12.528 8.431 -4.766 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 -17.884 13.198 -4.340 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 5.280 -1.933 9.010 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 2.203 10.022 1.628 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 3.006 -1.985 15.056 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 -5.472 -1.094 2.920 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 1.513 14.992 1.797 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 5.383 -3.368 -18.913 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 -0.367 -1.698 -3.265 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 6.555 7.175 -7.039 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 13.101 -19.930 -14.990 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 0.247 -2.745 -1.664 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 -4.972 14.983 0.626 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 1.637 -6.130 -19.942 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 0.120 1.917 5.286 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 17.198 7.903 1.601 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 -16.412 -3.626 25.100 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 4.139 0.297 0.598 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 0.334 -4.541 -8.509 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 4.862 10.435 -1.481 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 2.668 2.100 -2.944 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 32.706 -5.095 2.907 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 16.836 -15.324 -24.670 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 3.733 -0.830 -1.375 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 6.057 -2.094 -4.938 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 -14.326 12.723 2.034 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 -2.823 -3.115 -3.133 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 -1.306 5.147 5.907 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 -15.006 -14.222 -14.816 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 -4.625 -3.745 -1.321 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 23.162 5.711 -28.521 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 21.578 16.625 -20.205 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 2.393 -1.330 2.134 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 -9.075 -7.682 10.878 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 18.693 15.096 -3.568 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 3.302 0.135 -2.051 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 11.572 7.694 2.107 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 -9.966 -3.260 3.711 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 -4.222 5.250 5.028 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 23.520 4.967 -14.150 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 -12.843 5.230 18.553 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 2.162 2.139 -1.909 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 -9.469 8.148 1.237 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 0.110 -3.349 5.501 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 -2.555 -2.058 2.384 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 18.880 4.195 -0.588 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 3.369 11.166 18.742 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 1.039 -3.864 -2.504 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 11.288 1.587 -13.831 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 0.537 -16.092 -6.146 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 2.230 -5.291 0.253 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 5.272 -9.388 -2.382 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 6.283 -37.738 -3.896 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 -5.540 -5.804 2.856 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 -12.321 -2.342 -2.351 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 -1.452 -8.539 6.942 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 1.621 0.312 -6.919 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 0.859 -6.489 10.349 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 -3.893 20.975 -3.137 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 5.195 -8.347 4.823 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 20.320 -10.870 9.037 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 3.144 -16.903 -2.870 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 3.826 -0.117 -0.906 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 26.992 -2.866 3.763 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 6.330 15.270 -26.114 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 -4.490 -1.239 5.451 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 -7.852 0.194 9.494 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 -1.215 17.127 21.291 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 4.005 2.010 -0.717 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 9.606 9.733 0.559 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 -2.781 -1.238 -5.521 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 4.186 3.252 2.739 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 5.974 -5.161 -23.020 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 -12.815 -3.654 -0.859 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 -6.583 -5.291 3.978 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 -1.078 -1.577 2.617 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 -8.937 -1.304 5.214 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 -3.049 4.902 5.049 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 2.799 -3.737 -4.955 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 -14.448 11.151 -2.808 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 1.654 -4.647 -9.341 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 -9.714 -5.543 -0.168 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 4.111 -2.289 11.282 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 4.732 4.088 0.766 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 5.225 6.003 4.609 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 8.964 9.646 2.076 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 0.148 6.157 0.794 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 10.264 -3.455 -16.332 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 -2.198 2.468 -2.775 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 -1.329 0.830 3.132 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 14.196 -1.281 11.348 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 -0.845 6.169 -17.316 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 -0.365 2.022 4.591 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 -2.644 4.336 9.063 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 -9.164 8.527 14.291 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 1.343 0.338 -1.874 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 -7.067 -19.896 26.111 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 -34.011 15.772 -14.130 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 -2.758 -12.440 2.559 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 -9.573 -3.766 -11.048 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 -5.139 -9.339 -2.829 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 -3.985 -0.419 -0.134 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 -10.587 -14.445 -24.768 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 -6.192 21.329 5.936 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 0.171 3.225 -3.668 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 6.112 -14.695 -1.074 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 0.945 8.209 -6.237 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 0.752 -1.018 4.623 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 -12.032 -0.569 -9.695 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 -10.735 2.819 15.681 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 -2.628 5.509 0.782 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 5.889 -29.303 27.943 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 -15.158 -30.186 3.864 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 -1.786 -3.145 1.861 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 9.997 -3.257 14.850 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 -15.504 -5.635 -11.845 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 6.059 -1.285 -0.241 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 3.558 8.125 -9.578 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 7.661 -14.076 9.224 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 -3.916 -4.158 2.236 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 9.854 0.877 -0.868 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 -4.077 -3.709 3.225 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 5.620 -1.977 -4.322 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 0.298 -12.577 -5.415 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 23.033 1.801 -8.355 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 0.692 -3.957 3.777 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 1.798 -9.096 -1.156 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 -3.169 -2.485 -9.515 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 0.609 2.415 -0.226 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 -0.931 9.229 -4.749 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 -0.676 2.817 -1.098 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 -4.816 -3.601 0.160 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 -1.414 -14.342 9.009 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 -7.427 1.943 -14.169 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 5.838 -3.451 4.721 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 9.191 -15.013 -17.947 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 -2.863 -5.399 17.679 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 -0.746 -4.032 -2.085 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 5.219 5.401 -10.357 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 -11.877 -9.705 -7.374 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 -1.760 -0.670 -5.426 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 7.241 8.447 -7.800 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 16.985 27.173 -10.180 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 2.489 -1.114 -5.421 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 -6.539 -10.458 16.223 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 13.206 -11.614 -19.895 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 5.387 7.121 -6.865 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 -3.592 6.408 -8.661 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 13.548 3.827 -0.416 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 1.001 7.433 -2.515 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 -4.067 1.855 0.557 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 -2.086 -0.670 -12.544 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 -4.460 4.010 -1.883 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 -2.859 5.108 0.934 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 0.144 -5.011 -3.498 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 -3.607 -0.199 -1.009 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 -31.430 31.429 -10.194 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 -10.698 3.340 -2.815 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 5.344 -4.378 1.143 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 8.179 1.621 0.125 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 5.926 -8.770 4.523 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 -4.522 -6.682 -0.015 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 -13.881 13.512 15.566 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 -5.087 -5.396 1.181 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 1.324 -4.521 2.936 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 6.648 -43.262 13.085 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 2.699 -1.210 15.083 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 -4.358 2.163 -2.997 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 21.126 6.122 5.598 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 7.382 -21.118 13.707 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 4.634 3.261 0.433 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 3.762 -1.152 -0.148 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 9.052 3.074 -0.030 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 6.659 1.744 2.493 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 6.042 9.571 4.939 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 -7.616 -6.885 -14.209 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 -4.281 -0.650 -0.895 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 11.973 -2.817 3.316 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 3.291 -2.674 -1.471 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 -4.010 -2.112 -5.701 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 -16.281 -1.465 -14.068 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 7.170 -9.129 5.895 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 -1.553 -1.893 1.017 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 1.364 10.474 -0.442 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 15.832 16.036 -0.361 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 0.050 -1.593 1.858 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 10.745 -0.451 4.866 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 35.294 -2.690 3.124 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 3.094 4.602 -0.967 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 -10.114 21.515 -19.957 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 -10.760 18.764 2.350 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 -0.888 4.275 -0.360 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 -2.954 3.128 5.337 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 -3.482 6.352 0.816 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 -1.617 1.217 2.379 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 4.836 -5.274 3.086 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 16.299 -14.400 4.931 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 2.154 0.831 4.218 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 -9.863 12.544 37.280 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 -16.957 -23.782 2.698 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 4.635 -0.437 8.085 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 -2.928 30.942 -1.249 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 8.256 11.395 9.557 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 -6.399 -0.164 -4.680 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 -3.035 3.934 -2.702 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 5.726 8.633 10.489 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 1.030 -3.451 2.634 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 8.564 -1.932 7.241 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 -3.457 1.550 -6.976 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 7.785 -0.974 -1.068 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 6.336 -12.339 -25.139 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 -16.514 -12.209 -22.160 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 -2.217 -0.150 5.504 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 20.394 9.461 -0.193 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 13.834 7.764 12.294 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 0.036 -0.555 -0.827 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 -27.378 -0.369 -8.407 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 7.625 23.512 6.668 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 -0.001 -4.332 -3.666 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 -16.028 -13.882 2.612 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 3.324 -11.839 -5.717 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 -5.410 -2.057 2.545 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 -4.665 12.116 1.728 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 -10.291 -15.146 7.679 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 -8.385 -0.964 3.721 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 -5.502 -13.340 20.825 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 14.005 -14.858 -1.138 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 0.710 -3.264 0.515 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 -1.777 -23.761 -5.214 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 -16.907 0.171 5.997 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 2.043 2.452 -9.091 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 -5.560 -15.208 -20.140 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 -4.475 -0.684 -13.274 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 1.184 -6.232 -4.950 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 8.709 -20.174 -3.576 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 -1.041 5.646 -18.822 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 -3.293 -11.019 -1.893 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 -4.918 39.581 -9.632 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 17.567 7.185 20.213 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 3.332 -3.194 0.400 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 4.218 13.027 6.594 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 14.709 -12.170 9.679 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 -1.257 -0.908 -4.414 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 7.165 8.823 -1.470 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 -4.372 -0.627 3.011 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 -3.367 0.823 1.263 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 4.269 -4.670 -8.153 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 -24.009 11.156 -16.925 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 10.711 0.270 -7.748 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 10.410 -10.650 -1.705 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 5.209 -5.511 -20.277 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 3.071 -0.299 -0.839 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 -1.691 -0.963 -2.546 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 -0.387 21.694 12.498 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 -7.988 -6.983 -1.144 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 -8.666 -12.296 3.420 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 -3.280 -15.178 3.842 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 -3.269 1.842 -1.681 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 1.806 -2.453 -0.445 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 4.226 2.953 7.836 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 3.764 1.807 0.255 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 2.360 23.032 10.698 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 4.505 0.202 0.630 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 -6.412 -3.373 0.151 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 -8.623 22.671 20.014 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 -4.484 -2.478 7.579 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 -0.478 3.445 4.620 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 7.089 16.589 -16.725 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 6.643 10.447 -9.390 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 -5.710 3.543 0.402 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 -14.814 7.592 -2.616 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 12.090 0.866 -12.112 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 7.088 10.874 -2.723 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 20.091 7.359 4.442 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 -8.223 18.962 1.264 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 2.887 -3.015 4.735 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 14.143 -18.350 -1.211 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 0.155 8.506 -10.966 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 -3.653 -1.046 -4.649 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 6.559 11.223 -23.843 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 6.676 0.541 19.769 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 -6.944 -2.584 6.142 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 -19.722 -12.838 -12.580 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 2.225 8.148 25.491 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 3.656 -6.101 -8.976 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 -26.647 36.615 18.453 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 -6.310 3.613 0.917 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 -3.978 -2.779 -1.245 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 -6.070 6.935 7.410 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 -0.600 -4.931 -6.882 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 -2.195 1.929 -1.686 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 -0.839 15.142 -5.296 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 13.340 -6.294 -10.397 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 5.725 5.984 2.340 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 -6.095 7.832 -16.442 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 -4.812 20.108 14.580 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 -0.582 -0.853 -3.918 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 1.190 1.655 21.587 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 23.015 -8.693 -12.205 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 -5.084 -3.458 0.035 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 5.152 10.584 -13.531 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 -36.275 -4.140 29.852 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 0.925 2.398 0.137 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 6.938 1.826 -5.855 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 10.274 -6.842 -19.969 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 0.611 1.213 0.166 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 0.336 -0.614 0.275 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 -0.885 0.509 -0.774 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 0.510 1.111 -3.482 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 5.558 8.129 -14.450 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 -2.076 -10.320 -8.255 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 4.140 -2.132 -4.400 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 9.792 8.206 -4.465 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 3.863 -2.799 -8.819 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 1.981 -3.615 2.174 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 -11.259 -14.974 -6.143 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 6.769 -25.318 -29.658 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 6.177 4.044 -1.728 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 7.020 14.740 -1.272 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 -0.796 -9.185 -13.016 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 5.797 -0.004 -2.800 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 6.912 8.670 -5.454 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 16.017 6.187 -29.504 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 5.324 1.409 3.932 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 -2.048 -11.228 9.870 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 -11.564 -15.044 4.781 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 -1.747 2.419 -1.204 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 -8.934 18.325 8.923 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 -9.979 -3.089 -2.532 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 0.890 -9.589 -3.401 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 4.451 -11.551 -0.532 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 -2.554 -13.272 3.675 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 -3.721 1.267 9.411 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 18.150 11.785 -1.780 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 4.465 11.066 23.393 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 4.918 -8.470 0.178 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 -15.033 -20.220 -6.586 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 11.394 -8.588 13.711 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 6.326 4.489 -7.152 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 10.451 27.648 4.482 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 -7.271 13.961 -9.113 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 -6.162 2.772 -6.372 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 -1.938 16.467 -4.039 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 -6.038 3.197 -7.081 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 -4.289 -4.203 -5.112 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 -15.764 11.542 -6.298 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 -8.073 -12.717 -4.593 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 1.516 -2.094 6.450 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 -7.130 -24.541 3.850 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 -0.087 -5.877 12.098 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 1.995 -9.241 -2.997 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 1.114 7.977 -13.988 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 15.286 5.550 6.961 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 -0.614 0.879 -3.624 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 15.432 -3.309 10.561 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 10.063 29.683 -20.027 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 -3.264 3.665 0.492 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 -2.591 4.634 0.963 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 -5.273 -3.194 6.481 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 -0.629 7.112 -6.832 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 2.829 2.473 6.044 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 17.995 -15.447 6.985 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 0.454 2.267 -1.549 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 -1.962 -12.179 -4.626 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 -1.310 1.654 1.636 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 -1.078 0.371 1.721 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 2.870 11.089 13.382 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 -3.969 0.720 2.268 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 -1.388 2.718 -3.607 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 -9.911 3.346 -2.004 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 -9.638 5.198 5.927 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 -0.815 -1.747 -7.631 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 0.184 3.996 -14.469 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 5.523 4.176 4.001 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 -4.003 5.655 -0.807 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 -18.566 2.322 18.206 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 -9.303 -15.462 -15.398 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 5.045 -3.125 5.333 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 14.609 16.909 -3.792 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 25.026 -25.998 -4.395 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 0.448 2.590 -0.633 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 -5.284 5.458 -2.272 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 6.373 -6.854 -6.385 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 -1.579 -6.526 -2.180 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 9.093 -19.123 7.990 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 -18.624 -10.921 0.348 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 0.626 -4.584 0.046 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 -4.093 3.559 3.986 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 27.070 18.836 -20.304 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 1.432 -4.401 1.185 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 -0.713 -5.135 -3.202 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 -9.200 -5.264 3.698 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 -5.472 -4.792 -1.082 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 -18.738 2.526 2.483 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 17.818 -11.830 29.590 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 -2.341 0.086 1.305 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 4.333 -1.952 -3.163 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 0.625 3.393 8.439 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 0.817 1.957 1.024 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 -4.451 12.898 -8.050 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 10.295 -9.427 -0.940 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 8.702 0.926 2.521 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 0.346 4.101 7.404 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 15.867 -1.788 16.048 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 3.835 -2.036 -1.007 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 -7.420 21.151 -12.209 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 -8.083 8.872 -1.481 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 0.808 5.314 -2.412 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 -0.706 -11.906 14.913 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 3.583 25.955 9.727 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 2.591 -3.328 3.741 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 -6.871 8.463 2.996 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 -12.852 -10.735 10.824 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 -3.519 -2.997 -3.847 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 -4.944 -2.602 -22.464 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 16.759 1.925 4.627 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 -0.499 0.919 -1.371 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 23.855 -6.233 -2.764 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 -11.824 -10.135 -25.645 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 -2.455 -0.363 -6.336 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 3.035 16.135 -38.205 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 -0.530 -1.990 13.799 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 2.807 6.091 8.001 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 21.649 -18.934 0.308 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 -4.203 33.013 23.409 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 -4.109 1.208 10.318 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 -9.931 3.015 8.571 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 -34.127 1.851 1.081 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 -6.394 -1.452 -1.189 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 -4.234 4.715 -4.180 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 -4.082 17.464 -5.946 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 -0.512 2.213 3.243 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 -2.709 16.151 14.848 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 6.486 -18.078 12.269 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 0.973 -2.771 4.734 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 -2.938 0.149 6.063 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 -2.579 -6.284 7.806 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 -1.064 0.168 -0.118 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 11.090 -12.470 12.596 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 0.191 -2.655 -8.886 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 3.545 3.379 -1.043 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 3.952 -3.696 15.780 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 15.343 -6.567 -22.692 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 3.686 -0.136 2.667 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 1.024 4.159 9.822 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 16.527 -3.847 1.282 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 0.153 9.198 -0.425 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 9.633 -17.040 -1.351 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 -8.646 17.070 7.756 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 4.491 -6.934 1.847 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 20.245 -22.391 -75.544 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 2.726 3.959 36.950 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 0.887 0.899 3.081 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 11.035 14.051 10.241 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 8.116 -2.989 -11.212 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 1.508 3.169 -0.633 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 0.212 -2.022 -10.552 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 9.057 -7.076 2.640 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 4.862 4.043 -4.408 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 -4.654 -4.697 9.202 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 19.438 5.025 -3.268 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 -2.787 -1.722 -4.664 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 -15.585 8.310 -3.741 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 4.441 14.315 1.869 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 1.590 5.134 1.486 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 -3.438 5.136 -15.948 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 -2.522 12.651 -6.737 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 0.904 -2.255 0.947 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 -2.685 2.959 -17.875 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 11.928 -12.395 7.213 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 -3.815 -1.716 0.235 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 -20.049 -13.357 11.694 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 8.006 6.670 -7.548 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 -2.171 -7.853 2.331 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 2.067 0.348 2.348 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 -7.736 1.443 11.902 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 4.342 -2.825 -6.818 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 -5.668 -9.749 -18.271 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 14.442 -6.266 -0.538 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 -0.982 2.020 0.551 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 -4.406 6.358 6.475 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 -4.231 3.089 3.125 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 -2.778 -1.559 0.620 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 -15.980 -8.499 8.072 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 -4.408 -7.318 -8.036 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 0.162 -7.186 -8.590 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 -2.594 -4.718 -40.479 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 -14.563 -8.047 2.424 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 -5.387 11.441 2.485 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 -9.971 13.090 8.058 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 -26.365 17.250 21.126 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 5.024 2.959 1.473 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 2.936 6.444 -1.170 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 0.537 21.585 -29.917 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 -5.115 -2.001 1.567 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 -8.190 -15.402 14.638 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 -1.038 2.641 7.464 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 5.618 -1.953 3.960 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 0.674 -8.590 1.488 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 14.645 -2.440 6.356 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 1.875 1.951 0.514 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 11.649 3.828 -0.372 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 3.517 0.956 -7.467 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 2.319 -0.399 5.542 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 -1.152 -8.451 15.702 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 6.572 2.014 -7.700 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 0.856 6.628 2.803 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 -8.319 6.830 -1.104 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 5.220 22.272 3.499 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 2.042 -6.604 -9.704 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 -7.023 -3.528 -11.633 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 5.991 0.540 -3.597 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 0.195 5.307 0.628 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 2.237 -15.885 -5.312 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 3.599 11.773 -16.694 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 -7.326 -1.326 -2.822 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 -3.742 29.533 13.561 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 -14.301 -1.967 13.061 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 -5.038 7.635 -2.849 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 -0.527 10.303 17.604 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 -5.572 -12.027 5.441 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 -4.603 1.644 7.877 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 2.795 5.559 -2.287 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 -3.745 -4.020 7.758 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 -3.354 0.245 2.624 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 -1.375 3.833 1.925 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 -6.638 -9.666 0.671 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 -4.114 -2.550 2.849 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 -9.892 -1.235 5.597 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 -0.626 -3.603 -3.308 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 7.653 1.889 -0.257 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 14.311 1.884 -22.426 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 10.638 21.607 7.183 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 -1.604 -3.594 -1.687 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 15.203 5.951 -3.596 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 18.219 -14.565 4.824 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 -2.456 -3.008 6.453 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 0.751 -0.133 -7.124 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 -4.435 -14.802 2.945 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 7.576 -1.404 4.162 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 11.074 -10.817 -25.767 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 7.756 -12.525 11.049 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 3.196 0.125 4.215 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 15.911 8.046 2.707 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 -12.815 9.485 -9.969 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 0.868 -2.214 -2.854 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 -1.469 19.177 15.124 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 0.002 -23.310 -26.190 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 -1.792 3.720 -6.068 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 11.835 6.131 -4.095 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 8.474 -4.069 2.940 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 -0.248 10.079 -0.732 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 -0.405 10.594 0.939 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 -2.955 14.895 11.083 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 4.535 4.846 -4.053 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 -7.229 -1.214 6.728 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 3.319 2.366 -8.461 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 -4.870 1.705 -3.396 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 3.001 11.702 -8.274 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 13.026 34.880 1.362 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 5.042 -1.299 0.623 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 -6.170 -5.675 -43.813 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 -6.007 16.042 4.636 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 -1.127 -4.568 1.620 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 -4.280 8.809 34.684 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 -27.983 10.659 -16.985 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 2.614 1.468 -1.801 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 16.075 10.304 -25.367 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 6.420 22.822 23.283 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 0.777 6.760 -2.144 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 27.974 1.655 -6.427 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 -4.465 1.116 -13.161 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 -4.866 -1.181 -2.004 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 -4.554 -7.739 -1.857 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 -5.068 11.763 21.170 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 5.029 -1.492 -1.318 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 19.437 -19.078 -14.092 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 17.426 6.263 1.185 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 1.903 -4.554 2.789 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 -4.004 32.817 -38.086 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 9.418 -14.313 8.345 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 -1.389 -2.087 -0.843 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 10.387 13.354 -13.590 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 13.124 14.194 -11.729 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 7.248 -2.355 4.173 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 -12.130 -1.155 -10.698 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 -12.068 -3.213 19.369 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 -3.017 4.404 -2.626 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 -11.034 10.735 -7.534 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 23.318 13.911 0.033 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 -2.505 -2.479 -2.969 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 -28.073 -9.457 -13.334 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 5.380 -16.429 -18.395 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 -3.126 1.214 -2.623 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 -2.096 -8.458 11.028 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 14.521 -2.559 -3.597 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 -0.507 -3.169 4.949 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 -3.365 4.287 -1.724 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 1.554 1.071 -3.445 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 -1.325 2.676 -2.074 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 -1.849 7.572 5.260 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 14.437 5.937 15.925 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 3.171 6.431 7.821 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 -22.181 -13.419 16.667 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 -31.931 -19.425 -12.546 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 0.629 0.487 -3.069 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 4.204 -7.217 -1.374 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 -3.656 9.428 -4.353 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 -0.930 2.682 -3.259 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 32.733 -9.148 12.722 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 -11.042 13.487 -7.718 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 -0.552 4.086 0.522 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 0.979 14.312 -14.050 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 -10.512 -4.065 4.708 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 1.011 -0.312 4.610 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 -8.090 12.203 17.758 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 1.414 -12.612 -45.948 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 -1.493 3.143 0.586 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 -9.448 29.768 -20.607 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 -3.827 9.520 7.972 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 -0.765 0.004 -0.420 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 -3.533 -26.456 23.918 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 3.818 -23.931 8.997 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 5.779 5.602 1.992 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 13.562 -3.647 3.399 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 4.246 -4.551 27.399 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 -1.284 -2.827 5.513 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 -5.794 -2.291 2.336 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 -2.684 -6.926 9.366 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 -9.653 -8.489 -1.992 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 -4.663 -20.250 9.825 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 -12.484 -13.516 -5.888 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 -6.817 11.637 -3.759 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 2.028 31.652 -12.005 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 10.273 6.252 -28.655 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 -6.123 -2.432 -2.678 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 -28.256 2.857 11.613 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 -5.215 -4.631 3.804 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 -0.900 5.277 6.891 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 -9.341 15.815 24.533 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 2.002 3.046 3.015 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 -1.548 -3.024 4.533 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 9.672 -8.908 7.379 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 -8.201 -13.639 5.781 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 0.377 3.643 0.945 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 -6.005 11.898 -0.117 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 -13.538 27.639 -16.860 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 0.614 3.256 10.179 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 13.591 11.269 -4.467 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 46.022 -8.326 -21.907 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 5.397 8.558 -3.678 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 -7.616 13.023 10.834 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 16.730 -13.600 6.741 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 2.718 -2.700 -2.470 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 0.186 5.859 11.825 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 2.018 14.359 -1.608 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 -1.560 -1.104 3.413 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 1.438 8.319 -21.297 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 -33.784 4.043 -1.206 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 -3.516 -2.294 -4.165 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 -4.263 -5.160 -1.594 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 -16.354 -0.067 -28.644 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 4.903 6.530 1.569 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 -4.741 -12.454 20.360 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 -7.191 -1.751 -10.920 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 -1.886 2.285 -5.901 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 13.061 -22.888 -2.191 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 7.065 -1.523 16.454 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 5.095 2.854 2.658 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 -16.934 -24.846 5.716 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 0.398 1.447 -12.200 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 -4.477 7.376 -2.642 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 -3.397 -7.647 -10.476 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 -18.997 3.045 -12.342 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 3.160 2.144 5.442 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 -2.732 -4.871 1.505 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 -11.812 6.160 5.597 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 0.887 2.492 -1.854 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 22.977 1.516 -14.153 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 -10.930 -8.971 8.845 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 -6.045 -1.978 -5.892 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 -8.184 -19.898 -21.137 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 -7.948 -16.942 -18.113 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 0.077 -2.193 -3.145 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 6.860 -16.424 -3.833 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 -0.837 -3.086 22.592 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 -2.513 8.541 -1.467 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 5.891 2.202 13.857 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 9.617 6.791 -6.548 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 -0.189 2.633 -1.482 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 -8.696 -14.202 4.705 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 13.492 35.097 8.679 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 5.228 -0.172 -4.005 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 -2.104 -5.833 -13.388 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 12.243 5.525 10.957 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 5.348 6.889 -0.796 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 -27.243 16.098 6.280 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 0.223 8.157 -0.119 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 -3.131 -5.066 0.204 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 -0.131 -5.243 4.637 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 10.140 -18.992 3.435 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 4.761 -5.778 4.645 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 10.900 -17.591 15.153 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 17.728 8.149 2.053 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 -3.608 -0.567 -8.232 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 -0.241 13.219 -1.866 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 -3.595 -14.877 -0.006 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 1.445 -2.517 -3.599 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 0.903 -5.544 0.532 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 1.602 -6.508 -6.250 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 0.888 10.820 -10.893 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 8.752 4.508 -10.020 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 22.475 12.043 -2.784 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 2.378 -2.445 0.464 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 4.595 15.522 4.089 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 -19.405 -3.444 -9.563 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 5.950 -0.693 -9.930 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 17.062 0.422 5.177 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 -0.795 -2.117 -28.617 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 -1.034 0.919 3.858 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 -4.237 -14.334 8.027 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 3.567 7.929 -4.519 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 -2.029 -1.804 -6.918 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 4.789 -4.707 -4.162 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 -18.892 -24.161 -11.943 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 0.128 5.250 -3.802 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 -10.560 0.279 -16.535 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 14.451 10.224 -10.804 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 7.699 4.787 -1.298 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 2.898 6.911 4.876 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 5.283 -9.475 1.749 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 7.687 -4.245 -1.788 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 -1.923 7.165 -3.638 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 12.677 -1.539 12.328 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 0.992 1.933 1.836 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 15.177 22.211 5.402 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 -2.464 -6.016 -18.772 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 3.999 -3.666 -0.347 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 7.770 -0.241 -11.347 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 7.222 -14.181 8.960 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 5.187 -1.015 -1.477 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 -21.489 18.360 8.431 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 3.369 6.812 7.710 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 1.354 -3.091 4.207 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 1.861 -3.527 -11.519 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 8.143 -9.132 6.980 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 11.095 -6.745 1.469 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 10.917 -22.063 8.454 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 -5.104 -19.488 21.040 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 -5.349 7.301 0.579 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 -8.229 -0.367 3.507 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 -1.127 11.075 -0.233 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 2.293 -8.404 2.506 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 10.173 14.120 -11.591 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 -8.628 -22.877 -4.796 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 -2.335 0.041 3.487 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 -11.940 -4.008 20.902 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 9.205 7.830 19.312 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 6.904 1.876 0.132 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 11.376 5.881 -21.796 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 -8.571 -13.056 16.226 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 -0.430 -0.918 0.187 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 -9.213 1.621 15.028 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 18.571 0.876 1.886 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 6.500 -1.512 3.901 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 17.210 11.762 -6.544 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 15.266 3.620 24.555 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 1.275 -1.630 5.127 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 -1.263 -7.334 7.537 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 -10.128 18.771 -19.573 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 2.168 0.471 2.820 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 -6.757 5.074 19.622 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 -2.763 15.733 -8.691 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 -0.639 -3.922 -2.267 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 -7.357 0.803 -14.305 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 4.766 -4.047 -1.825 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 5.748 0.987 1.708 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 6.612 8.991 -9.836 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 14.367 1.110 2.582 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 -4.863 5.524 -1.005 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 14.544 -11.676 3.943 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 -25.219 14.392 -8.263 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 3.460 -3.508 3.482 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 22.305 3.198 5.172 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 3.985 -13.729 5.385 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 5.642 1.479 -2.968 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 -3.608 9.549 -13.510 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 3.086 -4.201 1.555 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 1.393 -6.084 -2.109 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 9.654 14.036 -7.949 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 20.958 -6.116 -6.169 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 6.407 2.397 -8.154 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 2.571 -0.557 -10.055 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 1.778 -4.123 2.758 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 -1.556 5.887 1.892 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 -2.227 -16.270 -17.654 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 -4.764 7.967 -1.725 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 -5.353 2.947 4.357 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 16.710 -21.059 17.409 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 -0.801 4.636 -27.226 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 -2.670 -1.719 -1.045 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 16.781 -8.302 -3.682 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 26.643 -14.407 0.086 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 6.867 1.941 -1.588 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 21.186 -2.258 -15.730 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 14.057 6.982 3.609 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 4.931 6.499 -5.006 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 -1.156 -22.230 -17.662 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 4.111 -0.825 -8.541 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 -4.579 -0.767 3.416 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 -12.589 -20.956 -1.355 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 -3.543 14.620 -7.832 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 -1.308 1.411 2.901 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 8.723 -9.631 -5.357 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 0.412 10.853 10.479 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 1.051 0.120 -4.504 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 15.240 -6.338 -27.217 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 -10.922 25.281 -16.073 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 -4.768 3.132 2.405 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 -15.426 2.585 -11.603 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 8.677 -6.579 -2.830 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 -0.597 -1.991 2.995 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 -6.571 20.959 7.246 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 -1.417 20.889 -8.073 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 2.595 -4.859 -5.094 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 -3.581 -11.921 3.720 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 5.803 7.157 0.055 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 -0.035 -9.821 -1.054 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 1.049 -8.902 -11.379 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 -0.979 -13.773 23.538 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 -4.838 5.545 6.419 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 8.323 -4.391 9.986 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 15.893 -10.965 13.643 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 4.553 -4.750 -3.901 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 8.868 -2.922 -14.532 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 0.829 -8.680 -4.999 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 3.155 -2.039 3.698 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 -2.913 -4.430 4.764 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 20.472 3.756 0.741 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 4.158 -1.726 4.703 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 7.149 -5.152 7.731 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 -5.906 -3.030 -4.116 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 1.323 3.215 -3.613 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 3.921 -28.451 -8.196 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 -12.275 9.469 20.068 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 3.688 -1.734 3.162 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 3.982 5.083 -3.811 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 0.049 23.212 -15.406 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 2.709 2.796 -0.700 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 22.712 -3.744 1.254 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 -6.324 -14.331 -6.560 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 6.325 -0.916 -1.253 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 -2.466 -18.328 3.055 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 5.301 -1.446 -0.857 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 -1.425 4.072 1.579 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 -8.633 -4.414 3.531 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 -21.546 2.902 8.584 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 1.483 -5.020 1.584 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 3.931 -10.659 11.536 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 8.891 -17.126 26.073 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 1.239 -1.111 -1.583 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 -1.848 -19.959 31.715 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 16.505 16.143 -3.552 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 7.899 0.399 6.589 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 13.768 8.476 -3.460 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 25.128 0.391 6.309 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 -13.842 6.534 -8.027 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 -14.969 -6.150 24.856 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 2.868 5.051 -3.130 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 -0.019 -4.377 1.110 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 6.000 7.552 24.592 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 1.872 -3.977 -0.323 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 -3.662 -3.636 -9.643 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 -2.732 3.146 -13.447 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 -1.772 -5.050 -9.481 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 -3.286 -2.492 6.876 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 -5.907 -12.855 -4.889 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 7.717 6.975 1.918 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 0.967 3.849 2.999 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 -0.003 8.146 -8.552 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 15.332 -2.721 -0.437 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 9.820 -3.028 2.428 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 24.301 -0.185 -11.987 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 -3.441 2.261 2.423 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 -3.289 6.883 6.270 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 3.101 5.650 0.708 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 -4.628 1.483 17.520 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 2.595 -5.409 2.969 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 -3.622 -13.957 7.944 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 4.697 -6.006 4.589 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 3.040 -5.830 -2.724 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 13.061 -9.235 -13.494 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 -5.422 -1.299 7.624 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 -3.137 7.960 -4.142 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 -13.821 5.219 8.248 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 -7.702 6.301 -0.128 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 -0.406 -0.152 6.136 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 4.042 -0.546 4.374 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 0.885 -11.245 10.109 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 0.238 2.446 -2.654 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 -9.620 -6.519 -2.182 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 7.031 7.999 -1.745 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 -1.615 -4.300 6.485 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 -2.124 -20.932 -1.509 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 15.256 -3.149 15.493 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 5.494 3.234 0.823 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 -12.659 13.061 -3.923 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 -26.448 24.010 -2.785 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 1.311 6.412 -6.439 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 -3.174 -5.193 -5.609 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 4.426 24.452 4.129 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 0.198 4.178 5.238 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 -31.919 2.166 13.338 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 6.510 29.998 -6.706 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 2.977 2.285 -3.307 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 -5.107 -7.357 0.909 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 5.544 1.957 -3.637 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 -2.015 9.942 2.952 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 -0.230 16.053 -0.898 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 -3.313 1.186 11.214 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 -7.013 3.299 -2.608 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 7.698 16.167 -10.829 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 -1.295 6.721 -18.268 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 3.037 3.305 -0.915 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 5.040 -4.085 4.889 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 -12.028 27.381 0.704 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 -5.640 -6.186 -0.587 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 -9.422 -9.317 -6.954 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 5.004 -0.737 6.967 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 0.415 0.024 -6.782 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 -14.354 -6.385 12.003 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 -6.050 -5.899 -2.152 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 2.326 2.871 2.131 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 -2.380 1.111 -14.213 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 -0.529 19.433 5.254 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 2.028 8.366 -4.975 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 -9.297 -10.542 -25.908 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 -5.738 6.184 -0.796 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 1.120 -2.010 -3.798 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 3.938 9.622 -8.263 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 2.242 -9.682 -12.703 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 1.338 6.965 1.034 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 -3.218 8.417 10.525 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 3.008 -6.542 8.512 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 4.748 -0.868 5.786 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 0.359 -5.494 5.945 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 2.249 4.806 7.950 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 3.156 -4.339 -2.272 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 4.494 -7.537 1.807 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 1.169 -17.554 11.482 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 -1.524 -1.205 -0.175 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 -0.062 1.371 2.262 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 -1.429 0.304 1.503 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 -1.435 -2.944 -3.720 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 -4.546 1.270 -1.963 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 -1.088 -2.450 -4.314 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 -0.845 -2.870 3.032 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 -1.266 -9.948 -6.601 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 15.087 1.436 -17.522 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 4.718 1.674 0.109 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 11.385 11.052 -4.427 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 10.904 -2.244 8.318 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 -4.224 0.791 1.794 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 8.992 -7.933 -11.699 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 5.359 -16.115 3.003 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 3.363 -3.256 -2.724 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 1.815 -12.691 3.318 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 -1.475 -4.780 3.960 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 0.586 8.328 0.199 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 12.762 -9.157 16.666 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 9.760 0.960 10.383 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 3.747 -1.915 3.272 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 6.185 9.588 15.049 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 12.528 -3.971 -17.815 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 3.103 -1.959 1.460 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 0.485 -1.785 -30.525 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 16.378 20.825 4.011 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 -3.923 1.937 5.695 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 20.257 16.807 0.635 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 -0.845 -10.233 -7.914 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 -9.908 4.595 -3.497 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 13.580 4.018 -4.744 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 2.682 -15.275 12.847 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 3.617 -1.884 -6.665 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 9.017 20.731 11.439 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 -7.617 18.222 3.299 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 -0.282 5.553 -2.241 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 -3.742 2.589 -0.014 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 7.399 11.067 -3.630 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 -5.895 1.375 1.884 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 -0.492 7.319 -9.218 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 -17.975 3.409 -4.252 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 3.710 -8.299 -2.954 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 2.966 -12.330 8.121 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 -9.958 2.279 -21.240 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 -0.938 4.825 -6.864 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 -30.482 -4.696 -11.985 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 7.134 6.885 -6.989 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 0.343 -2.937 4.910 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 -23.303 13.662 2.190 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 7.799 -6.759 5.202 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 4.547 -1.546 -2.659 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 0.519 26.361 8.845 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 -8.073 -14.452 -10.035 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 1.680 -4.718 -0.043 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 -11.048 -1.597 -3.918 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 -10.176 8.020 -17.310 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 0.155 8.684 1.978 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 -3.771 -2.391 -2.760 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 3.892 4.298 0.646 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 -1.816 1.040 -6.721 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 -0.878 -3.749 -5.542 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 1.460 6.167 9.248 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 1.436 -0.429 0.436 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 -19.111 9.654 -3.544 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 9.552 -10.814 9.633 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 -2.200 -4.990 0.408 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 -34.936 -14.031 17.760 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 -0.448 24.180 12.902 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 0.003 -4.281 -4.081 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 -6.043 10.478 -11.199 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 8.551 0.818 -13.179 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 0.972 -2.531 -12.999 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 -3.686 2.932 -5.527 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 -17.255 -14.374 -16.205 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 0.559 -1.656 0.241 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 -2.305 -3.159 19.513 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 -10.344 -6.192 -15.140 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 7.395 -3.861 2.283 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 5.153 -10.020 1.658 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 2.505 2.083 0.068 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 -3.135 5.296 -2.895 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 -4.515 -5.958 -5.816 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 -14.263 -11.818 -13.065 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 1.505 2.031 2.269 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 -1.803 7.115 -6.965 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 -6.393 12.436 -22.231 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 -4.435 -3.280 -12.305 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 -5.253 1.346 -20.427 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 -12.907 -11.047 17.217 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 -3.025 -1.645 -0.478 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 -7.163 18.028 4.918 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 -0.038 -1.782 -6.118 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 -7.714 0.283 -4.726 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 -15.031 8.237 -4.332 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 -5.378 -5.575 -7.523 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 6.618 -1.079 3.552 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 7.347 9.573 33.072 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 6.926 -6.644 -5.322 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 -2.255 1.896 5.137 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 9.213 -15.737 5.027 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 -0.859 -0.205 9.698 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 4.426 -2.239 1.473 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 -1.056 7.490 -5.144 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 13.327 1.442 6.977 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 2.482 3.580 -1.033 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 1.802 4.879 3.567 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 14.235 3.025 -1.360 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 -1.363 -1.734 -2.931 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 7.014 9.719 17.047 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 -3.663 7.803 4.629 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 -8.820 0.934 1.461 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 19.866 -23.724 -10.182 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 -13.014 12.031 13.743 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 -6.665 1.643 3.650 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 17.876 30.027 -5.275 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 5.653 -0.177 20.860 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 -3.666 0.492 -5.912 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 21.254 8.165 -21.599 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 9.524 -23.390 -15.701 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 0.959 4.107 1.312 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 2.271 8.355 -1.474 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 0.404 9.716 -0.583 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 -2.462 10.214 2.462 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 -8.767 0.666 1.460 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 3.611 8.378 8.633 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 -4.515 0.668 2.829 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 -3.524 1.602 -0.268 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 -19.648 -18.547 20.912 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 4.361 -0.788 -1.797 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 -7.936 21.752 -3.644 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 -0.459 15.853 -3.607 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 -8.713 -2.059 1.575 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 15.309 -7.741 -3.237 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 29.892 -11.212 -23.711 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 -4.069 -3.579 1.160 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 -11.276 4.417 21.578 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 -11.884 -19.287 -14.860 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 0.291 -1.697 1.378 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 -8.324 2.742 16.730 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 -0.855 -10.748 19.141 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 3.535 6.407 -0.388 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 12.000 10.469 -6.105 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 10.242 -2.656 -2.118 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 -2.478 3.706 0.471 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 -18.817 21.956 -27.597 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 -5.469 9.362 -12.636 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 2.059 -2.052 -2.701 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 0.527 3.467 13.344 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 3.804 -0.774 -13.866 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 0.473 -1.821 -1.509 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 16.367 -5.272 -8.234 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 -7.364 -5.627 -19.236 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 -1.634 -3.220 3.231 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 -2.098 0.029 -2.560 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 9.774 -5.916 1.324 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 2.104 -6.197 8.574 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 -7.055 -3.258 -1.265 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 3.217 -9.696 8.019 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 3.737 -4.370 -0.041 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 2.435 -11.882 -16.536 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 2.744 10.545 -6.640 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 -1.953 2.322 -6.432 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 -4.834 11.813 -3.787 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 5.198 0.876 0.752 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 -7.242 2.600 -3.379 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 -9.145 0.548 8.044 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 2.759 -4.409 -0.161 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 -2.300 1.529 0.716 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 8.777 -1.567 13.901 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 -15.847 -8.773 -5.483 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 4.148 -4.903 5.017 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 35.350 5.216 6.833 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 6.558 -4.714 4.527 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 -5.994 6.756 -2.470 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 26.850 14.119 16.027 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 -0.525 -14.171 -0.522 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 -1.321 1.575 0.385 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 -12.688 -18.133 -10.521 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 -14.281 -0.623 -3.186 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 -7.856 2.262 -2.097 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 -13.156 32.298 -5.032 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 20.718 20.832 2.888 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 -8.659 0.108 -0.529 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 -5.094 1.008 -0.501 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 -6.008 -2.790 -3.001 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 2.490 0.920 2.904 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 -1.759 -3.088 -0.110 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 2.841 25.632 4.855 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 0.358 -2.168 -0.969 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 9.841 0.402 0.876 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 2.043 -5.039 5.681 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 4.443 -2.118 -0.587 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 22.173 14.615 6.024 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 11.471 8.261 -8.557 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 3.972 2.218 -9.647 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 0.093 11.752 -6.091 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 10.247 5.576 -17.891 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 -2.348 -4.438 5.596 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 1.200 -5.481 -9.022 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 -0.445 -4.488 -31.140 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 -3.661 -0.577 0.939 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 -11.991 9.585 20.712 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 7.470 -22.524 8.845 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 0.132 -0.799 0.669 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 18.052 11.141 -26.108 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 -1.698 -3.980 21.924 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 1.163 -1.125 9.557 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 -3.858 -9.736 17.396 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 -9.228 -1.080 8.898 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 -3.097 -1.860 2.996 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 -3.595 -12.738 1.787 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 12.085 0.936 22.915 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 -6.015 -0.881 -1.223 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 35.467 19.840 -21.239 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 -19.252 -19.924 36.740 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 0.850 -4.425 2.064 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 -10.117 1.252 -1.607 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 3.158 1.693 13.057 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 -5.527 -2.398 0.469 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 -7.012 -15.440 1.684 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 -11.199 -15.828 5.953 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 3.455 8.650 -5.236 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 4.409 12.977 -12.491 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 -8.986 -2.359 0.308 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 0.962 5.410 -1.358 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 -5.396 -9.089 -8.276 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 22.080 15.707 -14.854 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 2.504 0.338 -4.785 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 -1.589 -35.409 -22.275 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 -27.157 -10.690 19.974 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 -0.695 0.414 2.545 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 -9.809 6.432 0.212 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 3.164 4.845 8.438 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 -0.394 2.671 0.592 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 31.194 -18.218 -14.993 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 -19.535 -1.567 0.460 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 1.571 -0.603 -0.359 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 -9.913 8.596 3.140 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 -1.924 4.011 7.448 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 -1.504 -2.509 0.289 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 -1.835 4.577 -11.745 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 -3.385 -0.164 0.279 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 1.651 -6.761 -1.671 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 13.479 16.862 -23.267 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 -23.118 -3.675 3.271 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 9.235 -5.706 -2.240 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 13.644 -14.097 -10.758 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 20.822 10.338 3.835 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 -0.534 0.485 -3.103 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 -11.615 0.995 1.268 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 10.623 5.790 -23.504 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 0.456 6.343 5.048 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 -7.281 -5.459 5.572 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 18.354 4.779 14.709 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 -4.147 -6.898 2.638 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 3.353 -4.007 12.243 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 -4.718 18.214 -11.855 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 4.440 2.649 -0.065 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 25.194 5.680 6.499 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 -3.446 14.615 -3.761 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 1.220 -4.504 1.609 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 2.820 -12.989 -12.535 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 0.381 -11.290 -41.655 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 2.966 -0.123 5.962 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 -13.646 -14.509 -9.186 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 10.946 24.679 6.718 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 -3.117 8.403 -0.277 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 -7.114 -5.290 11.730 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 -6.259 -1.324 -9.630 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 -2.729 6.466 -0.605 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 12.687 21.203 -3.931 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 -12.504 9.798 3.252 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 1.770 2.185 2.682 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 15.898 -22.033 0.768 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 -12.196 4.983 -9.470 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 -4.272 5.144 -4.362 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 -19.429 15.246 -5.967 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 2.354 1.833 -14.769 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 -2.485 0.840 6.257 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 -1.668 2.618 2.702 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 -2.660 5.849 15.859 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 -6.515 -3.766 3.586 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 -8.534 -10.658 7.184 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 -8.544 -5.084 -2.998 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 -7.769 -4.391 0.670 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 -17.404 -9.504 -7.263 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 23.643 -14.448 20.455 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 -3.184 -1.973 -0.392 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 4.260 11.674 -3.187 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 -17.470 -4.033 -8.809 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 -0.362 6.253 4.457 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 1.905 6.213 -3.403 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 -5.043 10.091 26.413 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 2.088 1.250 -0.512 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 -0.872 -3.256 -29.105 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 0.274 10.588 0.924 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 -0.099 -2.472 -0.565 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 9.357 13.859 -3.945 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 3.200 16.509 0.425 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 -1.238 2.547 -2.167 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 12.114 3.176 4.980 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 -11.186 -5.046 5.128 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 0.374 -2.761 4.768 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 31.229 -2.619 -0.688 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 -26.023 6.657 6.667 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 -3.547 6.377 0.950 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 9.822 -8.738 -0.442 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 0.929 1.298 4.235 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 2.636 6.094 -6.107 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 3.969 -14.332 -23.822 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 -12.538 19.314 -2.392 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 3.397 -7.060 -7.519 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 -8.989 0.651 15.500 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 16.722 2.757 -3.406 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 2.699 2.905 1.084 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 0.439 -12.367 4.234 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 12.344 -9.088 4.604 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 -4.294 -0.081 6.400 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 -23.984 16.480 11.016 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 2.936 9.541 15.802 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 0.562 -3.517 4.197 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 3.715 -5.810 9.831 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 -5.065 1.640 12.209 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 -4.426 4.082 1.652 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 10.647 18.708 11.114 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 -15.246 -0.748 -2.445 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 -15.408 -4.063 1.739 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 -22.892 17.485 16.691 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 -36.304 -5.046 -12.499 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 -6.897 0.555 4.057 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 -13.860 -0.676 13.310 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 -13.601 2.924 13.421 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 -5.735 -3.901 -1.416 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 -12.374 -10.055 -5.491 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 -4.465 -14.353 17.815 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 -1.022 -2.419 2.850 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 29.895 13.723 -4.613 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 -12.506 -7.721 -5.341 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 -3.330 2.516 -0.930 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 24.640 -18.271 7.417 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 -3.044 15.141 5.842 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 3.971 5.120 4.843 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 -3.990 7.540 -6.624 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 2.410 21.150 13.654 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 -0.641 -1.159 -1.777 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 -0.046 -3.160 -1.845 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 1.654 10.208 1.950 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 -0.013 4.083 3.635 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 16.279 -8.231 9.866 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 3.359 4.681 5.191 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 -6.334 2.518 -3.260 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 6.822 -10.677 24.960 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 -22.607 16.894 1.692 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 -3.217 5.135 -1.311 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 -16.016 -7.072 -21.384 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 3.868 -5.492 -3.161 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 6.206 -0.683 2.241 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 26.274 -12.221 4.264 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 9.467 12.556 3.908 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 -1.404 -1.619 3.364 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 15.346 -20.159 -48.420 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 6.380 -11.176 0.485 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 -5.404 5.691 -0.041 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 -9.118 7.386 9.783 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 -1.086 11.671 -6.836 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 -4.981 -1.945 0.032 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 -9.884 0.270 37.786 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 -2.950 0.561 3.548 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 11.275 -0.848 -5.620 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 3.397 -16.286 0.571 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 10.637 0.499 -7.904 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 5.832 0.707 2.088 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 -1.782 0.430 -8.746 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 7.154 10.382 14.072 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 1.339 -4.442 0.850 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 5.034 10.121 -19.388 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 7.045 -4.791 -8.538 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 5.782 4.042 -2.737 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 12.581 10.571 -1.350 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 -8.120 -2.433 -14.244 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 -0.268 0.511 1.875 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 -1.936 -2.940 -2.870 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 1.103 -2.639 7.792 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 0.636 -3.126 0.686 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 5.648 -3.895 3.589 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 -3.091 -12.409 -4.786 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 -0.817 -1.258 -0.672 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 7.384 -1.811 6.781 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 26.234 -26.040 23.668 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 1.646 0.382 1.459 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 -6.259 3.501 4.772 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 3.578 -0.161 -12.251 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 6.523 -4.529 -3.584 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 4.697 9.591 11.138 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 -4.760 -7.377 2.913 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 -0.198 4.329 -7.283 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 33.970 17.445 7.533 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 -4.032 -5.168 9.502 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 3.244 -5.516 3.332 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 -7.710 -10.543 11.206 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 -17.124 0.135 0.923 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 -4.111 -2.034 4.404 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 -4.330 -2.109 3.045 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 9.783 -24.832 1.685 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 -6.778 -6.569 4.829 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 -21.226 -4.390 16.393 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 -3.797 4.483 22.788 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 -0.804 -5.956 -3.659 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 -1.988 8.617 -15.219 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 -0.325 -2.190 5.393 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 4.720 0.291 2.153 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 -7.518 -60.601 -25.696 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 12.426 -17.164 -30.458 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 -3.698 7.584 -8.804 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 -18.194 17.879 -24.273 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 11.210 15.865 -16.099 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 7.955 -5.804 -4.864 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 34.277 1.930 5.191 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 8.501 -6.002 -5.100 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 5.842 -5.371 10.350 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 -5.657 -5.951 -24.198 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 10.571 -2.857 15.399 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 4.537 4.320 -3.152 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 -24.162 2.006 -11.052 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 -16.898 -1.284 15.126 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 0.993 1.727 0.799 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 6.285 -14.317 -9.645 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 -10.715 9.738 38.611 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 2.366 2.483 1.083 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 18.862 23.188 3.926 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 0.357 0.549 0.970 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 -1.913 4.107 4.054 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 -16.792 2.129 13.692 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 5.090 -9.138 -0.958 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 -1.486 0.666 1.180 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 -15.639 1.802 -3.080 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 -20.424 13.374 19.287 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 2.154 2.770 -1.900 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 2.779 -6.988 -21.804 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 2.837 -11.472 -29.215 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 -0.898 -2.066 -3.537 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 1.909 -14.057 -3.656 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 -4.048 2.418 -3.384 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 -0.085 -2.238 -0.300 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 -6.172 -16.342 13.191 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 5.325 15.812 11.405 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 4.795 -9.240 -0.326 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 -0.238 1.909 -0.402 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 12.968 -19.962 0.801 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 1.213 2.947 1.493 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 -2.481 1.026 -15.298 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 4.112 3.055 -21.122 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 -0.553 -1.148 8.323 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 11.224 -5.251 6.148 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 3.535 -12.504 -2.275 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 -3.587 -1.653 -1.255 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 22.462 -15.029 -5.154 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 -16.317 13.231 1.524 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 -1.780 2.955 3.238 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 19.237 5.905 26.196 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 -8.441 13.792 -21.131 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 1.900 4.005 -5.845 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 -1.791 17.071 -2.614 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 17.067 -5.248 -16.168 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 0.643 -5.354 -0.625 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 3.604 6.695 3.249 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 0.776 -19.129 -0.444 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 -4.636 -1.873 10.944 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 -4.907 5.870 8.098 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 -3.397 -5.100 7.063 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 7.838 -2.343 0.381 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 3.330 -13.689 -11.601 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 -6.947 4.002 6.013 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 -0.078 3.545 4.604 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 13.741 -23.621 -0.080 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 -9.373 20.369 4.820 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 1.413 3.430 -6.267 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 38.404 -10.167 -17.316 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 -4.254 7.900 -8.513 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 1.035 -10.335 -2.287 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 19.384 0.124 15.178 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 -9.284 0.068 -1.329 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 -5.125 -6.769 -2.257 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 -10.256 33.864 -1.261 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 6.787 15.125 -16.228 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 -5.620 -4.105 -4.372 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 1.936 -3.709 -9.591 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 -15.142 -4.592 2.694 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 0.067 0.360 4.179 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 16.458 -11.715 5.933 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 -3.537 3.635 -4.954 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 1.918 4.875 -1.278 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 -13.452 13.052 6.658 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 33.053 7.634 -18.551 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 -4.228 0.852 -8.986 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 -7.947 11.231 -13.719 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 -6.984 -0.736 -12.756 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 7.288 -3.308 6.558 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 16.611 -6.421 13.608 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 22.476 -6.580 17.513 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 2.702 2.766 1.552 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 -19.460 21.017 -15.005 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 16.858 -38.274 -7.207 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 0.128 -2.401 -0.020 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 -17.700 19.995 -12.570 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 7.812 12.854 -13.949 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 0.122 1.560 5.754 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 -11.031 -5.253 19.628 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 -17.181 -9.737 8.009 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 -0.317 3.691 0.185 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 -22.904 -1.683 1.278 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 5.837 18.625 19.919 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 -2.958 -1.913 -1.144 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 -4.952 -5.598 9.123 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 -9.277 8.467 -1.057 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 1.220 -7.277 -6.460 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 9.488 -4.068 -4.671 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 11.094 4.507 -18.758 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 -3.958 1.736 0.192 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 16.533 -11.827 18.130 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 -23.510 13.952 20.396 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 -0.738 -0.360 3.509 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 -17.229 -9.247 1.451 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 -4.372 19.448 -6.038 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 3.459 -0.237 -2.023 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 3.609 7.368 -26.219 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 15.860 -7.874 -17.480 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 -3.268 -5.619 3.044 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 -16.589 -9.606 -14.073 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 -12.371 -9.720 -7.686 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 -4.998 1.763 2.075 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 -6.507 20.961 -11.864 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 12.225 0.283 -5.201 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 -1.347 8.305 -1.627 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 2.808 -7.124 5.241 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 5.358 21.403 2.186 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 5.226 1.973 9.442 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 -2.949 -1.702 21.593 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 2.704 8.163 -9.569 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 7.592 -2.623 -2.515 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 -14.244 5.290 25.770 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 29.019 25.072 -5.972 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 3.663 -4.909 0.870 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 6.373 4.720 -17.510 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 -16.523 -0.703 5.690 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 -1.304 -2.975 -3.985 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 5.636 -6.423 13.575 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 12.970 -15.969 -22.674 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 2.358 -5.149 -1.013 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 -12.428 -1.707 -9.372 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 -9.151 6.734 -6.389 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 -2.819 -0.888 -4.039 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 6.915 -4.158 -12.872 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 -10.857 -1.397 -11.557 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 -2.870 -3.486 2.586 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 -1.784 7.830 -0.625 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 4.184 -8.060 -2.213 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 -8.548 3.753 2.986 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 0.038 10.407 -14.360 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 21.963 3.104 9.370 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 -0.291 -3.285 3.551 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 -1.697 -9.316 3.393 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 4.489 -9.763 19.668 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 -3.518 6.183 -2.559 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 -11.529 -4.471 -13.877 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 -20.553 21.321 5.878 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 -2.485 -10.188 -0.246 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 -10.859 -18.215 12.464 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 -4.807 -9.991 2.392 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 0.803 4.270 1.736 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 -4.882 -4.202 -21.218 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 7.613 -6.018 -10.044 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 1.232 -0.854 2.437 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 -8.153 -23.193 15.776 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 1.497 -6.715 9.572 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 2.045 2.708 -3.129 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 2.585 5.841 -5.156 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 -0.665 6.032 -6.231 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 6.404 1.935 2.212 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 1.334 12.242 -2.888 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 -3.488 14.503 -5.241 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 3.868 -2.222 4.661 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 -0.820 -18.179 3.342 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 0.786 -8.855 2.185 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 7.917 -1.248 -2.641 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 5.019 -3.276 11.292 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 14.195 7.994 -11.418 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 -4.397 2.677 -9.072 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 0.412 3.130 -7.806 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 -3.789 4.415 -14.477 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 1.316 1.395 -0.254 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 10.065 -9.689 17.059 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 12.891 9.960 1.775 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 -3.201 -1.012 3.079 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 -12.757 -3.089 -20.311 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 7.094 4.077 -1.092 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 5.388 1.346 -0.407 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 27.883 31.993 -11.689 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 -11.583 -16.978 -0.345 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 3.437 -2.454 -0.058 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 15.017 -12.455 25.342 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 -2.122 -12.270 17.446 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 -0.589 -2.545 3.074 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 2.078 9.718 2.965 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 13.937 -15.020 -4.409 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 -3.277 2.029 -5.843 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 -4.129 2.728 -2.154 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 -3.576 18.837 -17.096 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 -0.954 3.665 2.458 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 -6.658 11.771 -5.814 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 17.526 -21.823 26.376 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 -1.877 3.300 1.392 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 -10.843 -6.263 -16.166 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 14.941 10.971 4.964 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 -7.354 2.847 -5.443 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 29.498 14.295 -14.474 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 -28.006 2.363 -2.378 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 5.810 -0.105 -4.018 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 21.524 -9.986 -20.794 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 20.350 3.278 19.329 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 2.973 0.106 -3.531 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 -6.316 -0.595 0.548 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 -0.287 -21.945 0.868 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 -2.678 -2.716 -5.523 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 -14.627 -16.848 -20.120 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 3.183 -16.893 -15.367 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 0.430 -3.652 0.504 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 -12.449 -4.877 -5.278 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 13.097 -8.588 3.697 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 -9.427 -0.184 2.342 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 4.815 -9.567 -10.818 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 -8.158 4.292 13.910 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 -7.243 0.794 -1.290 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 -7.255 -1.273 -10.329 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 -4.457 -4.924 6.003 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 4.435 -1.308 2.673 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 -5.394 18.369 1.007 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 4.443 -5.825 11.187 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 -3.534 -7.117 3.780 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 -0.639 13.653 -9.172 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 -12.248 0.865 -7.964 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 -6.055 -9.607 1.429 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 -13.165 -13.769 16.060 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 2.238 -34.858 -5.201 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 -3.456 -0.428 -4.880 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 3.165 -0.111 1.982 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 -1.833 -3.800 0.757 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 -0.409 4.566 4.100 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 -20.425 -0.722 -3.374 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 9.551 13.915 -2.533 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 -6.143 2.706 0.423 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 -9.735 -3.289 -0.853 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 -13.568 -16.394 -10.371 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 5.229 -4.788 -4.821 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 25.298 27.259 3.973 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 5.391 -3.796 -7.068 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 -2.697 -0.456 -1.437 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 -6.333 16.272 0.886 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 1.181 0.062 -3.559 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 -2.293 2.399 1.847 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 13.050 14.363 -12.384 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 -8.394 19.299 14.676 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 -5.520 -3.855 9.456 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 -0.751 -2.189 24.679 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 -8.196 17.053 -1.941 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 -4.524 -1.116 -2.115 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 -11.123 -5.468 3.527 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 -4.965 6.657 1.665 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 7.567 1.809 3.310 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 -10.735 4.002 -1.459 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 17.358 0.273 2.625 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 2.527 -0.038 -0.768 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 -5.622 8.016 1.404 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 -13.042 20.962 3.537 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 -0.770 0.368 -3.165 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 4.701 22.665 11.780 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 0.656 -16.010 3.710 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 4.057 -7.747 -5.077 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 2.128 -23.799 4.053 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 7.742 5.811 -14.435 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 0.951 3.553 4.005 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 -14.112 10.032 18.400 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 13.594 -0.266 -3.251 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 5.147 5.937 4.767 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 12.502 1.628 -8.510 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 -1.080 -4.736 15.103 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 -4.134 -3.182 -2.787 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 2.712 25.112 14.745 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 3.452 7.875 17.274 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 -7.127 -5.337 0.322 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 -18.321 14.318 13.536 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 24.688 -2.454 17.111 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 -0.225 -1.438 -3.663 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 9.593 -23.853 26.533 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 3.162 9.929 -16.565 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 5.479 0.634 1.017 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 4.672 -9.348 -4.669 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 6.352 6.314 3.199 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 -3.514 1.957 -1.198 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 -4.176 -7.322 -17.482 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 -12.711 -5.163 7.575 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 -0.192 5.730 -1.175 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 -1.218 10.471 -22.322 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 -6.966 4.974 7.254 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 2.329 3.086 3.697 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 12.294 -9.706 -12.727 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 -2.727 -4.665 -29.405 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 -5.462 6.268 2.967 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 -1.228 -6.901 1.726 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 10.823 -12.485 20.994 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 8.618 -0.178 3.088 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 -12.463 -11.812 -20.873 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 -29.473 12.842 -11.739 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 1.834 -2.292 -7.998 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 -4.714 -9.289 2.688 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 10.380 -13.609 -16.655 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 -7.522 -1.057 4.635 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 -7.829 -4.641 2.760 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 -16.447 -1.934 7.920 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 -6.190 -0.855 4.617 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 -4.504 -5.083 14.264 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 -7.706 4.934 -8.559 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 0.403 -2.735 0.950 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 -3.436 -14.621 -9.898 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 2.988 -0.515 -5.879 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 2.659 -1.997 2.139 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 26.066 -0.282 4.709 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 0.213 -18.729 -14.169 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 0.833 -2.014 -1.603 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 -3.880 12.389 -27.971 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 4.418 3.507 1.198 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 5.978 5.564 -2.388 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 -12.049 -0.250 -2.673 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 5.357 12.963 20.063 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 -3.119 6.059 3.788 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 -31.724 5.432 21.962 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 -2.753 25.246 -22.257 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 -1.958 2.953 0.230 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 17.446 -7.752 7.858 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 -4.373 6.292 -5.507 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 3.612 -0.961 2.183 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 16.539 -48.576 14.669 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 4.609 1.919 1.943 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 1.654 3.860 -1.732 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 9.989 -0.584 5.048 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 11.512 -8.100 19.860 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 -3.889 0.454 -4.277 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 -9.943 -10.566 -10.357 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 -1.735 10.198 -12.702 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 -4.312 -1.218 -0.162 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 -11.863 -1.501 11.057 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 9.595 -17.122 -8.450 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 -0.081 -1.828 -5.269 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 9.806 17.261 -2.428 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 6.890 -6.483 31.610 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 3.157 -1.041 1.612 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 -39.001 -27.855 1.276 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 22.092 15.296 -0.238 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 -6.922 2.782 -2.723 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 -20.045 13.988 16.616 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 15.437 -1.505 6.626 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 2.544 5.233 6.011 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 15.380 -5.005 0.179 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 -7.457 31.011 6.260 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 2.007 0.553 -4.588 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 -22.628 -4.301 11.986 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 33.339 9.737 -24.963 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 2.708 -4.434 5.656 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 5.960 -6.465 4.753 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 -18.985 4.323 2.556 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 -5.697 5.966 1.314 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 -17.775 0.799 1.616 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 -8.932 11.001 -9.377 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 -5.700 -0.426 -3.220 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 -6.250 5.560 -5.030 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 -5.953 -3.766 1.184 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 -5.673 -8.942 -5.548 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 -13.135 -4.242 -15.249 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 16.460 9.201 -48.218 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 -1.008 4.158 -0.314 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 3.375 -10.034 12.524 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 3.568 13.168 -10.020 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 -2.719 1.586 -4.237 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 5.032 -8.685 13.432 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 3.481 -29.697 8.053 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 -5.842 -3.996 0.083 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 15.858 -18.089 -1.294 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 -15.590 -11.240 -1.008 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 -0.291 4.581 -5.995 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 -6.203 1.068 -20.794 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 12.471 11.033 18.357 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 -2.903 -6.553 -4.395 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 1.780 -7.778 -11.316 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 -6.566 -7.030 11.870 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 3.893 -0.722 -1.813 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 20.606 16.174 1.653 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 -7.987 4.132 -23.876 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 0.453 -2.248 4.211 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 -16.095 -10.236 13.028 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 35.414 26.586 7.285 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 -5.517 0.203 3.166 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 7.702 15.646 8.093 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 -23.531 -8.704 17.422 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 -0.942 -3.477 -5.344 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 10.475 7.070 -6.336 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 13.723 9.814 -7.085 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 1.143 4.394 3.115 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 -0.571 3.832 4.855 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 14.394 9.846 -18.070 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 -4.850 6.250 1.600 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 -10.868 25.706 -4.950 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 -7.633 -1.701 -12.266 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 2.607 -1.639 2.044 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 -6.907 10.561 6.999 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 6.649 11.065 -4.917 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 -0.116 1.897 -2.669 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 8.633 19.821 5.026 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 0.742 13.935 10.861 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 -2.618 -2.534 -2.631 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 -0.937 0.132 -4.743 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 -2.805 3.892 2.690 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 1.330 -1.138 -7.717 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 -6.348 5.804 -17.837 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 -8.167 -3.504 -15.886 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 5.830 -0.118 -1.905 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 14.651 16.265 7.914 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 12.449 9.871 13.319 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 -1.651 1.130 6.240 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 19.880 12.993 1.281 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 5.397 4.935 6.453 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 1.740 -5.888 1.628 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 2.585 -8.442 -5.782 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 -1.006 17.717 17.456 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 -0.617 -0.302 -0.764 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 -10.305 24.058 -21.001 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 -19.534 10.290 -6.318 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 2.842 2.290 6.861 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 0.493 17.031 -21.634 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 -13.609 14.736 10.041 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 -0.853 -3.088 4.162 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 -4.862 -8.198 -3.668 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 2.370 5.052 -1.288 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 -2.883 5.664 6.165 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 10.391 -19.046 -4.237 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 -9.927 16.557 10.841 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 -2.869 -4.412 0.465 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 8.802 -18.600 -2.838 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 -0.792 -3.225 -15.780 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 -1.642 -2.977 -3.420 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 11.482 1.567 -1.595 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 2.117 -5.879 11.159 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 4.223 -2.409 -1.121 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 -10.104 11.160 0.009 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 17.320 9.974 -5.122 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 2.436 -2.199 3.247 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 -21.611 15.415 20.612 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 -17.411 -3.524 -21.298 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 8.769 6.411 11.203 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 14.968 25.074 -14.301 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 28.929 -21.334 3.404 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 3.912 -3.167 2.698 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 -3.852 -10.071 3.486 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 7.171 -4.367 -6.060 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 1.577 -1.607 -3.439 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 -0.867 -3.250 12.327 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 -14.797 -8.165 -21.235 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 -1.200 10.104 -0.456 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 -13.775 30.738 -16.312 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 6.403 -5.703 7.891 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 3.533 2.318 1.692 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 -0.426 15.431 -9.102 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 8.517 -9.994 12.460 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 0.357 4.615 -0.633 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 9.991 36.431 35.128 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 -0.454 23.056 2.500 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 -0.508 2.005 -1.921 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 -5.462 7.735 14.453 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 15.482 4.814 -19.692 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 1.254 -6.207 1.682 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 -4.769 12.408 4.106 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 1.319 -13.516 13.267 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 3.482 -0.095 -7.542 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 -11.347 1.900 -7.247 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 -2.610 0.148 -5.253 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 3.142 3.537 10.924 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 0.486 19.127 -4.229 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 -15.816 -5.650 5.418 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 0.327 2.495 0.440 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 -4.793 10.954 11.380 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 1.653 -0.574 -4.400 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 3.788 2.501 -0.083 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 18.954 -3.071 13.014 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 2.355 -20.136 -0.730 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 3.564 4.727 7.165 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 3.278 -8.839 20.396 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 -9.523 25.631 16.992 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 3.090 1.252 -2.808 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 0.020 -4.485 0.181 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 4.849 6.387 -29.780 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 5.665 -8.718 -7.029 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 -0.065 -9.784 -22.186 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 14.217 -15.231 -3.636 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 -2.367 -3.874 -0.164 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 6.605 -11.779 2.195 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 3.128 -1.067 0.122 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 -4.708 -0.927 -0.380 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 -3.721 -1.743 -5.710 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 -6.043 0.322 0.868 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 -5.638 1.732 -1.514 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 -13.587 19.821 -1.347 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 -0.919 -0.499 -19.328 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 5.246 -2.221 -0.843 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 3.982 3.030 -1.325 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 14.329 -19.136 0.649 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 -6.355 7.076 7.554 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 0.843 15.888 14.899 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 11.612 -2.742 1.387 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 -3.693 -1.122 -0.346 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 -9.153 9.942 14.208 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 -11.610 -16.246 5.152 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 -1.220 3.106 -9.867 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 8.131 5.317 -9.178 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 9.420 8.318 -11.282 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 -3.346 -3.719 -4.401 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 -10.576 -2.648 -13.586 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 -16.479 13.337 -14.762 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 -0.131 0.052 1.594 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 2.695 -6.217 21.622 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 -8.102 11.819 -3.143 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 -3.006 1.655 -5.295 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 13.411 3.948 3.052 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 5.336 0.809 2.946 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 -0.820 -1.800 -6.114 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 16.459 -7.173 0.006 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 -2.296 5.749 -29.283 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 -4.536 0.445 1.428 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 -3.998 1.175 2.159 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 -12.827 4.382 -10.387 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 -3.878 4.252 2.806 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 -14.914 -2.952 1.966 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 -0.303 20.656 4.597 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 -2.276 -6.293 -0.852 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 -5.090 -5.430 -6.002 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 -0.214 -5.720 2.339 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 3.608 4.853 -1.873 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 -2.401 6.658 -10.296 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 2.763 2.509 -0.255 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 -4.120 3.228 2.439 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 14.682 -5.672 12.610 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 -43.388 -0.009 -19.464 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 4.583 1.946 -2.167 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 0.966 6.296 8.576 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 4.761 -3.828 -3.454 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 -1.260 3.351 -3.565 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 -21.736 7.020 22.689 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 27.478 -5.626 14.247 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 4.724 2.154 0.202 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 7.974 3.377 3.169 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 4.206 5.825 1.261 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 0.910 0.746 -1.884 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 -16.995 1.101 38.489 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 -8.294 -11.049 16.046 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 1.651 0.918 0.976 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 -7.801 -8.091 5.343 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 -1.900 3.758 -10.317 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 5.476 0.838 0.552 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 -19.117 -2.686 4.286 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 -7.755 -26.778 -16.504 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 -0.556 -2.986 0.097 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 7.323 43.333 1.882 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 -13.392 3.869 -4.373 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 2.456 -4.948 1.231 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 -1.473 -11.789 0.320 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 7.549 -4.459 4.125 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 1.805 1.159 -0.059 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 32.958 -15.237 29.787 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 4.085 -2.191 -6.726 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 -4.231 3.509 1.535 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 -0.447 1.865 -11.432 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 7.047 6.988 -3.169 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 -1.606 0.763 1.588 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 14.388 -7.446 0.644 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 12.354 9.243 20.984 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 -2.375 -4.016 -3.499 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 3.694 -36.018 -2.728 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 -3.238 2.364 -13.727 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 2.983 -1.078 5.202 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 -0.779 26.271 24.091 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 2.697 7.921 21.629 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 -0.549 -1.844 0.422 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 28.143 15.238 -7.448 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 -36.784 -18.987 4.104 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 -2.002 -0.569 5.051 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 -29.061 5.683 1.847 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 6.884 16.514 25.044 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 1.936 3.604 -5.328 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 6.756 14.667 -2.716 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 -28.046 -2.194 13.120 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 -1.615 -2.216 -5.449 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 2.043 2.974 11.969 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 5.767 -8.504 5.706 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 0.418 -2.409 -3.148 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 -4.286 1.601 -4.766 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 -3.045 -4.869 -9.790 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 -0.503 -3.780 1.840 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 4.198 -5.275 18.122 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 -9.936 5.001 17.392 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 4.748 -3.619 -1.572 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 -8.894 -7.882 6.766 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 3.795 -12.719 -16.206 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 -3.513 7.578 -1.770 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 6.545 3.232 -3.078 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 13.730 -6.150 49.550 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 1.417 -5.286 6.211 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 13.589 -1.207 18.101 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 5.564 2.481 -7.238 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 -8.948 10.534 -5.086 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 3.274 -5.273 -26.082 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 4.807 -18.683 -24.574 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 -3.078 0.340 -5.933 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 -13.424 -0.524 -23.329 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 -0.499 16.272 21.013 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 2.801 0.923 -7.469 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 13.769 0.281 -9.091 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 16.929 -0.869 -6.913 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 3.806 -1.063 1.881 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 0.082 -9.838 0.601 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 8.166 1.764 -6.133 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 -3.876 0.454 2.478 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 2.572 21.071 -3.749 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 3.181 17.262 6.446 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 0.148 4.403 -2.213 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 -6.150 -16.013 -27.433 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 13.259 -14.326 7.466 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 -5.686 3.480 2.436 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 27.832 12.937 26.008 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 -14.807 6.093 0.804 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 4.013 1.784 -9.992 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 4.100 -5.170 16.947 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 -2.121 -6.521 15.663 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 1.462 2.283 -1.300 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 11.138 0.499 -3.820 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 -4.136 -18.411 7.128 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 -2.512 -0.081 7.612 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 11.108 -16.012 -10.522 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 -9.255 -26.470 20.139 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 6.323 -0.326 1.030 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 -3.225 -14.072 5.400 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 17.898 9.080 10.220 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 6.151 -5.062 3.595 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 -11.746 3.666 -24.842 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 -0.985 -21.559 24.159 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 1.578 2.298 -2.408 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 3.119 2.627 -3.491 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 6.829 2.483 -1.425 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 -7.160 -5.023 -1.137 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 11.442 -14.765 -2.507 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 1.481 -7.169 -2.285 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 -1.172 -2.600 6.095 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 6.032 25.834 7.324 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 -13.674 -5.369 -18.207 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 1.134 5.510 -8.074 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 -24.739 -3.429 -7.083 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 -4.053 -0.694 -17.098 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 4.744 -2.785 -1.597 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 -7.340 -3.064 -18.185 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 0.787 -10.844 14.570 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 -1.575 5.900 7.583 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 3.734 6.374 4.586 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 -15.158 6.163 14.671 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 -9.054 5.429 -3.714 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 6.755 11.743 -30.911 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 -11.215 -1.069 7.675 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 -2.418 -1.811 -4.414 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 -14.315 -4.963 13.332 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 -7.794 -7.530 5.572 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 8.605 -1.982 2.238 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 15.794 2.375 -15.074 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 4.322 -23.145 2.029 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 1.668 0.172 0.233 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 -10.776 22.552 8.800 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 -2.549 15.612 22.870 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 1.735 -4.102 -5.184 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 -13.107 -12.786 -19.862 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 13.547 13.085 5.389 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 -1.189 -6.702 2.502 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 -5.909 -12.633 15.222 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 -20.697 7.966 -10.863 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 2.380 0.433 -1.725 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 -1.749 -8.743 -0.261 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 -17.921 4.875 7.282 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 -4.132 -3.796 3.112 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 -5.218 -11.697 19.657 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 -19.486 15.379 -30.559 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 -3.932 1.096 5.448 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 16.554 -9.901 8.957 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 4.314 -3.465 13.025 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 0.480 0.966 -4.982 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 -4.284 -12.309 1.699 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 4.787 -6.648 16.712 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 -5.248 -1.931 10.184 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 -15.832 -4.117 16.611 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 3.499 -8.243 4.864 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 0.184 -1.651 4.307 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 5.559 -3.070 0.836 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 1.985 -5.250 8.638 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 1.239 1.726 -4.638 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 -30.811 26.984 -14.433 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 -11.994 -14.009 20.191 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 4.976 5.877 -0.939 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 5.491 1.351 -17.246 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 19.246 4.069 7.152 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 2.641 -4.437 0.541 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 -1.297 13.074 -19.882 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 -18.431 -20.424 -1.980 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 -2.113 -7.102 -1.231 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 23.014 11.344 5.298 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 -3.000 6.819 -22.348 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 1.272 0.327 1.216 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 26.057 -20.454 -3.734 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 -24.158 -2.416 -21.042 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 1.372 -3.524 1.174 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 -15.940 -4.262 11.914 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 -2.031 5.918 -10.598 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 0.211 -3.087 -0.716 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 25.593 -7.123 -12.112 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 3.969 -27.839 -12.931 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 -6.041 -4.824 4.504 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 0.772 2.049 9.653 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 -17.830 -10.076 13.549 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 -6.425 -1.460 -0.122 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 -1.177 14.251 5.232 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 -23.209 -2.992 -5.852 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 5.453 0.983 -1.605 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 -8.707 10.620 10.752 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 -21.895 -6.543 -6.219 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 3.123 -0.318 -0.494 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 6.118 -4.000 -11.876 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 -1.250 -10.359 0.214 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 -7.088 3.805 5.996 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 0.073 7.861 1.288 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 -10.971 1.851 8.775 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 0.214 0.200 1.027 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 12.845 -11.846 9.754 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 4.445 -5.768 1.263 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 -5.247 6.171 0.432 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 -14.904 25.336 9.338 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 10.434 6.692 4.621 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 -3.947 2.511 8.699 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 -24.516 -2.274 10.344 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 14.169 -2.523 -7.779 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 4.010 -3.298 -6.052 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 10.324 -23.655 -13.408 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 -11.040 -5.460 9.546 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 5.856 -1.035 -17.038 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 18.956 21.226 15.473 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 5.620 -1.342 -18.499 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 -1.877 -2.318 1.234 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 5.287 -17.409 11.517 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 6.060 32.648 -4.277 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 0.275 6.804 -1.565 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 10.276 8.394 1.210 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 -1.194 1.495 -17.050 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 2.547 0.946 -5.565 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 -6.493 6.938 -25.951 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 2.305 -8.083 1.203 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 -4.559 0.186 -1.622 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 -14.927 -1.712 -0.183 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 10.509 -9.787 0.107 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 2.776 -7.441 1.826 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 3.130 -6.151 -4.088 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 5.387 -8.684 3.354 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 4.318 0.307 -6.063 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 -4.238 10.151 -9.492 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 -11.979 -2.372 -11.985 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 5.368 -4.203 -3.090 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 -6.476 19.905 -17.983 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 -3.672 -3.670 -0.255 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 7.892 1.857 0.830 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 -1.725 -4.512 -18.966 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 4.023 -4.169 -0.203 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 -0.287 2.728 9.360 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 -16.337 0.271 5.570 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 27.692 -4.214 3.969 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 -7.466 -6.599 -5.720 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 -1.966 -6.518 -4.099 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 -9.024 -6.167 -5.290 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 1.738 -8.456 0.159 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 -11.370 -17.876 -5.063 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 -9.830 -2.316 -9.468 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 -2.520 4.891 -5.901 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 6.509 -10.447 -19.600 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 17.110 17.676 1.972 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 -5.069 9.289 9.445 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 -5.869 24.142 -2.080 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 -10.395 4.252 -1.409 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 -3.862 4.793 1.721 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 -2.559 -12.462 13.114 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 -10.560 -2.161 -21.406 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 -2.732 -4.817 -1.735 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 0.738 8.768 -18.172 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 -3.773 -0.811 -29.861 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 -0.296 7.002 -1.691 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 -0.462 22.914 30.506 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 14.667 -18.303 -17.949 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 -0.404 2.079 0.326 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 1.623 -6.330 12.072 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 -9.494 15.701 13.191 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 1.601 4.543 -3.458 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 5.231 2.362 1.630 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 4.575 -3.942 8.818 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 -2.343 1.999 0.420 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 26.103 -4.871 28.422 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 -3.595 26.146 -9.245 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 2.223 2.983 2.699 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 4.755 -17.073 21.683 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 -7.724 -5.343 13.433 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 -4.850 -3.287 3.002 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 -19.101 -10.736 1.040 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 -27.998 -12.260 -4.485 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 -1.214 -0.875 -3.042 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 14.937 8.377 -15.151 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 -18.755 -9.510 11.559 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 2.072 0.949 3.858 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 -8.682 -0.819 4.025 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 45.041 6.867 1.615 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 7.393 -1.417 -6.598 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 -9.264 27.082 20.996 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 20.433 -34.018 -0.121 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 0.320 1.718 0.085 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 -1.232 0.630 -8.339 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 -1.838 7.174 0.035 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 -0.757 1.204 -4.141 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 13.573 -7.956 -3.688 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 15.762 -9.201 4.729 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 2.971 -1.884 1.271 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 -11.691 -10.128 0.281 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 -7.876 -16.183 -5.323 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 0.300 -0.585 -6.162 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 6.212 13.979 2.992 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 -18.910 11.848 0.086 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 -2.308 0.097 -1.135 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 -7.489 6.142 -14.368 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 0.606 -7.671 -8.086 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 -0.178 6.623 -2.785 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 3.129 14.229 -6.743 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 9.238 -13.318 -6.532 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 1.169 -1.729 6.140 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 -14.025 -12.258 -7.020 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 -13.344 7.098 -1.504 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 -3.076 0.392 5.893 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 -23.997 -30.385 -0.503 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 13.600 4.954 -13.934 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 -2.733 -1.604 -3.246 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 -6.055 5.485 -17.371 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 -21.737 13.975 -13.134 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 -1.300 -0.812 -0.304 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 25.070 -6.344 15.106 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 -7.261 -0.836 -5.195 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 -1.402 -5.647 2.158 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 -1.110 -5.594 0.042 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 -4.129 -3.335 2.106 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 4.850 1.901 -2.582 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 6.637 3.622 8.766 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 0.281 17.743 14.154 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 5.960 3.833 -3.153 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 -3.427 -9.768 -7.920 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 17.574 1.193 24.012 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 -4.821 -1.820 -4.845 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 -14.589 -10.461 -9.461 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 -12.721 -2.063 3.582 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 1.320 5.702 -1.979 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 0.555 -11.396 7.817 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 10.069 -15.157 -24.278 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 2.744 2.788 -4.867 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 24.031 -28.259 1.137 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 1.929 -1.131 -0.474 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 4.276 4.984 -2.606 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 11.177 3.211 -7.268 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 -4.421 -2.228 8.465 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 2.798 4.340 -4.339 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 18.812 -4.702 -23.134 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 -3.843 2.025 2.755 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 6.751 1.422 3.365 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 24.004 2.536 -9.185 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 -1.589 -16.474 -0.865 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 5.000 -0.914 5.395 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 -6.592 -16.070 2.838 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 0.515 -8.997 1.527 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 -0.302 -1.358 -1.636 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 24.366 -2.097 9.550 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 -7.297 15.057 -13.587 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 -0.131 0.452 6.499 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 -1.105 2.275 12.925 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 -8.464 -9.769 -8.321 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 -3.087 -1.318 3.071 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 16.443 -2.037 23.417 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 12.285 -4.817 7.306 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 7.006 -2.936 -4.423 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 -11.928 -0.035 0.973 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 -14.188 -15.493 -6.520 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 -1.172 2.826 8.073 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 -23.224 6.121 -6.508 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 -4.903 13.178 7.025 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 4.205 -1.789 -2.933 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 -17.871 6.455 20.809 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 -11.220 -0.246 12.723 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 7.521 0.894 1.852 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 6.969 -15.084 -17.202 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 24.897 -7.676 15.938 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 -1.957 -1.234 2.704 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 9.735 6.580 -1.602 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 19.123 19.975 -8.050 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 0.675 -4.306 7.526 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 -7.792 10.358 8.243 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 -5.449 -21.277 -2.151 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 1.959 4.567 0.827 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 4.468 0.009 -0.180 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 7.417 9.014 -1.381 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 -0.507 -6.226 -3.730 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 -16.105 -9.310 12.013 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 18.289 3.297 -21.557 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 4.362 -0.307 -1.184 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 1.718 -14.858 -18.615 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 -0.957 -3.542 -13.042 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 -5.342 -0.138 -0.671 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 -7.751 -10.173 -14.184 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 -3.568 -12.306 -9.013 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 -3.331 3.570 4.955 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 -29.208 13.948 23.179 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 -0.904 -34.898 21.075 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 5.657 -2.905 -1.636 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 -6.081 -15.804 -4.459 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 9.189 -11.864 27.309 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 0.888 -3.012 2.017 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 0.294 20.793 4.739 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 22.247 -5.582 -2.154 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 2.747 -5.048 3.374 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 -2.778 -1.046 6.041 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 0.930 -10.643 -9.081 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 -0.995 2.593 -3.926 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 3.650 11.266 7.061 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 -5.773 -4.609 -13.726 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 -5.144 4.310 -6.611 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 3.864 -6.669 2.669 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 2.436 18.681 -10.708 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 -0.659 2.402 5.563 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 11.433 -1.203 17.260 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 1.729 -15.136 -0.033 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 -3.508 -8.420 -2.004 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 -4.635 -2.395 4.843 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 -4.747 2.287 2.812 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 -1.897 5.844 1.141 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 0.117 2.654 -3.989 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 -3.254 -3.617 22.741 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 1.457 -0.750 2.126 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 -1.073 1.213 3.424 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 -0.980 0.977 3.626 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 3.400 -8.110 -0.143 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 5.815 -6.740 -3.439 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 0.446 -8.584 0.432 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 1.463 2.481 2.084 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 -16.035 3.811 8.947 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 -2.639 -3.729 8.156 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 7.526 -1.302 9.309 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 1.889 -15.867 -3.630 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 7.270 6.402 12.902 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 1.679 6.386 -1.152 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 2.782 10.552 -4.889 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 3.268 7.888 -2.600 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 -1.222 6.111 3.641 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 2.693 -8.993 -2.055 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 1.474 -9.404 0.923 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 8.325 -5.722 3.946 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 7.773 30.427 10.969 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 -8.353 -8.403 -25.911 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 -4.293 7.016 -0.799 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 -3.722 0.485 -4.556 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 -1.615 11.178 4.491 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 -3.348 0.193 -4.992 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 -11.456 -18.796 -22.592 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 -13.859 7.445 -8.204 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 -4.317 0.146 11.862 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 -25.066 -4.182 -8.390 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 8.004 8.234 0.821 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 -1.497 -3.668 -0.435 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 4.980 12.209 -2.393 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 -2.229 2.356 -4.449 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 -3.070 0.830 -0.694 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 3.446 22.796 24.588 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 29.422 -9.052 -8.893 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 -1.211 1.596 -2.214 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 8.874 13.492 2.952 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 30.733 2.913 22.046 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 -10.008 -2.886 6.756 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 -7.094 20.158 4.159 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 -22.267 12.430 -1.087 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 -0.572 5.109 -5.935 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 16.493 9.588 -11.438 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 -10.276 25.775 -10.083 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 -1.021 1.349 -2.028 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 0.230 6.666 6.820 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 -0.684 -1.025 -2.291 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 1.145 -0.842 1.385 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 -2.808 -1.077 5.158 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 -1.502 -0.896 0.317 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 -3.805 2.272 5.921 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 7.618 -11.595 -3.653 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 -14.075 -8.077 15.505 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 -1.503 -2.656 5.459 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 -0.194 -4.547 7.208 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 4.695 -0.050 7.351 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 4.723 -3.159 -1.245 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 1.765 29.074 -11.592 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 13.821 -23.770 -21.691 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 0.693 -2.434 2.158 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 -16.048 18.223 -28.092 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 6.019 -6.009 1.652 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 3.427 4.585 0.662 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 12.846 -12.941 14.864 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 4.125 16.972 -12.427 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 -3.925 0.036 1.974 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 5.667 5.224 -4.824 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 1.882 3.252 -2.220 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 5.540 1.690 -1.657 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 24.437 12.099 -5.741 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 -6.968 -5.324 0.657 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 -1.053 3.965 6.329 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 -18.884 8.617 5.868 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 9.606 20.387 7.788 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 3.741 0.989 2.373 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 12.769 4.240 -0.907 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 11.767 -7.632 -5.315 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 1.808 -2.248 -0.500 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 16.086 -11.503 -4.657 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 -3.636 13.251 1.396 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 -3.161 -2.452 -4.076 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 6.264 18.286 -28.040 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 -10.005 -15.816 11.944 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 1.859 0.657 7.714 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 -7.180 -0.612 19.922 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 -0.875 0.828 -5.112 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 5.914 4.308 5.668 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 8.200 8.242 11.960 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 -5.609 -6.827 -18.182 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 -4.585 -8.080 -5.640 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 0.769 -20.471 6.715 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 -2.618 -0.244 -28.737 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 -3.611 -1.853 -6.925 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 -5.289 -1.464 -1.844 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 -6.665 -1.721 -3.814 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 1.614 -1.310 -2.788 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 -1.595 -22.204 8.942 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 3.918 14.544 -10.256 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 -4.608 1.908 -2.285 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 20.519 -6.371 -1.471 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 11.244 2.624 -0.315 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 -5.148 0.526 1.946 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 4.634 13.767 -1.382 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 2.984 9.546 -10.963 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 1.823 5.843 -6.534 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 7.231 1.454 -10.570 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 -2.242 15.145 -10.418 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 1.485 -1.497 1.828 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 9.143 -15.145 11.506 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 -1.537 2.314 0.263 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 3.824 2.970 4.712 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 9.128 -10.725 -0.543 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 12.737 -18.300 -5.249 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 5.148 -5.573 -3.534 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 -16.104 -5.113 -30.152 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 -19.728 -2.950 -18.151 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 3.350 0.291 2.668 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 5.619 -3.850 15.687 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 19.857 5.040 -1.944 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 1.233 8.772 3.530 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 -0.128 19.338 -2.847 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 8.739 22.849 1.230 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 3.434 0.418 0.327 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 11.239 7.804 7.620 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 -19.218 -5.713 1.203 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 -3.370 -8.693 4.043 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 -7.955 -15.067 27.404 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 1.553 -20.122 6.701 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 3.926 -2.957 3.321 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 16.145 -11.918 -0.049 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 1.062 8.027 -9.473 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 -2.452 -3.189 -5.068 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 5.409 12.149 -12.321 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 4.751 -18.270 10.874 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 -3.755 -1.238 3.265 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 1.051 -3.968 -3.392 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 -8.371 1.485 8.367 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 2.156 -2.925 0.401 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 -16.113 -5.567 4.550 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 4.880 -19.662 23.995 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 -6.501 4.451 5.062 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 -18.723 2.051 7.447 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 7.402 10.213 -1.289 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 -4.884 4.827 0.382 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 -8.814 -3.699 -4.313 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 -20.827 8.581 -7.938 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 -1.054 1.300 -0.095 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 -22.802 15.449 -17.806 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 6.416 -2.901 17.788 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 5.529 -2.760 -0.854 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 -6.392 -4.106 -8.997 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 6.176 -8.639 -4.216 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 1.350 -5.288 -1.329 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 -2.497 -10.732 19.007 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 14.968 0.780 -17.334 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 3.455 4.396 0.488 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 -8.362 -12.709 13.666 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 -8.646 -17.827 -9.156 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 6.412 -4.448 5.045 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 -6.772 -9.315 -3.338 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 8.953 -9.683 -2.245 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 3.866 0.971 3.170 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 -20.512 -8.174 4.517 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 10.709 -3.312 25.467 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 -6.069 -2.503 6.221 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 -16.124 7.607 -6.455 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 -15.449 -17.629 -23.493 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 0.533 4.867 3.839 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 19.013 -25.636 -16.356 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 -8.431 3.164 -3.704 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 2.300 0.856 0.098 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 -2.265 25.742 4.971 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 10.142 -19.403 12.513 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 1.911 -6.462 0.178 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 -5.230 6.623 17.001 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 -5.989 -2.383 7.406 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 3.822 -1.717 1.756 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 31.390 -8.345 -11.039 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 5.040 -0.779 2.317 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 -7.595 -2.715 -3.117 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 -3.134 8.368 4.862 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 -16.926 -31.736 -14.345 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 0.595 -3.814 1.611 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 -28.994 -0.727 -8.693 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 1.001 -30.730 17.877 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 -5.077 -2.192 -7.322 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 -14.461 -6.615 37.418 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 -4.916 0.150 -6.105 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 2.392 -0.682 -8.963 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 13.112 6.339 -15.466 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 0.683 1.224 -15.972 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 -0.930 0.720 -4.575 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 -17.574 0.133 6.067 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 27.421 21.458 11.924 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 -9.455 1.941 -9.612 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 -5.100 14.742 8.115 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 -6.742 0.542 -7.043 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 5.783 0.919 0.289 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 20.526 9.147 -3.208 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 -4.451 1.188 33.455 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 -1.948 3.217 7.845 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 3.360 17.098 10.984 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 -6.296 -5.915 4.691 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 6.996 -2.831 6.261 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 22.213 -3.672 -2.124 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 -19.215 -6.869 -5.579 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 -0.427 -2.259 1.381 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 -1.789 1.016 -0.440 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 -0.494 -1.070 10.341 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 -3.008 -2.960 2.134 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 -8.759 0.927 7.281 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 -20.333 9.165 -2.419 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 0.653 -3.826 0.843 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 12.098 -14.406 18.984 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 -5.471 -22.666 -11.491 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 -8.619 5.303 2.333 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 6.084 -11.199 12.077 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 -13.252 -14.900 36.476 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 7.258 5.296 1.346 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 11.488 -17.891 12.350 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 17.885 -11.541 -11.410 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 3.842 -3.012 0.182 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 -5.976 3.796 7.146 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 13.582 3.180 -6.472 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 -6.993 4.154 0.459 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 3.833 2.726 -3.043 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 -14.683 -9.498 -8.031 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 -1.137 6.769 3.025 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 -10.961 -16.814 10.831 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 28.443 1.723 -9.144 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 2.760 0.146 5.809 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 5.100 1.193 -1.438 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 3.614 3.266 -6.090 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 0.378 5.097 8.556 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 -36.643 -0.716 19.419 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 28.611 4.240 -6.202 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 0.001 1.764 -4.756 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 -9.962 2.176 17.139 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 -1.349 -16.173 22.994 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 8.076 -11.749 -1.124 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 -21.033 14.384 29.347 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 11.182 -11.534 -9.251 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 0.990 7.496 3.168 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 2.281 -12.148 11.158 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 8.225 5.773 0.455 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 -0.238 -10.890 -3.301 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 4.035 -10.168 -13.556 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 6.766 -2.095 -3.919 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 -1.121 -6.051 -2.924 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 1.915 -2.657 -9.141 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 -3.148 -11.288 -5.071 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 1.923 5.018 2.982 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 11.712 4.236 3.771 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 -10.940 5.104 1.401 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 0.074 -0.405 -1.334 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 -10.410 10.537 5.493 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 5.561 -5.489 2.090 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 -1.806 0.984 -2.576 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 9.435 -13.482 -4.614 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 -3.283 -2.985 2.874 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 2.090 -0.315 -0.407 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 7.612 -8.296 0.175 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 8.717 5.161 10.748 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 -2.794 10.014 -0.771 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 -15.280 14.046 -3.046 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 9.999 0.413 -2.791 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 -4.703 -7.475 6.244 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 2.970 22.620 -11.229 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 8.816 14.723 -11.335 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 0.553 4.718 -1.811 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 -6.822 16.241 -8.598 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 7.445 12.492 -2.426 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 6.892 0.490 0.982 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 -16.696 9.965 5.219 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 14.596 -6.673 -5.342 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 1.531 -3.977 -10.994 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 -0.975 0.544 -15.368 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 6.863 -7.615 -12.762 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 5.637 0.299 -3.269 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 12.464 8.121 11.074 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 8.494 -15.410 -0.741 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 1.600 4.902 1.838 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 -5.448 7.203 -13.617 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 -5.696 -5.392 -6.155 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 5.163 2.766 7.545 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 -9.766 2.446 15.136 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 16.958 -9.512 -5.574 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 0.627 -0.721 2.600 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 10.159 7.156 -12.328 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 -6.714 -5.718 12.258 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 4.093 2.507 -3.431 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 1.440 13.485 -11.359 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 4.414 -11.194 4.417 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 1.070 6.126 2.794 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 20.679 2.136 -6.143 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 17.008 -13.856 10.265 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 5.715 -0.697 5.114 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 13.039 -16.755 -5.838 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 -11.332 12.893 12.224 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 2.267 -1.138 -0.865 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 -4.179 -7.564 -9.699 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 37.146 14.890 0.864 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 2.333 -8.806 -2.144 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 3.968 -7.399 13.008 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 0.543 -13.316 -0.366 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 1.558 0.722 6.303 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 -22.886 -30.775 11.445 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 -10.246 24.038 25.503 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 -0.639 -2.722 -4.805 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 3.837 4.100 -9.001 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 1.789 1.116 -11.114 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 -3.756 -0.763 -0.936 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 14.505 28.109 -11.619 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 27.309 15.545 20.975 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 5.871 -4.316 -5.701 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 -7.173 14.226 -9.497 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 9.978 -8.870 -2.353 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 0.049 -4.723 -0.349 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 -5.410 0.560 10.349 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 -5.470 5.630 -4.094 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 -0.067 -1.288 0.092 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 -7.789 8.388 20.943 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 -2.979 -0.354 12.704 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 -3.573 -1.656 -4.683 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 -0.772 7.174 -8.246 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 8.917 3.698 -4.432 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 2.808 3.766 -2.115 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 5.737 -5.303 -1.104 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 -14.616 9.028 22.672 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 -0.021 -6.295 1.826 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 -5.684 -6.808 16.362 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 0.833 3.351 -0.113 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 -1.031 2.590 -3.726 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 -2.829 -14.368 -15.519 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 6.022 -3.773 -3.766 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 -1.645 -4.121 -6.076 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 1.210 7.364 12.934 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 -13.599 8.532 -13.171 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 -0.776 -2.701 2.412 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 1.810 -17.482 4.570 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 -1.904 4.596 -4.281 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 -4.504 1.546 2.146 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 -4.462 1.488 3.799 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 -5.694 -0.286 16.974 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 -1.624 -0.886 4.406 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 18.495 19.456 -10.368 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 25.108 25.104 -15.556 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 3.522 6.542 -2.090 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 -5.450 -1.828 3.827 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 9.156 14.717 -10.686 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 0.306 -2.609 4.640 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 14.993 -2.215 -9.276 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 -16.715 -12.784 -5.983 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 -5.372 -3.957 4.281 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 -0.116 -2.768 8.858 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 -12.988 3.723 6.705 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 2.250 -7.539 1.736 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 12.503 6.356 -2.973 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 -7.223 -12.708 5.655 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 2.771 6.189 6.336 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 11.202 8.704 -6.127 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 19.039 11.169 -19.530 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 8.579 0.579 -1.233 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 -20.255 -27.025 30.686 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 -4.049 -5.096 -25.534 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 2.164 1.071 4.567 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 -4.291 5.904 -12.947 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 -0.352 4.113 2.563 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 -3.116 5.578 -1.551 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 -13.371 17.348 9.000 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 -12.857 -11.977 -5.317 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 -3.729 -2.878 0.737 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 -5.317 2.194 6.201 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 -13.848 -9.794 -3.535 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 3.729 4.950 -8.381 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 5.588 -13.369 -10.478 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 -10.854 5.836 3.562 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 0.471 2.716 0.116 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 -4.313 0.798 8.346 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 23.519 3.791 -15.987 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 2.379 3.781 -1.477 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 -1.403 -17.186 1.868 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 2.951 10.365 22.056 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 8.102 -1.077 1.456 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 -2.866 -14.265 -6.995 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 -4.582 6.580 -1.307 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 -6.356 6.453 -6.227 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 12.047 4.911 8.786 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 5.389 1.114 -2.843 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 7.909 8.161 -2.230 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 19.793 7.534 -17.700 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 -27.828 20.691 4.167 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 0.268 -2.200 -0.387 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 6.750 -17.810 -12.731 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 8.493 4.456 -11.689 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 -5.401 -0.958 -3.121 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 17.075 1.482 -36.308 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 -14.291 20.324 -16.691 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 1.381 3.644 4.199 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 10.601 5.677 1.460 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 -5.700 17.020 -14.786 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 0.825 3.976 2.166 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 0.876 0.812 -2.090 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 4.655 7.186 1.410 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 5.497 -0.186 6.624 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 12.606 4.515 13.428 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 3.704 4.502 -1.184 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 7.866 5.107 -0.111 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 -2.028 30.433 3.934 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 21.837 -1.906 4.021 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 8.565 -2.627 3.010 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 2.267 1.534 -17.780 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 17.844 -7.472 16.844 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 -4.100 3.442 -0.079 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 0.882 -3.219 9.139 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 -25.790 26.388 -35.785 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 -1.197 -6.027 -0.086 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 4.549 -5.818 20.216 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 14.608 -26.919 22.555 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 4.500 -2.911 5.371 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 18.149 -11.876 1.574 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 -20.308 2.487 3.811 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 -1.864 0.635 3.115 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 9.395 -12.483 33.058 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 -8.262 -2.962 -10.054 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 -1.602 -1.383 -0.868 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 -14.972 2.379 -11.524 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 -2.647 4.866 10.087 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 8.893 5.355 -5.159 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 10.091 5.493 -15.515 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 7.704 -8.834 -13.567 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 4.860 1.760 2.547 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 7.965 -2.080 -3.884 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 -8.404 -13.248 23.250 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 4.558 5.814 -0.534 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 11.564 -13.453 19.442 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 34.087 -19.817 -8.283 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 6.262 -1.413 6.581 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 -12.739 1.646 21.981 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 5.419 -22.856 2.194 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 0.113 -7.122 -2.057 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 2.728 -10.406 -4.995 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 -5.436 -12.221 -9.080 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 2.348 -8.031 -8.573 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 -20.937 -6.462 -8.805 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 18.042 -9.759 -8.627 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 -1.133 7.211 1.222 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 19.771 23.554 20.195 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 -28.569 -4.728 -12.041 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 0.547 3.137 -1.310 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 -9.846 5.724 21.529 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 -25.869 14.822 8.407 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 -3.697 1.798 1.092 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 -1.493 0.080 -0.192 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 -3.789 3.844 1.147 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 -5.915 6.751 -0.046 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 1.513 3.752 -1.865 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 -21.238 17.302 4.291 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 -6.038 -0.310 -4.716 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 10.694 -9.144 -10.544 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 -23.216 5.736 1.921 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 6.874 -3.045 5.091 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 -5.412 -11.355 -0.705 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 25.537 -6.484 26.658 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 -7.718 -2.845 -2.308 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 -18.104 -3.552 -5.304 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 -11.845 9.263 -11.350 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 -1.050 3.082 2.898 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 -2.028 -1.542 2.091 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 1.476 5.324 -0.600 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 0.102 3.323 -2.393 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 -4.421 -9.899 -8.243 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 -7.722 5.245 -1.179 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 4.756 -7.941 -3.624 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 22.437 -20.509 -5.657 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 0.787 3.574 14.770 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 -0.687 3.943 -1.487 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 22.070 14.611 -12.091 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 0.128 17.992 22.960 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 -3.932 0.156 -7.484 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 1.475 -23.413 -11.146 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 -12.473 35.377 -1.925 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 -9.107 -4.177 -4.041 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 -12.247 -0.550 -2.177 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 -7.756 5.512 -7.327 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 -6.111 -2.888 -5.997 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 -14.519 -6.711 -5.122 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 -5.753 4.529 -6.641 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 6.696 1.537 -2.494 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 -3.056 3.262 3.216 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 -18.716 4.981 -20.516 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 3.804 0.341 -2.790 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 9.549 12.521 -13.296 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 3.933 -13.209 -11.211 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 -5.999 -6.190 -2.793 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 -7.610 1.275 -5.853 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 3.092 23.737 -7.339 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 -0.447 -2.953 -3.708 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 25.149 -3.446 -17.809 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 6.002 0.361 -0.059 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 -5.024 0.069 -3.163 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 -9.614 8.902 -20.427 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 -6.431 -15.883 6.877 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 0.414 -1.959 -2.915 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 3.312 17.914 7.652 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 19.270 -14.484 -0.275 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 -5.717 3.561 -7.358 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 -19.466 11.084 -14.987 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 0.139 -4.397 -3.448 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 -1.522 -3.007 -1.563 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 2.160 1.029 -2.032 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 0.033 -3.795 -2.918 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 -4.429 3.742 -1.965 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 -14.223 5.565 5.157 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 -7.461 1.598 9.058 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 7.907 5.725 4.252 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 10.243 -1.228 4.408 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 18.048 -11.506 8.596 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 -3.956 -0.661 -7.210 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 -1.259 -12.543 1.219 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 -11.769 6.694 -13.000 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 -6.887 -2.142 2.530 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 -7.870 -6.335 2.073 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 -3.679 -9.280 -3.134 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 3.750 4.462 0.381 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 -8.602 -15.601 -14.478 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 -5.755 -5.408 9.627 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 -0.495 -4.069 3.473 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 -21.677 15.047 6.679 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 -19.250 4.937 8.147 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 2.431 -8.445 0.800 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 23.258 -10.903 13.067 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 -8.593 -29.639 4.212 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 0.244 2.136 -0.681 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 -6.564 4.026 -8.637 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 4.947 1.164 3.038 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 3.594 2.039 -3.713 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 2.876 -2.043 -0.436 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 5.159 -4.541 -3.779 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 0.007 -1.440 -6.010 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 -9.414 -12.965 -2.467 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 0.498 2.003 14.625 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 1.890 -6.063 -1.823 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 -25.546 0.475 -1.571 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 24.925 -11.251 -0.761 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 5.624 4.190 3.501 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 -2.101 5.223 3.729 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 21.244 -5.890 10.728 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 -0.056 0.673 0.001 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 -5.246 -14.548 -4.194 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 -4.403 -5.556 0.266 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 -0.918 4.476 -2.948 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 -23.768 4.559 -0.519 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 -18.296 24.161 1.561 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 -0.055 1.622 0.906 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 3.311 11.424 5.954 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 15.036 12.829 15.527 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 -2.533 -1.260 2.488 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 -16.952 3.852 2.501 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 3.632 0.899 -10.542 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 -0.855 -1.534 -3.763 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 -28.709 14.308 -1.193 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 -2.209 9.797 1.457 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 3.068 -1.932 6.530 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 -14.358 -12.040 21.495 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 27.197 11.770 -10.528 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 1.309 -3.543 -1.221 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 1.201 -5.619 -6.872 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 3.442 0.681 0.302 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 4.334 -7.474 -0.966 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 2.635 -10.289 -1.159 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 34.706 -21.828 -15.254 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 2.101 1.901 0.838 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 9.211 5.472 12.535 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 5.414 3.184 -4.808 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 -0.447 0.475 6.010 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 -8.683 16.752 -8.739 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 -2.849 4.047 -0.260 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 -1.218 -0.025 -5.792 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 18.363 -8.537 -17.385 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 9.747 -4.487 -11.386 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 -3.648 0.885 0.544 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 17.503 -2.885 -5.820 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 -2.517 -3.961 1.922 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 -2.645 2.068 0.773 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 21.679 8.908 3.187 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 -23.717 -2.571 -3.171 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 7.611 2.142 -0.399 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 -16.071 22.500 8.238 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 9.404 -0.597 -1.681 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 -3.386 -4.719 2.714 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 12.035 1.394 -16.363 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 18.289 4.612 -25.887 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 5.708 4.196 -1.002 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 -0.974 0.784 -21.275 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 -15.514 -13.992 -6.341 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 4.102 2.934 -11.838 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 8.722 -2.129 -11.657 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 -7.091 -0.429 -4.337 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 1.737 4.182 -0.445 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 -23.355 20.214 0.735 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 -0.812 0.711 -3.245 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 0.148 -2.869 5.366 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 6.477 17.068 -20.181 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 16.193 -4.400 14.884 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 -8.163 -2.987 -10.760 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 -6.542 0.570 13.622 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 -8.999 29.378 -3.881 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 -2.158 0.546 -5.020 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 8.251 -11.336 -0.654 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 -2.739 7.041 0.424 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 4.489 -2.759 -2.220 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 8.219 1.859 7.818 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 1.946 -4.800 -8.233 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 3.517 1.756 4.163 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 -2.524 -2.237 13.358 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 -4.549 1.884 -3.756 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 3.840 2.818 7.978 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 -1.628 6.172 21.882 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 19.071 11.791 -6.991 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 -0.837 -8.152 -7.128 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 -1.254 13.201 -1.461 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 -9.562 0.474 22.298 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 -2.490 2.690 0.976 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 -2.444 1.968 6.087 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 -1.501 6.077 -1.368 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 -0.114 5.924 2.391 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 -6.944 10.095 6.026 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 -27.556 2.179 -2.379 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 -7.181 3.664 -4.566 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 -17.428 9.789 8.878 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 -23.060 -3.649 -15.307 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 1.874 -5.682 4.809 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 -13.971 -14.383 -10.639 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 8.412 1.459 -7.679 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 4.128 -4.371 8.487 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 6.487 -6.264 17.373 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 35.317 4.386 13.323 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 -1.561 0.983 2.061 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 -8.259 15.414 5.686 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 -0.478 4.467 1.489 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 -1.997 -4.767 4.817 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 -21.341 -12.839 -9.059 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 7.408 14.350 29.170 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 1.055 4.117 7.915 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 -22.105 2.951 26.800 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 -22.606 32.917 15.109 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 3.921 -3.818 -3.890 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 -5.077 -1.659 -0.686 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 24.871 -3.036 -17.352 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 3.926 -0.180 2.508 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 -4.556 11.378 -2.995 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 4.368 -6.495 -14.012 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 3.558 1.495 2.149 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 10.250 7.224 7.994 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 -1.055 -7.222 6.113 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 -3.366 -7.890 -1.550 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 9.692 0.276 -0.736 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 -0.013 0.320 1.321 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 -1.084 -0.968 7.381 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 9.923 0.643 -14.982 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 -6.834 -3.160 18.138 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 0.831 3.550 -1.981 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 26.966 4.398 7.488 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 4.602 1.434 0.929 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 -4.784 2.051 -3.834 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 -0.125 3.671 -0.937 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 -7.031 5.353 3.632 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 1.627 0.253 -5.150 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 13.319 -0.948 5.806 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 -5.320 -3.213 -4.996 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 -1.433 2.511 -1.429 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 -11.756 -15.669 1.648 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 17.405 -8.944 -34.401 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 6.636 -4.715 -4.957 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 1.229 1.335 3.746 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 -0.746 -11.587 -9.205 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 6.191 -10.326 5.872 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 -10.317 -12.347 -1.542 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 7.643 -34.077 -6.456 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 -3.282 -2.205 -5.383 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 -0.733 -3.932 -6.086 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 -7.368 0.679 -4.489 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 1.111 -5.024 -3.530 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 -16.444 -12.099 -5.268 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 8.697 -1.085 -1.546 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 1.665 2.513 8.069 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 -14.030 8.651 4.804 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 -12.984 5.092 0.407 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 7.420 7.200 -5.451 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 12.009 -0.803 -16.151 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 11.049 16.358 8.654 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 -3.441 4.110 1.158 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 7.140 6.068 -1.698 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 -6.757 4.476 5.232 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 2.193 -5.693 -5.988 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 -21.084 13.306 2.125 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 0.343 -5.923 7.395 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 5.029 4.260 0.211 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 3.138 -23.253 -13.342 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 -0.360 -4.469 16.486 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 3.258 1.108 0.438 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 -1.385 5.739 2.650 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 0.245 6.138 -2.583 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 3.944 -3.544 -2.729 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 -21.616 -14.759 -8.866 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 1.903 0.748 -8.541 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 -0.815 3.471 -4.671 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 11.816 -17.720 -16.663 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 4.679 -15.750 -5.166 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 5.578 2.861 2.768 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 3.801 -20.505 -15.359 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 5.312 13.282 13.558 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 1.850 -0.253 3.859 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 -17.814 -0.361 8.301 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 36.516 -3.288 -2.483 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 -4.252 2.969 3.177 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 -7.101 8.031 5.503 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 -8.705 -8.290 10.627 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 3.329 -0.095 6.902 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 14.852 7.335 -4.420 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 12.468 -12.945 11.153 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 8.023 -1.871 -9.399 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 6.205 7.470 -13.993 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 4.040 2.421 7.985 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 6.459 -4.333 -1.918 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 6.447 -7.796 11.235 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 8.998 9.132 -0.997 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 0.186 -0.843 3.291 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 1.245 18.170 21.458 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 -18.901 1.840 5.548 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 -6.259 -4.486 -0.165 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 -10.639 -4.305 1.310 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 2.320 0.728 0.340 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 -3.551 -3.205 14.687 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 -15.293 -5.835 4.501 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 -4.513 -1.051 12.585 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 1.875 1.233 6.444 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 -12.474 8.396 -18.865 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 18.875 -1.659 18.508 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 -3.128 3.345 2.321 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 -18.573 -6.170 2.540 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 -15.985 -15.765 6.722 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 0.316 3.735 -2.207 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 6.404 11.733 -9.369 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 10.365 39.967 -28.870 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 0.083 0.486 -0.536 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 -3.255 14.056 -6.605 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 3.283 3.294 7.913 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 -0.209 -2.471 -1.691 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 6.682 -0.422 13.733 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 -15.510 -21.301 10.039 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 -0.889 5.688 9.005 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 3.155 19.260 -7.130 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 -13.083 -9.638 -0.506 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 4.351 -0.794 -0.840 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 4.849 10.116 49.562 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 0.742 -8.794 -15.489 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 -2.396 -2.738 -3.680 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 -2.136 -14.440 3.728 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 5.593 -5.436 -8.107 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 1.795 -1.239 3.769 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 10.267 -10.879 -13.798 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 -21.151 2.428 -3.167 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 2.561 1.131 2.057 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 16.348 -3.189 -12.532 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 9.867 22.392 2.662 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 1.857 0.301 -0.761 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 -3.664 14.836 7.542 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 15.316 -6.346 8.551 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 0.125 -3.064 -0.826 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 6.310 23.582 -1.741 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 3.367 7.183 0.815 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 -0.837 -2.831 0.112 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 -20.805 1.061 11.508 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 -14.918 4.776 14.373 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 -0.184 1.874 3.741 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 14.017 32.638 7.428 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 -3.924 16.281 28.603 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 0.187 -1.692 1.276 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 -21.757 -13.829 -0.926 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 13.033 5.833 -0.074 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 6.696 -0.774 0.493 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 26.260 -10.031 11.349 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 8.884 2.618 -0.065 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 0.341 6.950 -0.554 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 6.743 4.451 14.128 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 -16.156 7.145 4.392 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 5.606 -3.607 -3.241 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 -1.986 -19.926 -4.216 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 -14.521 0.860 2.802 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 6.253 -6.242 -6.416 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 20.714 0.658 -2.504 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 6.350 -15.362 6.946 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 -4.520 6.583 -4.047 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 9.289 9.822 -8.210 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 -4.648 -2.194 6.617 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 3.111 1.339 3.608 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 9.412 16.743 11.360 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 -14.669 2.065 1.032 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 -0.149 -1.051 -4.339 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 0.768 -1.894 -11.659 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 -1.700 4.676 -7.782 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 -6.837 -0.959 4.415 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 15.443 4.736 -19.329 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 -6.996 -17.159 0.534 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 -2.901 -2.290 -1.911 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 -21.643 15.547 -3.607 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 -7.581 -20.797 8.468 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 -1.762 1.980 -4.106 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 -6.114 5.988 -9.473 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 -19.445 -8.027 17.058 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 3.031 1.936 1.738 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 14.964 -30.084 -9.569 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 -13.956 9.543 -4.391 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 -1.260 -4.154 0.264 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 -0.584 20.863 -20.464 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 0.092 -12.152 0.689 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 -1.950 -9.651 4.724 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 -14.665 -13.935 -1.730 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 2.080 -3.574 5.064 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 3.527 1.685 -5.502 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 6.482 -9.384 3.905 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 12.709 11.525 3.405 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 0.480 -3.014 -3.682 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 -11.422 3.642 -23.438 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 -2.465 -16.970 -4.364 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 0.393 3.745 5.354 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 -2.127 -3.330 16.082 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 9.994 11.764 2.508 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 -3.624 3.937 -5.041 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 -33.598 -27.597 -2.400 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 11.144 -4.889 22.147 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 -0.843 2.562 2.813 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 -6.824 11.989 4.874 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 1.685 -0.157 1.033 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 -2.071 -2.252 -2.023 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 -3.353 -10.931 -7.802 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 9.221 6.386 -5.926 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 -9.901 -2.537 5.328 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 6.829 -18.696 12.197 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 -7.124 8.037 29.052 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 -0.457 -1.766 -8.221 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 -5.390 -4.275 -8.808 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 3.750 17.991 -14.549 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 2.321 3.114 -2.014 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 11.226 -14.569 6.940 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 13.342 6.505 -19.412 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 -3.478 1.200 0.349 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 -26.907 12.594 -1.491 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 -5.052 2.328 10.550 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 7.104 -2.718 1.907 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 15.769 19.125 26.215 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 7.640 2.010 -1.934 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 3.299 0.570 -2.123 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 13.736 -20.971 -6.451 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 7.687 -9.291 4.093 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 0.707 -3.651 1.371 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 -15.625 23.180 -10.174 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 2.302 -7.558 2.418 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 4.820 -1.941 3.691 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 2.410 -1.755 -1.153 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 12.238 -12.752 1.674 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 11.455 -8.372 -0.240 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 12.848 14.582 1.891 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 2.636 2.681 17.935 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 2.219 -2.526 0.178 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 9.205 13.661 -4.338 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 3.242 -10.231 5.609 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 -0.373 -5.058 1.979 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 4.679 -24.746 11.863 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 -17.965 7.616 -24.882 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 3.143 4.810 1.968 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 -5.453 5.844 9.311 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 12.944 5.061 -5.020 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 -5.688 -0.417 -2.269 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 10.774 -9.636 24.867 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 10.624 4.781 -4.497 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 4.968 -1.915 3.886 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 -14.199 -6.814 -16.147 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 5.622 -16.428 16.840 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 5.784 3.229 3.528 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 0.482 -8.106 17.060 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 1.787 8.493 4.776 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 1.456 2.400 -1.614 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 -2.504 -0.082 0.577 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 -18.640 -5.511 9.423 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 1.536 1.681 -0.455 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 -0.842 -17.426 -6.353 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 -6.227 -6.999 -12.672 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 1.906 0.654 -4.657 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 1.044 8.715 -15.457 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 -1.767 -22.324 -23.117 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 4.635 -4.150 -4.124 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 -12.529 8.172 17.948 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 0.859 -5.076 5.945 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 2.514 2.338 3.264 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 8.028 7.857 12.237 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 12.056 11.275 22.334 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 2.998 0.608 2.261 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 -5.914 13.883 9.178 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 -13.804 -14.075 -0.135 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 2.119 -1.251 -8.107 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 -3.308 -6.514 -1.300 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 -2.117 -2.948 -10.736 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 -9.142 -2.527 1.112 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 9.494 10.055 -18.808 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 1.670 -1.944 -1.906 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 -6.752 -2.282 -3.017 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 -22.879 -2.927 -14.033 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 11.682 -22.796 -25.386 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 -3.320 3.123 -7.571 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 0.648 4.332 -18.234 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 -0.133 0.980 4.827 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 6.556 0.737 -1.208 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 -9.864 1.270 11.594 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 -18.506 23.521 2.401 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 -1.967 0.284 0.131 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 3.944 5.173 5.019 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 -1.906 -5.062 -16.916 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 3.244 -3.398 0.379 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 13.347 -7.007 -9.622 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 -13.661 1.128 -1.225 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 -6.743 -2.134 -4.249 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 25.364 -1.297 -5.332 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 12.094 -1.626 -4.777 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 -1.715 -0.903 3.964 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 -2.149 -1.367 4.223 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 -2.194 -1.971 6.604 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 2.964 -5.184 -0.705 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 10.318 -16.805 5.270 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 -11.782 -10.163 1.790 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 -1.495 4.830 3.273 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 -11.425 14.624 -13.234 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 10.877 12.119 21.410 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 3.319 9.436 7.074 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 5.755 35.985 -0.076 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 7.930 25.742 3.999 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 5.252 -0.999 1.941 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 -16.479 5.345 -2.285 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 4.406 -20.432 -8.317 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 -3.655 -4.954 2.049 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 -10.246 -9.047 4.166 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 -4.854 3.926 10.832 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 -4.525 -6.752 -0.701 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 -11.466 -15.495 -11.530 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 5.926 -21.848 1.740 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 -3.018 -7.226 -8.294 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 -8.096 -19.464 -22.322 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 11.240 2.413 -14.577 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 3.772 0.775 -4.651 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 -0.750 0.005 -3.009 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 -8.802 -20.625 8.702 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 -0.938 3.581 0.356 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 19.606 1.107 15.622 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 6.660 -5.892 3.743 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 4.202 -1.820 8.649 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 -2.157 -10.739 5.937 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 29.579 18.836 35.912 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 0.818 -3.553 2.583 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 15.432 -0.102 -11.716 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 -18.972 2.897 -2.420 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 -5.176 -4.092 -4.030 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 -6.267 -10.462 -7.568 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 1.193 -3.835 -1.895 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 4.968 -2.254 0.435 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 10.925 26.035 -7.416 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 -10.170 -13.320 -23.684 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 -2.425 6.981 2.022 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 -11.039 -5.622 -6.469 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 11.766 14.909 2.661 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 5.206 4.353 -3.727 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 -2.363 -7.788 24.440 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 -12.848 9.035 7.152 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 3.527 -2.201 -0.364 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 -12.652 -4.224 6.998 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 2.462 -2.186 -1.144 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 0.108 4.860 -1.960 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 2.972 21.385 5.468 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 -15.145 6.384 -7.794 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 3.427 -4.311 -4.808 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 -11.674 10.845 -3.194 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 -10.784 -6.196 -10.612 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 5.191 -1.742 4.667 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 -16.927 6.383 13.254 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 -10.480 8.630 -7.541 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 2.066 2.547 3.948 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 0.622 10.569 -4.407 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 10.141 -14.136 17.977 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 -6.986 -2.375 1.019 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 -7.659 30.749 -15.124 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 -33.198 -5.223 29.123 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 4.898 4.925 0.643 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 4.291 3.559 -38.693 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 -4.771 4.045 -24.583 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 5.443 2.581 7.397 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 26.799 14.085 -0.164 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 3.070 -8.564 8.488 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 -5.688 6.018 2.172 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 -5.552 -3.328 -9.371 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 -0.929 17.845 19.953 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 -1.249 -0.011 3.650 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 -18.083 -10.428 9.875 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 11.563 0.922 3.067 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 3.439 -5.344 -0.368 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 5.463 1.965 -11.534 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 -1.004 -0.561 3.441 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 -1.318 -2.188 -2.337 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 -1.553 -10.136 10.478 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 -4.193 -5.076 -4.489 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 -11.255 -2.374 6.851 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 -10.011 -4.697 -1.511 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 -4.592 -3.984 0.825 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 -5.343 -3.164 -2.201 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 1.449 -13.422 2.271 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 14.736 17.632 -22.850 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 -9.397 -2.021 -5.958 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 -14.238 0.600 -7.535 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 -7.049 -2.240 -6.122 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 0.065 -1.598 -2.440 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 -11.784 -4.846 6.292 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 -10.090 -4.612 -6.838 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 -0.589 6.210 5.477 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 -2.440 7.233 19.794 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 19.772 4.780 7.529 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 2.358 -3.688 0.255 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 -3.143 -23.381 10.623 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 5.836 -4.361 -21.456 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 -0.856 -0.525 -7.385 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 -20.997 12.316 -16.175 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 -1.976 19.447 -20.605 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 1.941 -0.372 0.598 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 -13.202 -14.319 -21.258 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 -12.675 8.272 11.023 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 -4.303 4.873 -4.421 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 -18.035 5.408 17.883 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 11.439 18.035 -13.691 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 1.356 0.971 -3.708 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 11.197 2.277 -21.926 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 4.291 9.063 -1.023 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 -2.673 1.065 -7.113 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 -4.885 -20.380 -13.948 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 1.486 -6.095 -7.057 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 2.061 0.326 -5.110 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 -1.558 4.303 -11.162 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 -1.538 -13.425 10.621 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 5.200 -5.098 -0.955 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 2.130 -16.729 11.942 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 6.011 -0.543 -4.931 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 -1.406 3.303 5.109 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 -1.833 3.263 -1.840 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 21.577 -3.560 -4.869 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 3.229 0.958 1.757 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 -11.839 3.079 -7.336 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 24.040 -5.226 11.584 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 3.937 -8.093 4.008 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 -0.744 -17.862 3.458 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 9.594 -1.367 -4.923 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 1.161 -4.576 -1.269 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 4.665 -2.391 -16.042 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 -0.343 -4.702 -0.470 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 -0.363 -3.225 10.502 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 7.498 -7.024 13.796 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 -20.885 2.517 15.673 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 4.490 -3.441 8.313 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 35.522 -9.182 10.768 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 -1.797 -1.967 -39.439 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 1.977 2.133 -0.689 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 8.889 7.690 -10.041 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 0.091 -11.486 20.670 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 -4.811 -7.941 -6.942 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 -8.513 1.291 7.949 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 -1.359 -6.959 -3.417 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 1.466 1.259 9.977 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 -4.317 7.788 5.237 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 14.247 9.586 8.252 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 1.160 1.675 3.507 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 12.563 -19.098 -9.210 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 -11.286 13.224 -2.207 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 -2.022 -1.519 -2.485 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 -6.402 -14.528 -9.206 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 -12.085 1.582 5.760 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 -0.907 -4.032 -5.087 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 -17.867 -7.654 2.523 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 13.975 -15.119 7.540 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 2.290 -3.984 -0.913 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 6.669 -0.829 -6.629 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 5.904 -1.364 -4.726 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 2.366 -4.209 -1.004 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 -4.625 15.447 14.268 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 6.825 6.881 -24.324 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 -0.166 5.484 1.035 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 -2.622 -2.946 2.602 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 4.832 16.226 5.819 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 -4.988 5.770 -4.822 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 -16.670 -17.925 -3.928 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 -7.993 30.852 19.568 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 1.091 5.429 -1.510 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 -2.053 11.263 -6.852 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 9.787 16.509 -2.438 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 -2.556 1.547 -3.050 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 -2.269 -19.892 -14.492 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 5.901 20.534 -19.507 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 2.474 -2.930 -0.802 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 -2.700 9.011 11.481 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 -14.183 -3.008 3.466 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 3.362 1.428 -3.542 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 -17.914 -2.728 -26.072 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 -8.021 16.178 -8.753 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 -2.113 -6.646 -2.506 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 -21.890 19.648 12.263 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 25.145 -2.400 -25.809 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 -2.288 2.361 -5.987 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 -20.300 -2.537 -8.574 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 -2.461 27.803 -13.339 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 -5.821 -1.678 -4.012 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 -14.615 -7.384 9.290 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 -10.695 6.958 -9.543 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 1.407 6.144 2.218 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 3.680 27.877 31.819 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 9.023 1.272 -18.144 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 3.298 -3.308 4.148 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 -3.821 -3.299 -13.188 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 -6.352 -2.742 -18.761 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 -2.808 4.627 0.868 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 -4.087 6.262 -3.445 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 -6.159 0.479 2.963 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 -0.015 1.548 2.526 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 7.128 4.897 9.611 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 -6.721 -4.758 -3.666 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 -2.693 -0.841 -1.179 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 -17.423 11.523 20.246 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 -6.241 -8.213 1.631 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 -3.443 -5.429 -0.641 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 3.009 -3.784 -10.829 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 12.076 -16.778 -0.391 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 2.577 -6.246 -2.273 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 14.599 6.777 19.131 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 -8.775 7.523 -8.357 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 2.912 1.703 7.832 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 10.962 4.420 -1.520 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 -15.736 3.837 10.106 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 -1.767 4.762 7.462 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 -6.620 12.831 16.174 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 11.764 3.773 9.280 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 -1.300 -3.819 -3.890 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 -17.731 0.657 4.464 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 29.732 -3.009 -15.661 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 -1.422 3.198 3.788 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 -19.699 10.143 -9.224 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 -1.588 -13.821 -0.278 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 -0.391 2.509 3.816 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 -15.226 5.151 -4.901 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 -4.177 6.405 -6.576 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 -7.831 -0.920 -6.894 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 -8.721 21.380 6.494 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 -9.254 6.243 -13.257 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 6.290 3.189 -4.711 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 22.965 -21.467 -30.949 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 -0.922 19.677 3.901 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 1.841 -0.641 2.289 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 9.330 14.796 -0.739 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 3.387 -9.039 -13.540 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 2.629 3.542 1.026 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 10.935 4.835 7.213 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 0.620 8.244 2.203 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 2.977 -6.981 -1.752 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 3.218 -6.058 -2.128 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 3.957 -6.784 -10.374 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 -2.011 -5.494 1.105 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 4.946 -12.372 16.129 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 -11.205 5.040 -18.505 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 -0.196 1.086 -2.375 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 13.345 8.890 -12.899 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 -13.993 1.055 -1.150 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 -0.016 2.443 4.201 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 22.620 -9.070 14.270 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 -12.655 -3.060 -1.250 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 -2.730 0.086 -0.152 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 9.012 4.956 -21.624 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 -23.334 4.029 -0.962 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 -3.403 -7.195 -2.001 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 -7.868 -5.211 -4.682 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 4.359 -6.017 3.029 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 -10.333 3.827 -2.889 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 1.870 2.311 6.251 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 -4.877 -10.371 -20.434 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 -4.648 1.838 -1.350 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 -20.040 2.508 -9.992 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 -2.358 -9.359 -17.686 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 -2.328 -6.230 -0.464 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 -2.644 12.166 -3.804 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 9.512 -1.094 -21.817 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 2.286 -0.620 -0.394 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 8.481 -6.925 -10.587 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 3.535 14.989 -2.371 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 -8.612 2.590 -1.485 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 4.748 -4.507 -7.934 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 -1.703 8.341 1.114 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 7.704 7.299 -0.444 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 10.393 7.250 -0.495 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 -10.832 9.961 -5.926 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 -4.546 -0.501 -10.127 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 -21.773 -11.832 -5.992 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 -5.684 -4.164 -17.348 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 -7.068 6.184 -2.317 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 0.201 18.067 2.140 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 -31.751 -19.672 -13.860 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 2.882 -0.321 6.559 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 7.393 -16.827 10.703 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 -1.903 21.381 6.302 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 1.259 5.515 -1.575 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 -3.283 10.688 10.184 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 -1.950 5.455 -0.281 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 2.852 -8.857 -3.809 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 -6.426 -17.426 -0.622 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 7.388 -2.599 7.221 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 -2.700 4.553 -0.477 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 -0.791 -6.494 -4.589 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 -15.280 3.987 -2.866 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 5.071 3.621 -2.128 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 29.411 -1.266 -4.370 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 4.261 9.827 0.821 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 3.854 2.735 -3.456 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 -6.569 -7.928 -4.444 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 4.171 2.735 -3.337 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 0.196 0.685 3.507 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 3.449 11.520 -6.505 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 -6.598 21.958 -5.270 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 -2.835 3.277 5.338 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 -11.540 -1.152 4.613 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 4.074 3.199 -0.210 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 1.495 0.243 2.115 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 4.238 10.302 -8.041 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 -2.490 -4.552 6.244 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 -2.312 6.674 2.429 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 12.396 -6.540 -10.044 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 -16.738 12.866 -9.612 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 3.784 -1.706 -0.251 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 0.745 0.534 -0.499 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 -5.051 3.055 -2.199 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 0.510 -3.770 3.552 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 -4.396 -9.501 8.260 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 7.970 4.133 3.409 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 2.850 0.546 -2.163 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 20.330 -8.006 -1.548 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 -11.866 1.569 -4.177 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 0.205 3.651 -1.056 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 4.426 -16.559 2.114 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 -18.185 -10.481 -6.946 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 5.704 4.842 -1.564 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 6.158 2.030 15.074 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 -13.613 1.336 -12.024 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 -2.354 6.043 1.725 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 0.533 17.341 -2.337 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 -0.278 7.161 2.286 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 1.954 2.200 6.190 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 5.535 -28.226 -0.349 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 9.114 2.422 34.263 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 -3.096 -0.669 3.608 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 4.071 1.724 -6.944 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 3.943 -4.148 9.201 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 5.826 3.834 3.045 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 3.583 22.437 -5.684 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 -16.919 0.888 0.423 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 -10.272 -2.796 -1.702 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 -11.228 27.923 -5.775 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 -6.906 19.956 -4.855 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 -0.976 3.452 1.665 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 -2.565 8.609 -4.707 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 20.578 4.323 1.859 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 3.179 0.050 -0.700 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 7.950 4.413 17.093 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 11.847 0.445 5.904 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 5.206 0.798 2.523 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 -19.341 -0.395 -4.459 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 5.352 -3.019 -2.407 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 -2.584 0.087 -2.657 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 -0.514 2.004 -16.308 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 -13.951 1.703 0.200 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 -5.872 -4.387 9.311 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 -5.300 -5.571 12.088 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 -9.128 -8.680 -1.088 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 -0.614 -5.436 -0.327 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 -15.702 -10.171 0.310 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 3.621 7.048 -7.159 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 4.795 2.309 7.397 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 -7.953 15.889 5.896 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 -23.184 8.685 14.396 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 -6.629 2.859 -1.733 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 -17.084 5.586 -8.046 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 -1.049 -9.300 -19.625 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 6.153 -5.238 4.657 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 -8.957 -4.143 -7.477 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 -5.010 2.255 -2.695 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 1.889 5.221 6.422 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 6.415 1.857 14.560 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 -8.135 7.883 -2.132 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 0.329 -1.919 -5.281 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 6.889 10.531 9.117 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 -0.578 -4.886 -12.554 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 3.998 -5.510 -4.656 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 8.252 9.973 -2.689 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 25.051 -10.664 -3.690 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 2.761 3.403 2.759 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 -6.113 4.067 1.649 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 -3.543 -3.516 -2.841 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 -0.453 0.099 7.549 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 -4.819 3.972 0.155 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 -0.891 -4.427 12.499 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 -2.311 -0.040 -0.405 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 -22.396 0.028 -9.394 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 12.797 -1.159 -17.599 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 -7.465 3.257 -2.136 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 1.191 4.288 -0.834 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 -7.613 13.148 -1.653 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 1.621 -2.292 -1.676 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 6.553 5.098 2.756 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 15.576 -1.132 4.803 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 0.410 3.579 -2.668 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 16.952 -16.655 12.964 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 -40.953 41.433 -26.792 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 -0.606 -3.000 -0.536 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 -28.194 -5.150 -6.084 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 9.485 2.104 7.039 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 3.456 -1.788 -4.711 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 10.288 -9.816 10.057 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 13.417 -14.028 17.625 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 -7.490 -4.406 0.101 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 0.460 -4.914 -3.402 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 -9.726 5.242 0.051 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 -5.188 -3.401 -3.445 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 -16.577 0.249 -17.962 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 6.685 -12.169 19.248 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 -2.505 -3.583 -2.536 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 -21.061 -18.071 -19.323 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 17.654 -10.185 -27.020 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 0.159 1.820 -2.070 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 9.641 3.831 -11.852 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 -3.333 -11.982 -2.383 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 -4.163 -2.800 4.343 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 -10.332 4.761 -21.092 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 3.305 -14.025 -7.477 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 -1.524 -3.207 0.738 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 6.589 -0.540 14.000 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 -20.262 -8.555 -4.785 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 2.278 5.742 0.078 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 -19.549 -0.297 -11.659 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 -3.021 -23.418 0.826 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 1.714 -9.978 -1.251 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 -9.242 -2.390 -9.505 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 9.599 1.772 -5.008 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 7.437 1.133 -0.471 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 13.622 8.413 -1.058 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 4.685 -5.564 6.631 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 7.305 10.141 -0.649 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 5.137 -12.946 -16.501 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 10.145 19.915 -8.279 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 5.298 0.594 1.501 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 0.748 15.004 7.258 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 4.751 -1.151 2.718 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 0.409 0.871 -3.011 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 -2.783 -3.269 6.288 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 2.573 -8.613 -9.605 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 -9.304 -7.267 6.095 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 -34.394 1.749 -9.853 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 0.093 12.714 34.645 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 1.732 -2.473 2.167 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 1.011 -6.343 -0.260 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 2.473 9.168 -21.752 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 5.404 7.710 6.361 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 16.216 7.990 2.127 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 2.264 4.823 9.418 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 -1.108 -3.703 0.935 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 -4.113 -26.532 12.070 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 -13.181 25.035 15.559 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 -8.071 0.863 -5.288 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 -9.890 -7.643 11.897 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 -6.122 -9.357 -7.422 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 -3.342 -3.514 2.552 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 4.746 1.183 20.182 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 -25.273 -7.903 2.389 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 -0.323 -5.203 5.243 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 -1.070 -9.654 6.735 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 17.621 -11.840 -7.654 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 2.485 -2.393 0.459 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 10.439 9.582 -9.098 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 3.902 5.716 1.053 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 -1.895 -7.260 1.262 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 -26.419 -11.156 -18.390 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 -15.329 -7.526 -9.105 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 3.441 -4.099 -5.964 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 24.943 -9.649 -9.999 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 36.950 -6.126 -12.736 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 0.506 1.324 4.195 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 -21.468 5.585 4.316 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 -2.090 10.823 7.536 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 -1.286 1.188 -1.699 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 -2.951 -2.096 -14.526 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 -8.914 -0.843 -0.189 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 1.105 -5.708 -3.408 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 -13.571 -17.052 -18.009 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 -12.362 -6.190 -18.433 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 4.068 8.749 6.909 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 4.226 8.722 6.313 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 1.425 -28.245 -2.588 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 0.065 8.815 3.091 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 0.552 18.186 -4.988 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 0.260 -0.091 7.951 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 -5.061 -2.200 4.597 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 2.041 0.282 3.893 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 -32.562 4.348 3.103 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 2.256 -4.900 -0.182 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 -2.693 -3.479 -16.431 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 6.618 -1.056 1.658 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 -1.210 0.629 -1.300 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 4.402 8.800 3.497 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 14.488 -15.850 -32.050 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 4.353 1.593 4.614 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 -14.052 8.536 -19.174 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 18.575 2.696 2.971 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 -3.318 -3.472 -1.249 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 21.781 23.379 -8.401 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 8.466 -7.342 2.060 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 -3.683 -0.499 5.176 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 -7.255 -13.413 -15.837 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 8.667 1.978 44.154 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 7.014 0.983 3.992 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 13.516 -15.579 -0.944 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 3.398 -19.613 9.766 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 -1.989 -0.496 -6.110 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 1.549 0.813 -5.193 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 10.922 -3.235 -13.529 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 3.623 -0.187 -3.147 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 7.594 -17.613 57.068 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 16.261 3.251 -12.729 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 2.333 -6.351 0.910 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 -3.096 0.684 -10.447 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 3.275 0.298 -5.079 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 -3.336 -6.218 1.095 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 -2.496 -5.885 0.652 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 -19.669 -22.846 -1.809 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 5.540 1.060 -3.004 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 -2.882 1.239 -6.435 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 -20.355 6.106 20.550 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 -4.722 2.897 7.373 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 -4.191 15.172 10.886 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 -6.114 5.357 -9.419 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 -1.281 -1.007 1.616 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 -9.919 -8.547 3.308 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 -7.787 -2.221 -3.343 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 -0.211 3.150 6.507 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 2.849 -5.892 6.564 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 2.848 25.428 4.606 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 3.370 6.675 4.719 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 -3.318 17.280 2.220 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 10.045 1.973 7.461 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 -1.257 -5.263 -3.993 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 3.608 -0.145 2.915 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 17.350 -14.001 5.972 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 -1.595 4.430 1.441 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 -14.049 -14.467 8.319 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 -14.269 11.497 -2.200 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 1.872 -6.745 -5.247 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 21.650 6.678 -0.444 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 -5.707 -8.920 15.216 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 -3.339 -0.781 2.546 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 -23.423 22.856 13.030 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 -1.474 14.638 -1.033 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 -8.123 3.836 1.213 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 9.797 -9.940 -4.687 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 -12.490 -8.452 31.790 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 -4.676 4.918 0.924 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 20.491 19.549 16.592 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 -5.113 5.033 -0.585 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 -2.224 0.297 4.147 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 7.142 6.541 23.429 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 0.378 -3.344 -13.297 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 -7.438 4.211 6.252 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 -9.523 12.313 11.894 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 -5.891 3.489 8.276 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 -1.888 -1.671 3.958 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 -0.736 0.461 -5.225 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 -9.278 -12.735 5.213 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 -4.530 4.300 6.303 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 -6.712 -3.184 14.447 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 -19.378 -19.056 3.816 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 5.600 4.560 2.608 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 9.520 -16.566 1.343 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 -6.197 7.003 -7.930 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 0.542 2.577 -1.283 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 8.025 -9.567 -1.985 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 -5.286 11.770 -0.678 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 -2.437 0.569 4.929 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 -2.491 0.846 4.454 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 -8.007 -10.288 -12.225 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 2.980 -1.361 3.739 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 2.093 -3.428 3.160 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 1.836 -2.670 3.436 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 4.448 -1.896 -0.434 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 14.911 -9.365 -8.106 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 7.028 -8.049 -12.308 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 2.194 -7.958 4.753 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 4.434 -6.787 8.214 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 5.793 -5.051 18.792 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 -1.008 5.140 -3.350 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 -14.859 -25.889 19.058 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 -2.280 1.598 0.137 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 -0.101 -5.471 1.081 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 -10.483 -30.320 -4.101 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 -6.213 -12.894 -0.049 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 1.407 7.453 -0.005 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 3.836 -1.416 -12.413 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 -18.335 7.782 -6.247 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 -0.419 -1.531 4.350 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 2.788 -11.166 -15.525 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 -16.645 29.228 -0.623 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 4.629 4.203 -1.318 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 2.261 1.705 -15.285 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 -10.706 6.165 5.314 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 0.057 -0.619 -0.116 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 0.279 -0.133 -2.408 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 -1.484 2.767 14.435 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 6.398 -4.357 -9.826 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 9.879 -7.049 0.901 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 9.655 9.865 -5.963 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 -3.115 -3.107 3.272 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 -4.284 -12.101 1.932 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 -8.782 -1.058 4.604 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 -0.959 4.999 -3.496 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 -0.122 5.710 -7.555 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 3.117 -3.091 -2.514 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 -2.456 -1.394 -4.928 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 -7.181 23.522 -5.877 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 0.120 -6.278 12.717 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 2.364 -2.114 -3.608 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 1.561 10.357 -10.503 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 -2.915 0.533 6.970 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 -5.655 1.708 -2.226 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 -38.946 -6.614 -9.227 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 -4.502 14.413 -1.732 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 0.129 7.725 -5.430 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 26.884 -4.229 -17.159 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 -16.170 -7.866 1.057 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 -2.958 -2.350 -5.322 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 -22.555 11.392 -16.689 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 -16.367 -19.082 14.177 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 -1.277 3.530 -1.416 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 -16.991 -11.121 18.701 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 -1.675 -4.919 1.513 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 2.309 0.977 -5.275 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 -14.340 -16.226 -5.915 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 -10.221 -8.979 2.177 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 2.386 2.282 0.609 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 -7.431 7.316 -19.357 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 -5.775 -17.443 0.500 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 3.997 1.810 0.003 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 21.081 15.908 -6.956 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 -5.852 3.533 -10.882 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 -2.477 -4.745 2.658 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 -7.321 -2.705 2.592 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 3.696 -5.610 -0.405 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 1.492 -0.028 5.321 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 11.650 0.314 2.644 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 -8.674 1.265 8.488 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 8.868 10.764 -0.486 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 14.625 -0.789 7.879 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 8.613 -6.117 2.226 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 -2.484 -1.463 3.085 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 14.240 -4.910 1.092 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 9.177 -10.157 6.740 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 -2.824 2.776 -8.780 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 22.033 1.723 -4.129 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 -17.322 -18.385 21.419 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 2.759 -0.895 -0.614 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 9.680 -3.161 -5.901 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 13.757 1.113 5.500 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 -1.716 -1.382 -5.385 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 -10.847 1.065 -1.249 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 0.501 -12.762 -3.365 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 -3.179 -0.331 -4.675 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 -6.210 -11.814 -19.231 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 7.719 -1.579 -4.423 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 -3.358 -2.539 -4.127 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 3.643 -7.731 -4.314 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 -3.802 -0.671 1.078 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 -4.086 2.384 -2.171 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 -3.178 -8.332 -5.658 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 -2.612 14.088 -12.958 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 0.588 4.030 2.387 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 -14.500 21.056 14.530 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 9.566 4.876 9.075 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 -1.612 3.270 -1.676 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 -4.269 2.666 -0.127 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 -18.573 -5.338 11.813 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 2.996 -5.619 2.654 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 -3.274 4.590 -3.120 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 8.905 -12.758 7.615 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 -0.511 5.139 -1.330 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 -2.718 9.934 -9.056 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 9.928 -2.886 -2.837 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 -5.917 -2.661 -0.030 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 -0.648 -16.816 -6.531 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 18.025 -13.570 -12.309 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 7.380 8.497 -2.160 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 -9.792 4.583 21.667 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 -7.283 0.403 15.079 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 2.788 -1.044 2.906 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 6.475 11.589 -3.550 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 15.835 5.532 15.843 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 -11.219 -1.630 -1.686 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 26.993 -5.873 -8.702 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 -7.408 17.837 -13.239 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 2.747 2.831 1.256 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 -15.227 4.304 3.401 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 4.571 2.937 -4.993 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 -3.712 -1.299 -4.931 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 -23.419 -18.025 -21.073 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 16.033 -14.860 -0.293 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 -0.027 1.450 0.541 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 10.967 13.884 -0.614 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 -18.913 -16.668 3.812 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 3.883 -4.738 1.562 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 -5.954 -17.378 -17.371 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 -8.473 -15.526 17.523 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 4.901 2.914 2.832 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 -0.554 14.226 3.003 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 18.003 -5.989 -3.056 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 2.933 3.667 1.910 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 5.743 -0.298 -3.247 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 -4.242 12.381 13.227 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 0.678 1.569 1.854 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 15.067 5.627 5.882 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 -3.720 -1.381 -3.726 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 -6.941 -2.399 3.198 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 -0.423 -3.756 6.593 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 -4.991 -4.977 12.203 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 2.817 1.201 5.200 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 3.824 -5.997 6.635 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 13.081 9.854 1.937 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 2.913 -2.445 -2.245 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 -1.281 2.136 -0.612 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 -5.518 -17.231 9.559 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 -0.956 -2.854 3.307 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 -12.364 6.155 6.417 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 -14.924 6.796 -1.178 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 3.650 -1.692 -4.611 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 8.176 2.059 9.569 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 8.249 -5.443 -25.224 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 -8.786 -4.950 0.020 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 -7.065 -8.839 -5.930 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 -4.553 -14.097 -12.202 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 1.032 9.195 -0.799 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 1.569 9.473 -1.490 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 1.231 7.980 -0.093 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 6.780 3.991 4.742 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 7.446 -5.217 -17.702 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 -20.125 35.106 1.567 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 1.068 5.527 -1.990 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 21.444 -5.998 -30.042 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 1.012 -0.712 -8.659 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 0.081 -6.047 3.051 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 12.055 -12.514 28.120 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 -21.901 -12.637 2.384 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 -2.528 -0.930 3.622 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 1.039 -3.052 17.279 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 0.392 1.705 6.035 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 -1.657 2.955 -6.503 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 13.537 -8.500 11.139 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 11.598 -6.091 21.399 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 2.717 2.118 -11.036 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 11.924 1.432 -16.837 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 -6.424 4.699 -10.703 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 1.396 0.036 2.669 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 9.382 2.997 7.728 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 8.973 2.054 6.642 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 -2.142 3.451 1.443 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 -9.189 20.692 9.410 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 8.814 5.767 5.644 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 0.758 -1.765 -0.242 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 -1.075 3.484 1.528 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 -20.262 -5.258 -2.446 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 5.671 7.383 4.606 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 2.729 -11.548 42.424 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 12.986 13.661 4.162 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 9.209 -0.838 0.926 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 -9.052 4.798 -17.087 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 -5.519 1.141 29.342 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 -4.065 5.979 -4.073 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 14.816 13.410 -1.752 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 2.145 -0.214 -12.858 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 -3.324 1.285 9.513 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 8.493 -19.257 18.820 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 -27.086 0.272 20.249 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 -1.524 -6.062 3.376 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 9.244 -1.389 6.130 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 0.889 -18.120 1.985 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 5.465 -1.703 5.786 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 5.205 9.771 23.618 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 -9.181 5.264 -17.323 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 -0.861 -5.280 1.179 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 -4.169 -3.885 -1.450 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 -5.154 -7.925 -0.364 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 -4.788 -4.593 -0.996 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 -6.443 28.201 -19.480 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 -29.641 -18.763 -1.428 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 -4.507 0.898 0.107 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 5.305 15.074 -0.444 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 -16.924 -1.179 6.933 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 -1.001 0.386 -3.082 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 10.976 -4.436 2.724 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 -19.232 3.566 -11.101 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 2.091 1.370 0.874 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 5.643 -6.558 0.571 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 -7.733 33.068 15.980 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 1.465 6.456 -0.416 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 -7.752 -10.441 8.794 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 -3.673 19.018 -2.457 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 -1.627 1.271 -8.635 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 4.341 -31.502 -8.917 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 -0.349 -3.302 12.336 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 -2.464 5.362 5.539 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 4.211 -5.737 -9.266 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 17.652 6.164 -4.855 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 -5.198 -4.791 8.577 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 -7.310 -4.348 -0.241 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 -12.606 -6.217 -25.169 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 -0.958 2.690 -0.021 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 15.907 4.545 18.722 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 -8.738 -12.236 -12.795 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 -1.836 2.224 -1.535 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 -1.989 7.028 -16.827 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 -7.558 -13.511 17.036 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 -0.773 -3.392 -7.179 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 -9.414 -11.768 11.727 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 4.429 16.925 -1.720 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 5.347 -0.211 -4.031 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 14.776 4.323 8.748 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 -15.274 -5.999 -16.696 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 -4.331 -0.578 -4.236 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 -23.091 -18.806 19.924 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 -21.495 -18.613 7.046 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 -3.018 0.777 -6.606 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 -10.647 -3.640 4.491 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 9.122 7.205 -3.764 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 -4.913 4.134 0.365 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 -8.918 7.987 -8.489 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 -3.776 -4.306 -2.490 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 3.767 -2.293 -0.554 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 -14.808 -3.895 -9.380 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 10.008 -2.127 2.508 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 -0.651 1.869 -0.770 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 -1.395 9.185 6.838 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 -5.547 6.931 12.043 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 -0.463 2.381 0.319 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 0.425 0.730 -12.547 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 1.799 8.767 -18.435 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 3.545 3.519 -4.288 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 16.263 4.237 16.451 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 -5.494 0.226 -8.303 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 -4.434 4.110 9.329 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 -4.832 5.353 0.904 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 -9.423 1.535 -30.284 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 1.392 -0.168 -1.207 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 6.375 4.827 1.862 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 9.047 -1.991 0.189 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 2.092 2.958 1.929 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 -9.320 2.314 12.688 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 -1.485 -0.860 -9.924 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 -5.258 2.033 2.771 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 2.551 7.030 12.594 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 -9.815 2.059 -8.537 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 0.481 1.106 5.644 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 -2.483 -5.033 -1.094 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 -7.259 -6.788 0.100 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 4.639 6.570 -0.065 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 -1.150 14.289 22.164 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 14.513 2.548 -4.196 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 -0.680 9.180 7.686 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 -6.126 -11.573 -8.359 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 -6.136 26.700 -7.136 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 -5.070 9.023 -0.312 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 0.806 9.841 -9.120 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 2.381 16.672 5.207 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 3.182 -0.558 -3.430 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 15.046 29.294 -6.957 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 14.099 -5.460 48.781 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 3.988 2.992 -3.172 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 -21.514 -5.411 7.135 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 22.138 2.240 15.434 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 0.909 -7.032 4.810 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 -8.743 4.388 1.531 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 6.521 -6.669 9.484 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 6.293 3.218 8.270 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 -18.592 8.547 -23.447 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 -5.334 5.399 -19.940 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 2.363 3.787 1.480 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 -4.346 -31.339 -4.604 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 -13.703 20.473 -1.940 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 0.856 0.522 8.086 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 11.403 16.563 -1.811 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 -15.382 4.869 -1.464 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 -3.013 -0.313 -3.444 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 11.205 -1.211 -12.562 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 7.600 -0.717 -9.984 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 -8.629 4.123 1.444 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 5.456 -37.772 -15.100 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 -4.750 -4.798 -2.638 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 -0.753 -4.396 1.801 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 -5.343 -16.190 15.405 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 9.238 -11.449 5.366 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 -0.875 2.849 -0.533 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 -7.445 -6.836 -2.951 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 -4.114 -1.988 -1.176 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 3.619 0.965 -4.521 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 -18.486 30.773 7.403 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 -29.152 7.758 5.400 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 -1.790 -3.708 6.841 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 -7.242 -10.450 7.367 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 -6.279 1.884 3.243 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 -2.941 4.993 -1.026 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 -7.904 -14.766 28.683 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 -11.980 -11.700 23.247 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 -2.888 -1.995 -3.492 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 -3.334 -1.427 15.549 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 -2.260 12.233 -8.850 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 0.009 0.668 8.427 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 -21.388 1.202 -8.806 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 -12.626 2.862 -2.626 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 -5.499 -1.771 -1.660 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 10.669 -6.547 12.243 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 22.562 -8.540 24.459 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 1.581 -0.410 -3.050 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 -3.707 -5.726 8.846 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 21.991 2.976 -17.476 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 -4.297 0.803 -7.381 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 13.912 -8.643 9.797 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 -2.742 22.024 -10.040 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 6.575 1.349 4.123 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 -19.165 22.607 22.532 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 0.484 -22.379 21.970 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 0.882 0.367 -1.235 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 -7.167 12.296 -3.653 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 -5.166 -4.761 -3.364 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 10.231 -1.568 -0.169 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 11.305 4.955 -23.018 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 -7.016 4.442 -2.173 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 -5.874 0.814 -3.519 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 3.697 6.472 29.487 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 -23.193 2.089 -10.188 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 5.262 -4.356 -0.350 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 11.341 -14.975 -3.236 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 -3.292 1.061 15.478 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 0.373 1.982 1.391 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 -7.151 27.649 -9.426 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 -11.516 7.925 6.667 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 -8.415 -2.205 4.825 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 -8.272 -11.781 -9.321 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 5.164 -4.599 14.673 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 0.253 0.108 -0.797 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 1.575 5.593 4.190 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 1.355 3.364 -7.376 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 -2.889 -3.567 3.665 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 -10.405 -9.360 -8.529 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 15.115 -3.565 -7.782 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 -1.278 -0.089 -2.862 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 -3.145 -22.674 7.202 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 0.141 -0.586 -27.024 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 -0.845 -0.843 -10.487 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 -7.382 28.372 5.893 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 -14.483 -1.436 -15.880 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 2.555 1.644 1.768 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 -8.273 2.061 8.130 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 2.894 3.122 10.616 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 3.231 -3.433 0.896 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 3.881 8.738 23.498 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 -2.935 -15.314 31.129 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 -2.332 6.715 -2.675 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 -6.475 2.996 12.220 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 -19.784 6.173 -8.123 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 6.422 -4.318 1.508 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 -8.669 -18.101 15.765 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 -13.492 8.547 -12.132 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 -1.530 -0.805 3.102 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 13.979 -11.025 5.455 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 7.995 -0.433 8.913 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 -4.545 2.897 -1.404 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 -0.587 3.044 8.175 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 9.561 23.473 -14.871 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 -3.041 1.965 4.743 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 -7.747 3.907 -3.012 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 2.416 7.642 10.930 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 0.953 4.050 -2.925 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 -1.067 12.441 25.749 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 10.480 -12.329 -5.015 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 8.656 6.319 0.571 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 12.729 8.693 9.166 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 -3.353 6.016 -24.471 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 3.412 0.352 -2.523 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 -18.044 -3.393 -8.190 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 14.142 17.804 -15.428 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 -1.835 -3.392 -2.101 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 4.234 12.452 7.887 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 -1.130 16.717 -10.563 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 2.848 0.455 -3.546 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 4.552 -3.754 1.650 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 17.468 -7.828 -16.512 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 5.308 2.844 -6.271 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 -7.155 7.675 -41.978 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 2.756 -26.389 -8.312 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 1.475 -5.210 -0.034 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 15.442 -0.397 20.644 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 18.708 20.408 -0.025 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 -4.050 -4.665 0.599 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 -2.792 16.577 15.858 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 -21.416 -5.243 -13.161 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 0.801 4.533 1.252 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 3.105 9.317 -2.855 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 0.002 5.270 1.841 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 9.492 -0.637 -1.350 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 15.242 17.019 -17.913 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 -11.460 -1.418 2.320 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 -7.301 -4.967 -0.921 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 0.027 -1.574 3.031 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 28.850 4.531 6.117 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 -4.236 -7.991 2.063 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 4.914 1.892 -2.296 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 -15.720 -20.929 6.126 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 -2.827 8.114 -2.859 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 4.319 -8.395 21.901 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 -8.468 -14.648 10.971 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 -1.343 3.280 -2.241 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 -2.845 -4.228 -3.956 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 -0.883 -10.083 9.808 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 -4.295 -2.505 -1.310 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 -3.830 13.017 29.326 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 6.808 9.269 1.521 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 2.143 3.656 -1.690 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 8.187 3.195 5.678 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 -19.771 4.674 14.322 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 -0.278 -3.609 1.070 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 -4.046 12.517 -21.675 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 -0.091 -13.381 14.133 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 1.268 -0.323 -9.253 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 17.107 0.732 6.829 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 -2.987 0.225 -19.296 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 -1.372 -0.885 3.616 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 -1.029 12.167 8.599 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 -2.586 0.232 2.001 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 2.469 0.931 2.649 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 -7.184 -1.909 -7.669 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 -0.078 15.945 4.905 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 6.550 0.489 -0.819 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 -1.494 -12.997 -2.741 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 5.642 6.092 5.279 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 -9.160 -1.517 -6.825 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 7.837 -0.469 6.243 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 -20.196 16.062 -5.166 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 -6.786 0.534 5.429 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 -22.049 16.283 2.662 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 3.391 -9.415 6.891 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 6.368 2.499 0.290 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 0.490 -2.106 -8.584 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 3.354 -3.315 1.611 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 1.501 1.624 -3.187 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 -7.650 11.427 3.602 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 -4.178 8.026 -4.910 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 0.956 2.347 0.981 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 -0.742 -7.253 13.856 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 -17.155 1.777 -10.403 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 -0.962 -5.247 -4.939 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 -1.583 -5.939 -6.688 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 -11.951 0.395 -8.562 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 -6.171 -3.711 -0.438 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 7.363 -1.278 -3.955 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 -26.497 36.675 -10.089 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 0.982 5.763 0.669 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 -18.799 8.236 -4.601 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 -14.161 12.959 -25.768 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 3.176 -3.957 -0.780 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 2.304 -2.785 -7.884 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 -13.404 -11.284 1.418 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 -0.608 4.002 -0.291 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 3.199 1.461 -8.361 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 8.486 -4.713 -1.949 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 -0.818 -1.356 7.565 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 21.383 14.321 -5.652 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 14.896 5.758 -2.499 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 6.816 5.415 -0.604 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 1.054 2.014 -11.655 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 5.880 5.820 -2.314 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 -1.329 -3.871 0.708 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 2.744 -25.888 11.773 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 -3.493 2.501 -4.259 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 -4.301 2.425 0.653 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 -12.846 44.588 -7.926 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 -7.360 17.516 -3.852 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 -2.276 -7.018 3.483 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 23.953 10.150 0.680 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 -15.388 5.473 19.120 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 10.971 -3.547 -0.131 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 -1.988 -6.623 -2.483 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 -1.704 15.128 9.316 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 4.349 -3.240 5.113 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 -0.670 -7.375 1.131 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 -9.097 -13.275 0.606 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 1.379 0.681 -0.498 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 1.416 -0.411 28.451 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 -0.905 0.308 7.930 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 1.410 -5.102 1.769 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 2.670 0.674 -5.788 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 13.557 -7.006 -1.800 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 -6.095 4.520 1.632 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 -13.152 2.527 20.936 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 -7.700 4.772 8.565 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 10.154 -5.079 0.444 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 10.867 -31.704 -1.504 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 -5.529 2.416 -8.781 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 -8.748 -1.404 1.050 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 -14.749 -0.847 13.561 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 -20.467 8.160 -1.669 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 -8.008 2.232 1.861 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 -0.834 4.399 13.421 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 -17.965 -3.233 4.415 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 1.090 2.086 2.048 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 1.965 -12.284 -3.466 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 -3.053 3.908 2.099 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 3.844 5.721 -1.944 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 -7.601 4.888 1.918 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 -24.653 19.052 12.731 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 4.999 -0.983 3.445 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 7.683 -3.265 -5.791 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 8.699 -7.104 13.122 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 10.625 -1.995 -5.065 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 0.642 1.352 -10.605 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 15.368 1.024 0.849 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 -2.135 2.525 1.150 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 4.539 -5.634 2.034 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 -11.676 -1.272 2.617 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 2.310 -3.831 -5.628 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 5.696 5.013 -1.349 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 -10.601 -3.135 -14.420 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 -4.958 4.846 3.635 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 4.978 -14.051 7.572 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 -1.584 0.681 8.530 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 -1.190 -14.771 2.074 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 13.522 11.440 -16.753 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 -6.160 -9.243 -19.206 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 1.382 -1.416 4.743 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 -2.379 -3.423 4.929 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 18.990 8.604 1.976 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 -0.250 -2.132 2.615 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 -14.865 -0.144 -5.962 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 19.970 0.097 12.766 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 -0.033 -2.680 -1.038 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 21.190 6.755 -2.893 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 -10.802 9.199 10.143 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 -1.776 3.123 3.243 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 -21.657 12.545 -16.277 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 -2.687 7.824 -9.764 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 3.522 0.241 -3.506 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 -0.485 9.672 -3.327 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 8.577 -11.921 -11.323 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 3.403 -8.141 -0.480 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 7.818 -12.888 -0.223 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 10.209 -9.403 4.171 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 4.336 -0.187 3.222 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 -9.023 -9.639 32.980 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 20.069 12.741 16.698 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 -3.396 -9.891 -7.346 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 -5.523 3.020 -0.479 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 7.570 2.987 -6.326 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 4.190 -1.318 -1.728 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 0.207 1.248 -10.133 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 1.475 9.270 6.026 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 4.832 -1.071 -7.267 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 13.601 -17.351 26.025 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 5.078 1.159 -24.572 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 -0.255 -6.967 1.558 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 -6.015 -13.273 9.394 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 9.962 2.196 -17.619 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 -2.699 5.113 2.326 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 5.999 21.455 -8.259 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 -12.521 8.481 13.963 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 0.939 -5.583 1.797 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 11.866 19.821 8.084 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 2.720 6.201 11.634 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 -3.443 1.170 0.120 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 22.285 16.424 15.629 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 -2.596 -8.127 -3.088 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 13.764 7.532 -1.731 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 14.489 12.212 -13.422 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 18.168 -10.462 -13.586 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 0.542 -4.755 4.187 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 -11.309 -11.581 14.712 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 -18.844 -6.437 -10.513 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 0.439 0.213 9.787 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 -6.837 -3.288 10.988 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 -17.427 -8.182 9.659 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 -7.094 -6.780 4.480 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 -4.971 -1.394 -10.127 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 -22.308 -21.478 24.403 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 1.894 -4.943 1.837 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 12.185 -2.477 -19.846 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 -12.213 6.159 10.871 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 -0.833 1.587 -8.818 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 10.990 -4.032 -1.008 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 -10.874 43.203 19.037 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 -3.039 8.800 8.813 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 -1.770 8.788 10.079 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 9.571 -7.167 -7.675 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 -4.298 4.069 5.424 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 1.403 14.930 14.676 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 -10.879 5.852 -1.219 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 -5.434 -5.721 5.093 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 -12.549 1.877 4.777 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 -10.792 -2.794 15.328 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 -3.200 -4.715 4.273 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 9.855 -17.832 -11.514 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 -2.182 4.979 -22.519 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 5.031 0.395 -3.902 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 -2.247 -7.804 -3.856 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 3.435 11.684 -30.861 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 0.186 0.486 4.943 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 21.913 -5.738 0.299 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 14.975 3.821 3.167 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 -1.728 -0.099 1.832 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 -7.007 -19.541 -5.181 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 7.193 14.854 -1.387 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 -4.261 2.172 5.359 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 3.311 -34.498 -9.555 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 -12.266 -15.633 -9.728 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 -4.857 3.116 -0.786 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 -8.804 6.597 17.880 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 5.029 -20.599 19.972 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 4.725 -1.025 -2.988 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 11.385 -3.089 -7.071 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 17.958 -7.899 -13.527 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 -5.455 -6.349 -0.589 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 -2.108 -19.014 -3.181 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 -1.442 -8.467 -2.205 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 -1.723 -3.332 3.577 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 -4.977 -3.524 -0.812 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 3.131 -2.504 7.284 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 0.438 0.727 -0.380 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 13.777 -25.752 20.204 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 -18.372 20.976 21.811 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 -0.823 -10.731 -2.818 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 11.403 -7.358 -6.341 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 2.318 7.488 -13.048 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 -2.117 6.522 -1.600 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 -3.549 -14.339 6.262 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 1.165 8.100 -4.868 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 -5.122 5.802 0.449 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 0.597 -5.366 -23.660 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 12.181 -0.377 5.543 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 -2.396 -0.233 12.986 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 -1.592 -1.399 11.978 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 -7.714 12.926 17.614 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 0.454 -0.619 0.332 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 -32.807 -7.269 2.592 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 15.820 0.683 0.550 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 2.935 -2.675 -2.786 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 3.393 13.195 -0.742 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 -2.657 1.205 1.448 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 -2.873 -2.743 0.082 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 17.007 1.072 3.403 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 11.767 1.896 2.071 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 1.821 -5.848 3.529 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 3.223 -2.035 -12.067 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 -4.040 -3.747 -0.437 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 -2.600 1.974 1.645 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 -8.639 1.170 14.822 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 15.206 -13.045 6.298 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 -1.064 -4.287 -1.380 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 16.791 -3.886 -9.181 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 21.195 -4.462 10.530 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 5.789 0.071 0.123 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 10.995 -6.195 12.942 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 6.720 20.472 -17.880 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 -1.748 -3.334 -0.276 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 -22.035 9.388 -23.839 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 -11.263 -9.952 -7.006 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 -7.399 9.191 -2.940 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 -4.513 0.315 -11.872 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 -11.427 5.290 -17.227 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 0.263 -3.410 -3.972 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 -4.864 -5.498 -7.877 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 6.393 9.953 14.477 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 7.648 7.923 -3.385 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 10.171 12.370 -19.862 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 -6.168 18.951 -18.646 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 6.058 10.204 -1.204 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 5.369 17.118 5.878 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 9.405 11.185 0.113 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 4.793 -3.115 0.285 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 7.110 19.107 -13.263 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 -2.572 -5.845 6.485 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 -6.017 0.667 2.770 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 -6.542 9.477 1.444 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 -4.465 2.286 1.619 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 -5.222 5.963 4.337 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 7.208 -19.415 -13.152 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 -21.981 4.140 13.584 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 -0.105 -5.539 0.571 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 1.512 -5.379 3.230 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 3.076 -3.480 7.661 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 -7.378 5.624 5.274 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 -8.932 -0.498 11.663 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 -11.172 5.020 -20.182 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 7.773 -0.703 -1.730 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 -43.029 3.196 -7.648 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 17.224 -7.812 4.257 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 -4.534 -7.064 -0.229 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 -8.808 -5.329 -20.103 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 2.717 2.272 -2.692 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 -2.055 -0.916 0.898 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 6.777 20.035 -8.580 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 -43.801 -9.700 25.364 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 -2.682 -3.723 -3.351 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 0.530 1.804 -16.342 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 15.528 0.883 7.994 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 4.308 3.605 3.542 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 -1.908 3.867 5.506 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 4.039 7.735 -1.751 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 3.850 5.284 -5.934 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 15.923 -5.640 -3.593 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 -8.383 -1.836 -8.115 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 -3.030 -0.214 0.847 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 -3.602 8.842 -0.018 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 -2.211 -3.546 -4.996 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 2.495 3.950 9.716 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 2.710 -5.555 -23.015 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 -9.441 9.714 -1.638 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 0.438 -4.016 4.949 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 -6.231 -8.445 12.185 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 -2.614 8.961 13.231 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 8.242 0.894 6.688 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 16.245 -14.870 8.151 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 -8.425 -8.161 9.537 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 -3.398 -1.273 -4.691 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 26.655 -10.077 -5.012 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 21.336 -0.398 -9.568 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 -3.786 -1.679 0.311 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 -11.780 4.097 0.957 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 -8.453 5.946 -6.420 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 -4.885 -6.125 -7.497 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 -6.999 2.311 -12.568 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 -12.036 22.210 -24.216 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 0.812 -1.441 1.133 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 4.810 21.423 11.748 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 5.210 0.460 1.380 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 0.506 1.390 1.090 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 7.471 13.265 -20.180 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 11.073 -10.349 2.057 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 3.009 2.113 2.705 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 21.686 6.887 5.485 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 -8.581 -22.128 8.694 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 -7.502 -6.004 10.885 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 -17.249 -0.018 23.021 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 7.148 0.533 -20.501 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 5.694 6.102 -1.122 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 -6.636 7.135 -12.734 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 0.389 -6.409 9.603 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 2.644 1.152 -5.405 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 5.420 -5.543 -2.033 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 25.697 -35.918 7.738 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 -7.317 1.617 1.991 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 -9.213 -3.206 6.334 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 -0.269 6.597 10.212 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 -1.766 -6.184 0.386 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 -4.820 25.385 -13.418 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 1.691 -36.309 24.839 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 -2.399 -3.548 0.837 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 8.851 -17.741 -14.682 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 -0.114 -14.216 -16.153 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 1.702 5.545 2.511 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 4.999 -7.919 -22.268 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 -14.285 -2.166 17.250 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 5.155 1.552 -6.373 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 -0.515 -2.184 10.309 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 4.782 1.558 -4.810 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 2.945 -0.930 2.098 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 -23.154 21.498 6.142 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 3.943 5.603 -10.790 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 -5.272 2.085 1.670 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 -16.308 1.156 -14.437 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 15.031 -14.517 -3.590 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 -6.472 -5.925 -0.623 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 -11.400 1.802 -19.937 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 2.638 -28.973 -4.472 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 3.939 1.231 -1.313 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 4.136 -2.340 -25.349 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 0.905 -5.783 -3.399 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 -2.857 -0.568 -5.174 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 12.790 -6.592 -7.178 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 0.553 -3.361 -21.945 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 4.039 -0.499 0.524 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 1.820 -29.790 -41.498 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 16.350 6.026 8.633 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 2.557 1.226 -2.793 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 4.780 3.494 -9.630 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 7.538 6.050 28.504 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 -2.533 3.701 0.485 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 7.329 9.682 -10.548 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 3.891 -12.875 11.504 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 -0.971 3.613 1.659 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 21.877 12.916 1.301 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 12.090 -18.370 6.675 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 3.715 2.906 -4.442 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 8.104 2.794 -4.789 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 -6.652 -8.689 -11.659 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 -3.220 -1.070 2.435 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 1.815 -2.872 4.257 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 -5.243 -0.982 0.822 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 -0.812 0.398 0.893 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 2.251 -5.994 19.312 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 -4.808 5.837 -19.026 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 0.433 -1.507 -3.939 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 -1.101 -5.986 -12.315 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 2.004 -16.971 2.524 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 -4.032 -1.559 6.838 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 -6.015 -5.968 28.830 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 -3.924 -0.882 19.369 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 -1.484 0.704 -5.618 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 15.023 5.342 -19.703 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 -15.576 9.205 2.286 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 -4.225 6.211 0.878 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 -14.463 5.902 4.165 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 -35.942 -4.480 17.246 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 3.353 4.579 3.279 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 8.583 7.784 2.526 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 -18.531 4.801 -17.575 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 12.064 -4.364 -1.330 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 4.073 18.533 -2.463 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 -4.542 -34.256 -2.469 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 -0.939 -3.915 5.059 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 4.326 3.115 -3.793 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 5.002 7.093 -17.524 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 3.183 3.590 2.599 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 6.579 22.125 4.487 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 16.111 -10.151 -3.488 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 -2.946 0.985 5.043 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 10.013 14.275 -4.641 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 -10.734 -4.442 8.604 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 -1.457 -0.115 -1.046 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 -9.935 -3.160 -2.717 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 14.284 8.461 7.381 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 -1.015 -3.026 0.841 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 -2.661 -3.023 -13.940 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 -11.873 -10.339 17.900 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 -2.304 -2.429 -1.370 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 -26.772 22.288 6.784 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 12.166 -17.937 -5.827 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 -1.368 4.982 -4.551 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 -1.944 -5.795 -0.506 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 11.344 10.210 -0.130 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 -5.740 -5.179 -2.456 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 -5.347 0.276 6.567 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 -11.440 -12.589 -9.560 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 -2.705 3.179 0.967 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 -5.547 3.921 0.172 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 -1.097 2.229 0.720 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 -5.295 -5.469 -0.303 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 16.034 -6.409 -9.093 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 -10.580 5.808 7.594 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 -6.419 2.465 -1.403 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 3.031 -8.135 1.041 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 -9.108 -13.334 12.738 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 4.345 3.649 3.019 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 11.044 7.391 14.382 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 -6.048 -6.113 -5.596 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 0.751 -1.140 -0.941 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 32.227 -0.735 20.271 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 16.084 -5.435 -6.844 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 7.124 0.960 -7.207 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 7.502 0.877 -7.361 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 4.408 11.904 -9.611 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 1.088 -6.612 6.010 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 10.175 8.484 19.606 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 9.042 -5.575 4.818 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 -1.153 -3.752 2.043 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 7.085 0.805 7.680 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 35.362 5.971 10.193 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 -1.513 1.280 1.170 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 -2.902 -35.461 -11.248 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 21.500 19.221 -2.864 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 -6.651 3.691 7.911 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 4.774 4.357 15.287 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 -0.052 1.035 2.272 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 -4.496 -2.531 6.069 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 -5.586 10.899 -6.722 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 5.256 29.179 -21.258 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 -3.293 1.264 -4.409 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 3.962 -17.683 -15.363 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 -0.383 -10.003 -13.729 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 3.150 0.090 0.814 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 -14.266 13.093 15.007 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 -9.136 -21.918 -5.299 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 -0.171 0.262 -10.194 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 6.706 0.162 6.514 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 -11.999 0.674 -1.833 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 -2.523 0.629 2.401 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 -15.800 -3.436 22.624 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 -25.526 -4.141 -5.572 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 3.252 2.071 8.791 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 11.284 0.439 9.296 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 3.146 -7.542 24.121 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 -5.018 -4.713 0.129 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 -8.587 18.393 6.410 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 7.740 19.465 17.785 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 -3.057 -1.273 1.040 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 3.656 7.326 -21.432 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 18.279 -0.148 2.915 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 2.895 5.852 -4.659 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 5.599 7.722 15.140 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 8.306 15.817 -12.296 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 -4.290 5.463 0.918 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 15.712 5.114 7.418 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 -26.067 -7.192 7.338 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 -3.086 1.279 -3.973 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 -1.864 1.783 -12.046 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 1.002 -0.434 -2.374 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 -1.531 4.582 -1.857 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 3.743 -2.540 -27.693 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 -8.064 -43.193 -19.164 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 -2.210 0.225 0.390 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 11.967 -13.986 -7.561 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 -1.725 -0.013 0.040 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 -0.519 -0.379 1.512 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 8.148 9.364 23.681 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 -5.048 -11.495 -0.592 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 -4.317 -3.246 -6.059 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 -5.882 -6.563 -5.108 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 -6.592 -1.992 -8.249 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 -2.924 -3.013 4.850 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 -1.107 -9.649 14.395 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 4.887 0.655 4.286 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 5.289 5.312 1.292 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 0.812 14.265 4.851 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 1.637 -0.340 7.513 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 -2.930 2.210 0.297 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 -15.435 -14.523 7.832 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 -10.507 22.660 -0.582 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 -3.883 9.293 -5.667 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 -14.238 -0.549 0.251 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 -11.439 -0.913 2.692 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 -1.566 5.032 2.259 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 0.842 -17.493 21.123 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 2.603 -3.029 -11.232 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 2.063 0.797 3.821 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 -3.115 4.939 1.930 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 0.031 -7.559 11.079 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 -2.147 2.252 -4.365 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 1.241 5.512 4.837 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 2.838 8.828 -8.088 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 3.121 -4.074 3.931 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 -0.227 0.862 3.484 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 -15.444 1.865 -3.730 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 -2.233 -3.704 2.778 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 23.690 7.437 5.234 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 -10.927 -11.128 1.661 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 2.444 -0.874 2.493 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 11.095 5.946 -0.726 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 -12.771 1.828 -11.601 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 -0.602 0.153 0.867 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 -6.439 -20.251 -6.492 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 1.137 29.929 21.806 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 0.252 1.225 -4.995 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 3.956 -9.498 -3.687 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 -1.797 18.976 -4.216 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 -5.677 -3.566 -0.362 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 11.607 -9.788 -11.831 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 -13.120 19.205 -6.455 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 -3.526 2.180 5.625 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 5.431 24.553 5.946 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 -19.383 4.334 1.064 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 3.706 1.639 -1.831 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 11.591 19.908 4.076 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 -6.631 13.423 -5.301 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 -2.617 2.143 -6.533 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 4.158 -11.382 -6.763 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 -11.181 16.261 -7.941 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 0.445 8.070 2.308 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 10.921 11.186 10.826 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 -2.514 16.053 -3.752 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 -4.512 0.384 -1.512 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 -16.066 -8.334 1.279 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 8.270 -1.028 -3.176 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 -0.053 1.303 2.400 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 -0.891 6.981 16.303 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 0.015 -0.490 1.802 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 0.627 3.381 5.505 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 32.068 -6.422 5.839 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 -13.113 4.572 -25.169 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 3.366 3.023 -8.110 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 6.814 10.790 -20.712 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 2.638 8.140 8.649 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 -0.988 5.526 -5.274 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 0.965 17.198 -18.163 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 -6.011 -6.544 -14.412 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 -2.908 -3.601 0.329 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 -0.565 -10.341 -8.218 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 6.369 -1.373 4.071 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 -5.354 -10.892 -2.913 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 -1.932 -28.880 -16.002 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 -5.931 5.633 -0.193 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 -1.056 5.869 -3.888 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 -5.345 5.559 -7.224 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 -3.921 10.908 4.054 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 1.936 -4.907 -3.587 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 17.563 -8.175 -5.661 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 -17.934 -1.713 -7.226 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 1.786 -3.828 -3.053 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 -8.041 8.855 -5.588 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 -7.382 9.624 8.472 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 -7.702 1.463 -0.602 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 -20.170 13.250 16.774 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 -12.918 22.342 -6.839 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 1.672 0.701 7.868 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 3.137 2.557 5.297 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 6.904 -1.101 4.461 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 0.637 -6.982 0.063 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 -8.518 -8.712 17.093 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 11.671 37.175 -9.671 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 -2.611 1.026 -2.989 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 -7.699 5.399 0.757 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 -9.156 -26.864 4.061 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 -5.987 5.258 -3.710 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 -10.284 2.180 -17.883 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 -14.370 -7.457 7.831 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 -5.340 2.149 -0.644 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 -15.699 0.175 -4.961 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 5.985 4.949 1.130 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 5.462 5.188 3.534 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 7.358 4.198 -0.435 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 12.987 27.342 9.011 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 7.079 8.980 -5.753 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 7.646 11.903 -12.210 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 19.763 4.686 -10.121 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 -3.382 3.253 -0.014 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 -1.115 15.592 21.452 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 -0.772 3.151 -1.802 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 1.017 2.370 -2.658 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 2.474 2.451 2.634 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 -7.254 1.530 1.168 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 -2.950 -0.238 -4.797 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 -0.993 3.025 -12.853 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 6.964 -6.672 23.574 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 -1.115 -2.915 2.648 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 9.983 -6.981 -15.356 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 -6.611 -0.518 -0.411 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 -0.829 -2.984 4.874 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 6.025 19.108 -2.393 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 -0.101 -2.759 -6.513 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 4.571 -5.936 -1.280 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 -3.729 6.154 -3.522 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 12.279 8.293 -21.356 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 -2.915 -5.274 2.265 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 -3.542 -13.545 0.471 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 -6.200 -16.348 -8.091 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 4.660 2.684 1.977 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 4.897 15.913 1.354 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 -10.302 -1.175 31.081 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 2.698 -0.598 3.817 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 5.817 1.110 -25.250 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 -23.366 11.062 8.337 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 0.434 -4.775 -4.488 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 2.385 -9.039 -0.112 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 -25.330 28.545 -1.588 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 -2.529 8.324 -1.501 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 -14.304 13.123 -13.664 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 -7.588 12.567 8.136 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 -8.317 -6.335 -2.245 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 -11.626 -17.081 -13.513 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 -8.156 -8.598 -2.819 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 0.760 2.438 9.625 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 13.412 11.093 20.348 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 4.783 1.700 -22.350 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 10.039 4.489 -4.589 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 -8.035 2.557 4.549 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 -28.679 -6.520 21.195 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 2.809 1.175 -4.015 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 -10.311 6.043 -4.326 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 3.483 -21.947 13.616 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 2.146 4.044 -3.831 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 0.271 -8.426 1.105 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 -1.157 15.194 -12.152 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 -3.518 3.085 6.561 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 -37.790 9.885 -0.895 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 -2.103 -2.842 0.501 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 0.876 -2.579 6.735 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 -7.262 -5.182 -6.829 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 19.277 -3.249 2.793 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 -5.223 -4.514 4.247 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 2.447 -23.754 13.609 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 8.287 6.509 -2.105 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 -3.559 -3.964 -3.639 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 -9.190 4.131 -0.463 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 -14.098 -9.727 9.516 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 11.779 4.663 -2.443 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 7.071 -13.899 9.280 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 -9.475 16.212 -1.071 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 3.527 1.605 2.663 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 3.868 -1.099 -2.837 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 -1.355 1.396 4.010 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 -3.373 4.032 2.997 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 -7.504 9.084 -5.901 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 7.705 -2.866 10.308 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 2.175 0.851 1.922 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 0.940 7.812 19.886 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 -21.398 -0.826 -6.041 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 -2.556 1.784 -0.636 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 -1.403 0.212 3.549 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 -4.112 9.631 -4.103 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 2.584 -1.843 -0.366 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 -16.193 16.738 0.665 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 21.287 -4.239 -1.290 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 4.548 -3.576 5.338 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 4.348 -2.305 -16.263 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 -10.491 -3.293 1.308 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 1.915 -0.125 -2.455 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 5.192 7.220 10.848 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 16.346 -0.780 -9.229 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 5.252 1.847 -3.438 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 7.959 2.903 -4.051 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 11.386 -6.973 -4.828 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 -4.143 2.131 -2.388 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 7.252 -3.024 17.028 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 -15.553 8.234 -7.093 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 -2.381 3.725 1.854 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 -4.435 -13.506 4.248 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 -4.405 10.494 -6.168 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 -3.025 -1.829 -0.373 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 -6.992 7.559 -1.649 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 5.772 -4.095 -7.763 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 3.160 -0.875 0.556 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 -15.366 27.989 5.072 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 2.112 -21.136 -5.516 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 1.526 6.211 2.869 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 5.816 -6.895 -1.855 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 -5.778 8.147 -5.804 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 3.465 -1.304 -6.506 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 -12.307 -17.793 19.615 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 -12.582 -5.941 -26.108 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 -0.695 2.378 9.589 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 -5.715 2.194 14.126 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 -4.484 24.028 13.535 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 6.319 2.004 -0.640 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 4.787 21.147 26.624 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 -9.127 -7.212 2.302 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 5.733 6.956 -1.519 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 6.637 11.146 5.039 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 7.716 7.555 3.946 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 -2.959 0.590 2.179 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 -8.181 9.824 -6.039 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 -10.463 16.237 -9.874 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 2.256 0.700 7.228 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 6.180 0.074 -0.957 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 -14.219 11.876 -4.270 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 0.189 5.119 -0.842 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 3.501 -2.081 4.467 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 2.439 -11.037 10.875 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 3.248 6.918 7.702 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 -16.282 14.069 -7.586 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 6.313 -15.075 -16.068 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 3.786 1.709 2.488 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 2.638 -6.619 2.410 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 -11.278 6.047 5.827 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 4.844 2.171 -7.610 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 21.082 2.662 -6.173 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 6.833 11.953 -9.417 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 2.831 -2.069 -6.389 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 20.656 10.354 10.198 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 3.619 -9.787 -3.123 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 4.105 0.716 2.038 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 0.966 2.318 10.104 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 0.870 -12.655 6.165 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 -3.293 -0.068 2.816 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 -7.438 0.959 21.989 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 1.182 -6.027 1.069 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 -1.608 3.062 2.087 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 0.659 -19.302 15.913 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 -2.585 11.877 -3.049 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 0.243 -5.907 -2.330 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 0.068 -20.027 4.090 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 -7.079 2.678 3.937 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 -0.152 -3.643 0.889 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 -0.790 -5.506 -2.199 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 6.605 0.299 11.686 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 -9.015 -9.990 0.652 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 -12.600 4.557 26.711 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 -35.417 8.275 -7.554 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 1.144 -1.620 -6.417 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 -1.354 -9.138 -34.592 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 -6.546 -2.630 -13.246 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 -0.396 2.023 -3.434 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 8.121 -24.527 13.366 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 5.919 -2.371 -1.303 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 -2.709 -1.694 -6.077 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 1.998 -17.009 -2.001 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 19.145 -15.635 24.972 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 1.498 2.759 -8.564 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 18.690 -13.785 -4.716 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 -26.343 -1.082 -15.965 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 -1.756 0.990 6.299 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 -0.330 -0.894 23.287 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 -10.763 -15.144 -1.306 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 -0.161 0.427 -0.160 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 2.517 -12.146 -4.562 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 6.074 -4.235 -22.145 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 -4.882 -2.574 -1.551 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 -6.267 -2.583 -1.412 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 14.742 -3.768 -0.255 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 -8.314 2.606 -2.553 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 -6.250 10.956 -19.122 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 -10.397 14.280 13.067 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 1.186 -1.372 -0.316 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 3.893 3.170 -5.421 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 -8.799 0.874 18.336 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 -0.945 -0.371 -3.837 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 5.501 -10.127 -5.699 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 4.619 4.330 7.165 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 8.187 -0.754 0.043 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 10.385 -10.313 -19.818 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 -9.251 -3.855 6.468 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 -2.795 5.770 -0.059 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 4.374 -1.860 14.378 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 17.415 19.820 -15.809 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 -1.526 1.853 2.200 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 12.123 4.319 -5.533 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 -9.457 2.861 11.029 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 -6.002 -2.657 -2.856 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 10.065 -9.423 -4.826 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 6.490 -11.517 10.346 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 -6.027 -2.017 -3.610 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 18.614 20.955 -6.431 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 -0.687 5.049 -1.818 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 2.475 -4.440 -3.110 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 -5.677 7.271 11.211 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 -0.677 0.409 15.020 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 -5.585 3.348 3.851 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 2.792 -3.197 -6.163 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 -10.436 -5.637 -17.374 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 1.631 -4.713 -1.499 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 -5.627 0.202 -2.051 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 -2.618 -9.553 7.821 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 3.327 0.091 -1.634 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 13.330 -29.730 13.654 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 5.755 9.626 -1.721 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 0.798 -2.646 0.882 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 -0.936 -2.876 0.527 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 1.267 -3.770 2.261 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 -2.524 -2.178 1.759 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 9.296 15.243 14.936 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 -3.796 -3.596 -9.335 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 1.943 3.139 -3.123 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 6.764 3.693 -5.601 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 -6.673 3.100 0.681 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 -4.325 -2.183 -4.550 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 -15.058 -20.977 -4.731 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 9.044 12.691 -8.003 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 6.617 7.061 0.888 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 22.164 20.564 -10.485 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 5.042 3.181 -14.055 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 0.767 0.273 8.676 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 0.906 3.853 7.403 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 14.597 8.078 3.424 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 1.804 6.390 2.167 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 -33.087 37.230 27.470 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 15.182 -11.780 10.962 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 -2.253 -4.860 2.775 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 -17.811 -14.128 0.671 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 -0.424 -4.534 2.965 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 3.484 4.217 -10.360 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 -1.283 12.080 7.801 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 -13.559 28.677 -15.577 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 4.664 6.438 -2.467 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 21.718 2.956 7.200 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 2.407 4.450 -13.948 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 0.774 -0.029 0.759 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 -2.130 1.822 -1.383 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 -0.792 0.849 6.926 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 0.357 -0.867 4.577 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 3.823 9.074 6.111 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 0.583 -4.291 5.872 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 1.126 -0.765 1.101 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 -13.138 12.051 -19.605 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 1.935 -0.261 -20.266 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 -2.507 -2.718 0.387 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 1.265 8.478 16.445 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 -18.325 -3.333 -7.666 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 1.950 -1.256 2.152 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 14.808 -8.454 -7.733 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 -5.621 -6.167 14.427 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 5.290 -2.770 0.940 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 -1.593 -17.951 -0.116 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 -25.833 -42.842 0.064 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 -8.500 5.749 -1.562 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 4.427 -2.959 -0.001 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 11.706 -17.126 -3.667 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 0.761 6.844 -2.767 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 2.857 13.041 -13.315 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 0.703 -2.885 -8.185 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 1.515 -7.210 -3.080 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 15.229 1.961 -30.832 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 -7.347 -9.406 10.175 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 3.844 0.398 7.395 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 -24.162 -14.202 16.444 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 17.426 12.801 -13.476 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 -0.176 -2.446 -2.345 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 4.453 6.126 -42.668 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 0.775 -3.419 -10.132 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 -8.302 4.477 -0.275 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 1.884 -12.055 10.269 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 -12.779 12.521 -5.943 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 -2.903 9.342 1.665 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 -4.303 19.272 8.913 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 6.822 10.986 5.577 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 0.728 -2.728 4.177 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 4.811 -13.308 4.732 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 -1.950 7.987 2.143 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 2.776 6.002 3.124 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 2.345 -8.404 5.568 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 -7.958 17.669 -9.736 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 4.516 1.456 -7.753 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 2.012 -5.464 -7.242 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 6.174 0.792 -14.954 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 -9.102 3.702 -0.894 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 -2.413 12.628 4.278 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 -8.895 4.315 -2.864 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 3.110 -0.690 -4.681 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 11.387 12.605 2.162 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 0.816 -10.920 -12.493 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 6.062 0.001 -5.384 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 12.890 15.380 12.177 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 16.220 6.649 -24.683 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 -3.940 4.786 0.891 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 -13.108 -5.122 28.185 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 7.330 20.031 -11.952 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 -0.198 -4.103 -1.535 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 6.196 -7.019 21.992 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 -3.147 -12.615 8.110 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 -5.174 -0.751 2.222 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 -1.218 -14.654 -1.036 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 -0.387 -5.517 -13.411 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 -4.521 -5.358 0.406 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 -11.014 -24.364 -6.127 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 4.543 -39.646 -17.791 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 7.893 -3.503 0.382 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 7.590 -5.531 0.221 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 3.359 -2.692 -0.816 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 1.955 1.568 0.258 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 2.583 2.119 -17.839 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 -11.650 -3.272 2.132 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 1.168 -6.219 0.192 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 0.110 -6.323 -10.585 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 6.814 -3.034 -3.465 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 -2.315 -2.878 0.731 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 -1.311 1.546 -9.092 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 -2.398 -3.033 4.753 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 5.647 8.444 0.012 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 4.068 9.548 -5.852 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 0.917 9.693 3.277 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 7.470 6.802 -6.844 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 -7.397 9.077 2.338 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 -25.683 -0.983 -1.592 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 -2.493 2.556 3.090 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 2.031 -4.454 -4.770 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 2.325 0.487 -10.593 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 -6.402 2.429 4.407 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 -23.457 -7.349 -6.097 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 4.973 -4.102 -3.222 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 7.598 -1.742 2.909 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 -12.931 -2.113 -42.224 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 -20.473 -1.901 -23.103 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 0.351 8.267 -1.840 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 0.424 7.801 2.077 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 -7.049 -8.420 -1.402 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 -11.404 2.271 6.180 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 -6.347 -13.843 9.585 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 -2.846 -14.664 -5.072 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 -3.633 5.273 -3.662 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 4.833 -6.394 3.405 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 0.282 4.855 -12.809 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 6.077 -3.815 1.178 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 4.504 4.583 -2.210 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 -31.484 -0.044 -19.475 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 -2.634 -1.437 -3.923 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 -8.891 -9.528 5.269 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 -6.044 -7.359 -19.592 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 -0.014 -1.099 11.648 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 2.479 -6.888 4.847 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 -13.602 2.705 7.895 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 -0.037 2.934 0.930 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 13.093 12.456 -2.178 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 19.867 8.092 -29.359 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 -2.858 1.132 -4.415 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 -2.537 21.511 0.747 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 -4.814 -13.562 -7.260 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 4.189 -0.935 2.354 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 13.447 -10.642 -8.587 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 3.725 -17.623 16.843 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 5.102 1.820 -6.842 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 9.000 5.078 -10.099 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 -11.840 -6.640 16.482 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 0.014 3.586 -9.070 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 -5.363 11.463 -2.864 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 12.733 7.714 -5.248 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 -2.566 -0.323 5.439 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 3.145 -3.877 8.928 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 -5.650 -3.174 -2.826 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 -4.210 -7.366 3.070 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 -0.276 -10.463 -0.380 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 -9.916 2.316 7.573 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 3.149 2.470 0.543 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 14.165 0.353 -1.256 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 -31.057 1.150 21.233 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 -7.413 -3.241 1.079 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 -3.841 -5.152 1.961 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 -3.474 10.046 -13.708 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 1.737 0.900 -1.825 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 -1.027 0.997 -3.635 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 30.331 -1.943 -15.572 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 5.525 4.087 -2.692 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 -18.295 42.754 -11.334 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 12.181 2.029 -20.480 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 4.141 0.117 2.463 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 10.217 24.248 -0.279 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 -14.535 -5.620 -4.161 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 0.053 -2.075 -5.514 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 2.116 -22.265 2.329 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 -1.808 6.822 -7.149 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 -1.014 0.849 -1.064 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 4.359 2.693 0.386 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 10.509 2.379 36.501 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 -1.002 0.604 -0.930 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 -3.447 20.781 -1.716 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 -4.314 24.261 -1.845 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 3.154 1.800 1.638 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 4.425 6.073 -6.466 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 19.578 -11.701 -1.064 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 -7.074 -5.982 -2.739 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 -18.929 16.234 -1.500 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 -11.683 -17.888 -2.061 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 -1.189 3.238 3.214 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 1.888 0.309 -2.778 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 -13.249 -1.253 -5.903 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 -2.969 -2.061 6.029 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 -25.741 -2.260 -4.710 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 2.650 1.036 -7.378 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 -6.998 -2.062 5.596 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 1.563 -3.595 4.606 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 10.159 3.699 -6.258 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 -5.357 -5.434 -0.727 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 -1.130 -10.797 -1.029 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 -18.342 5.888 5.794 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 2.345 -0.465 -7.804 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 -21.753 -27.600 1.379 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 -3.072 -11.775 -8.527 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 -1.094 2.731 2.010 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 12.139 17.521 1.853 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 -9.488 -9.922 2.230 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 1.292 -11.297 -6.036 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 10.093 -23.537 -21.366 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 16.409 -7.385 12.722 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 6.826 -4.933 -0.534 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 5.906 -1.984 4.725 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 -5.326 10.129 8.917 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 -2.459 -6.362 1.132 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 -6.090 -12.774 -13.474 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 -1.245 9.531 -0.870 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 -1.999 -4.133 2.848 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 0.342 3.359 -0.497 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 11.504 -16.809 -0.885 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 -2.412 -4.890 -2.486 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 -15.084 -9.031 5.728 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 7.204 -8.714 -5.302 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 0.348 4.435 -10.367 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 12.255 -12.987 19.127 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 30.978 4.128 -2.544 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 -3.376 3.328 -12.118 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 -8.518 4.051 5.333 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 -13.314 5.567 -4.798 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 -1.273 4.447 2.644 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 -4.494 19.321 1.366 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 -14.611 -2.273 9.013 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 0.771 1.000 -2.091 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 -7.019 0.932 -6.819 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 -2.631 -0.720 5.955 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 -7.984 -1.850 -4.280 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 -4.495 -4.373 -1.438 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 -12.741 -1.947 -10.429 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 4.277 0.144 -4.894 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 26.392 -7.134 -18.372 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 -18.315 8.901 4.042 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 0.109 -2.579 -4.801 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 3.127 3.784 23.682 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 29.495 -14.704 -9.537 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 0.384 -2.222 1.263 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 24.883 19.237 -21.292 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 1.930 -17.089 -15.704 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 -4.800 -1.306 -1.840 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 9.846 -17.265 7.670 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 3.336 0.733 17.323 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 -3.926 1.549 -10.068 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 -11.423 -9.801 -4.110 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 -6.724 -9.750 -3.723 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 5.806 -4.550 -4.517 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 0.935 -3.400 -3.458 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 15.892 -0.817 6.251 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 -1.754 -4.651 -2.600 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 -2.664 -2.677 -3.040 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 -2.041 -6.449 -2.836 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 2.609 5.855 -5.001 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 -13.906 4.764 -9.548 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 15.092 5.240 -15.099 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 -4.277 7.936 4.690 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 -4.998 -2.198 -12.250 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 14.317 20.475 9.187 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 1.720 -6.941 -2.033 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 -11.764 3.152 11.684 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 25.561 -34.143 -29.546 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 4.750 8.586 -7.800 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 6.244 -9.162 -10.859 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 3.651 5.135 13.270 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 2.817 -11.365 5.333 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 -4.867 15.202 -17.664 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 16.580 -6.936 -8.626 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 2.710 2.357 4.091 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 13.302 -12.864 -2.141 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 -9.341 -7.938 3.854 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 1.977 -7.989 -5.477 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 -9.170 -6.895 -19.195 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 4.930 8.920 -2.840 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 5.618 -0.883 3.099 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 17.651 17.528 -13.836 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 -10.348 9.699 -10.697 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 -4.457 2.158 -0.836 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 -2.784 -7.202 2.289 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 -4.504 -11.979 8.550 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 0.467 1.332 -3.127 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 17.204 -5.166 24.496 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 7.518 6.765 -7.413 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 0.489 4.011 -3.059 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 -2.752 12.122 -2.141 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 0.443 9.008 8.010 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 -2.951 3.653 0.737 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 -7.425 11.005 5.354 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 -1.247 0.389 -2.646 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 0.262 1.358 0.894 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 -11.867 0.970 16.436 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 3.522 12.115 -10.203 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 -2.670 -0.092 1.910 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 26.644 7.379 -1.535 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 8.898 3.764 -2.288 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 -4.726 2.693 -0.360 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 -15.059 -8.831 -6.559 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 -18.271 -14.671 -7.457 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 8.489 -5.773 -5.142 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 3.332 18.277 -7.845 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 -2.833 -15.751 -19.640 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 4.820 0.677 -3.559 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 -0.734 -6.402 -8.008 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 5.171 -37.011 10.460 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 -5.320 2.306 -0.213 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 -23.167 -20.501 14.714 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 -13.176 -14.018 7.392 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 2.323 5.552 -2.474 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 25.402 6.851 14.838 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 -9.811 6.102 -8.010 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 1.293 -2.786 -5.448 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 -19.316 -4.411 -14.954 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 6.041 -10.034 -8.122 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 -9.749 -3.260 -7.926 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 -4.516 0.588 -10.026 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 -11.699 -18.409 -14.972 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 -8.385 3.497 1.076 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 -5.791 0.449 0.128 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 -12.677 9.255 3.774 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 4.337 6.348 -3.728 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 19.815 -8.248 11.794 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 -7.968 -0.050 13.352 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 4.349 6.676 -0.279 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 12.683 10.534 -1.123 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 3.766 13.476 -2.384 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 3.562 11.592 -5.591 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 22.640 10.538 -16.867 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 -36.081 -9.680 6.163 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 3.858 8.221 1.270 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 13.479 -4.933 18.582 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 6.269 -8.218 8.080 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 0.986 1.755 -6.487 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 -38.974 20.280 15.573 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 3.902 -12.061 -5.065 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 -3.532 1.140 -2.331 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 -5.698 -11.148 -8.709 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 -3.399 7.880 -7.799 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 4.944 0.508 -3.065 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 13.074 16.242 13.843 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 4.167 2.287 -1.691 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 1.466 4.149 -6.598 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 2.940 10.432 -21.467 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 0.519 -0.955 4.024 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 -3.902 0.829 1.738 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 -24.052 8.546 -6.131 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 -16.214 10.892 -20.619 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 -3.710 0.982 -3.293 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 -5.053 -4.943 -2.404 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 -6.060 -22.173 4.492 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 -3.265 3.797 -6.340 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 -22.577 3.549 -0.790 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 8.743 25.415 9.515 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 -3.783 -1.933 6.545 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 -8.742 -10.692 -0.646 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 -4.475 -5.865 17.294 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 -0.244 2.023 3.482 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 -6.450 -0.090 -9.191 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 6.249 4.351 18.422 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 0.192 -3.571 -4.004 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 16.534 -18.355 -25.567 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 -3.219 -4.835 1.286 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 14.183 -4.074 -2.284 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 20.930 5.388 3.881 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 7.000 -13.589 -10.708 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 -5.626 1.820 3.637 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 -9.447 9.228 12.047 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 -1.346 -7.472 -6.999 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 -5.212 1.322 -5.362 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 -12.866 -14.693 -2.302 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 3.621 1.168 -29.630 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 -3.810 -1.845 -3.907 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 0.136 -3.336 -3.110 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 -9.765 -7.051 -10.580 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 -0.676 6.253 -8.914 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 -11.496 -26.775 -17.407 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 -11.671 -4.644 -12.506 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 -2.777 3.281 -2.777 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 -11.059 2.576 -0.445 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 3.835 17.762 1.783 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 0.435 -1.789 -4.476 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 8.931 6.444 -3.959 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 -17.548 -16.268 -3.118 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 1.857 -3.954 3.901 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 -5.098 4.936 -12.616 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 -10.462 12.141 -26.646 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 6.197 1.410 4.393 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 -21.230 -21.012 5.204 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 -9.232 -18.299 8.758 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 -4.863 -10.216 -3.058 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 -2.661 1.322 7.249 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 -2.259 0.247 -19.108 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 -0.276 0.409 -2.678 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 0.605 -5.062 8.036 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 -16.956 3.631 5.907 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 -1.210 -3.633 -1.041 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 16.219 -4.862 22.762 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 4.702 -35.348 -24.423 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 -2.822 -2.409 3.173 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 -1.754 6.878 19.202 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 2.231 1.567 16.723 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 -3.310 -0.729 -0.579 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 -7.696 0.543 1.597 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 -0.540 -2.502 -2.548 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 -0.130 -8.916 3.883 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 9.961 -20.022 -1.802 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 -4.154 -6.379 1.288 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 0.113 4.727 -9.656 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 22.753 0.715 -14.232 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 -13.952 1.615 -19.998 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 -3.427 2.764 0.822 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 -16.918 16.743 -7.430 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 -3.780 5.394 -9.864 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 6.806 -4.202 2.788 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 -2.003 1.756 -3.221 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 -3.250 -4.534 -8.652 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 3.669 4.116 3.812 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 -1.216 -9.116 3.417 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 -2.732 -5.038 -0.634 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 -3.574 -1.981 0.138 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 -4.741 14.845 7.108 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 -0.614 -0.988 6.099 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 0.385 5.590 5.857 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 10.531 2.022 -10.162 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 10.846 6.320 26.601 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 2.009 6.318 3.202 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 11.561 -6.650 1.352 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 14.673 -12.582 2.582 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 -4.885 0.119 -2.908 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 -2.156 -10.672 15.562 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 4.372 5.472 8.399 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 3.290 -4.927 -1.851 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 -5.096 -7.596 7.937 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 -9.674 -11.004 -5.826 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 0.154 -1.208 2.393 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 -8.199 3.367 5.931 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 2.025 -5.627 1.343 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 6.530 -0.016 -0.945 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 -0.888 9.189 -6.879 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 -13.174 -1.086 0.578 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 -3.334 4.679 1.943 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 16.937 -6.825 21.952 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 -3.250 2.023 -3.934 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 -0.455 2.066 8.327 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 -19.075 -23.411 1.896 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 21.320 9.120 -20.224 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 2.513 5.763 -4.539 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 32.696 1.018 -30.672 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 -3.899 0.334 2.685 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 -3.537 4.817 5.353 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 -1.660 3.238 6.678 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 -8.808 3.487 -13.735 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 -0.122 -2.679 4.830 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 26.333 17.459 5.953 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 22.732 -2.732 -8.546 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 2.858 -4.462 2.713 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 1.955 14.945 5.896 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 3.796 -14.277 4.028 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 3.823 -2.755 -2.065 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 7.811 -24.101 25.705 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 -19.953 -28.670 -4.232 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 8.982 -5.326 -1.362 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 -2.658 -6.315 9.888 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 39.225 -4.439 -14.656 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 -2.094 -0.570 2.937 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 -8.417 -1.561 -28.024 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 1.068 8.858 0.865 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 0.750 2.491 -1.678 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 -6.252 9.282 -1.732 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 11.992 -8.365 -2.822 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 -1.422 3.531 3.864 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 2.956 9.345 18.538 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 24.312 2.665 14.471 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 -1.601 -1.011 1.833 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 0.106 -8.293 16.816 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 0.337 0.403 1.181 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 3.306 -1.620 1.435 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 4.184 -6.352 -0.737 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 9.083 -8.796 2.556 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 -3.036 0.910 7.177 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 -8.638 4.387 -11.907 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 -11.797 -19.411 -2.936 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 5.099 7.506 0.926 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 4.892 7.394 2.814 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 10.264 4.010 -17.397 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 -2.593 0.042 -2.911 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 1.986 -7.081 39.140 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 -0.478 -7.742 32.252 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 3.356 4.208 -1.191 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 0.031 10.709 -8.908 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 -6.014 -7.108 0.562 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 -2.953 -4.613 -1.660 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 -6.585 3.577 -4.054 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 8.343 -15.338 17.101 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 -2.121 0.814 -0.182 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 0.583 0.693 4.730 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 1.216 -1.805 7.890 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 -4.509 1.852 -2.663 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 14.562 -6.592 -4.236 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 -0.946 -1.313 10.100 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 -3.649 1.041 -0.823 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 -10.856 11.577 -2.485 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 -12.751 9.330 -0.682 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 3.476 0.112 1.629 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 15.533 4.427 31.592 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 12.774 -10.568 2.742 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 2.361 -0.523 -4.053 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 8.098 9.013 -3.823 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 2.675 4.906 -10.034 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 0.213 -1.264 -1.030 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 -15.290 -1.858 1.689 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 13.997 -5.765 -11.600 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 5.367 1.175 1.337 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 5.918 -5.384 -4.516 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 -2.084 -2.007 1.908 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 5.797 -2.507 2.348 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 -4.910 -17.445 -18.746 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 -7.946 -11.644 -15.259 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 -2.593 -4.108 -8.655 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 -4.663 -5.437 -6.555 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 -4.587 13.340 -15.806 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 5.594 3.543 4.286 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 -0.504 4.427 -3.071 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 1.637 -3.884 7.220 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 2.903 -0.843 -0.378 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 16.715 3.419 -1.726 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 18.052 15.733 13.186 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 -0.577 0.134 -2.962 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 -5.634 -13.278 -18.377 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 0.032 8.342 8.574 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 0.418 0.148 -1.114 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 9.342 -0.727 -0.155 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 -34.735 -18.645 -14.919 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 3.212 -0.102 -3.298 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 3.863 -6.295 0.334 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 10.526 2.249 17.715 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 -3.507 -1.768 0.322 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 7.144 0.567 12.776 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 11.804 -1.914 19.037 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 -0.311 -4.657 2.700 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 6.027 -8.979 -3.658 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 -6.767 1.581 7.727 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 -2.684 3.768 5.151 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 -5.443 -5.186 -0.170 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 -0.502 8.293 7.383 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 3.316 -3.921 12.928 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 2.957 1.471 10.871 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 15.478 -2.009 13.448 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 -1.812 -6.646 -8.370 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 -15.766 -29.770 0.522 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 -4.676 -0.482 14.779 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 7.153 -0.477 -7.251 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 2.466 -8.098 20.888 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 20.167 3.929 -22.055 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 3.404 -0.984 0.793 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 -10.861 -17.137 25.531 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 -23.324 -7.641 16.300 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 -4.226 -2.152 -4.809 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 -4.804 -2.385 -5.863 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 -7.601 1.422 -12.840 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 2.500 4.801 1.667 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 -2.645 0.448 1.612 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 9.081 1.877 3.372 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 0.989 -0.690 -3.108 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 5.177 -3.432 -7.118 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 18.386 25.241 -28.043 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 -0.190 -1.500 -2.841 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 14.657 10.074 13.297 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 21.922 14.164 18.298 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 -9.086 -3.167 -2.222 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 -37.661 -0.693 18.125 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 18.969 15.201 7.154 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 0.569 -1.887 -5.178 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 11.629 2.278 4.269 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 3.683 1.692 -6.324 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 -2.657 -1.009 5.225 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 -3.133 6.038 9.014 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 2.054 2.323 -3.411 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 -9.901 6.495 -5.319 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 8.249 2.873 -5.055 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 2.821 12.971 -15.036 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 3.642 4.563 1.295 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 -10.952 3.389 3.415 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 -2.552 0.239 7.074 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 -0.862 -4.064 -7.223 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 12.414 -8.284 14.644 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 -17.764 3.484 -5.395 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 3.259 0.312 1.098 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 9.219 29.093 -18.997 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 10.127 45.195 -5.786 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 5.432 -5.566 9.185 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 20.080 16.081 -11.931 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 -2.424 -2.625 -4.999 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 4.843 1.436 -3.254 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 6.758 -0.239 -1.237 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 13.825 9.751 2.379 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 1.879 -2.086 -1.355 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 -4.447 -0.828 -4.089 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 0.849 16.205 -8.505 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 2.373 -2.437 -0.917 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 2.799 -17.070 0.053 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 -0.733 -10.126 11.833 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 -1.590 -3.008 1.761 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 4.025 -11.410 5.562 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 6.497 -7.196 18.166 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 3.502 -4.342 1.889 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 24.921 3.206 -17.344 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 -8.190 20.364 3.875 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 -1.309 8.477 -2.995 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 3.216 -0.326 -5.890 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 7.905 5.734 -6.587 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 0.050 -0.766 -1.042 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 6.509 12.397 -2.031 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 -3.039 -5.937 -0.855 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 4.761 -9.310 -2.251 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 -10.238 -7.231 -9.844 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 1.618 1.606 2.730 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 0.766 -1.581 -5.658 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 6.484 8.853 -15.133 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 -6.671 4.387 -3.839 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 2.220 -3.590 -2.496 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 4.876 -19.954 -24.303 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 -14.550 -22.491 13.691 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 1.880 -4.805 -6.878 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 -20.462 -1.743 -6.720 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 7.102 24.183 -13.783 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 -4.034 -5.620 0.833 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 10.567 -15.383 17.096 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 17.651 5.561 2.555 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 2.620 -5.885 -2.694 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 6.413 -12.537 0.604 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 14.200 -1.787 -13.121 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 -2.500 6.545 0.691 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 4.565 -8.135 1.917 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 -23.740 3.346 16.242 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 -8.224 -1.327 5.229 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 8.569 15.589 8.377 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 -5.295 -10.203 -1.085 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 1.264 7.830 -3.309 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 13.043 8.419 -15.397 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 15.455 -0.978 5.353 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 11.371 0.827 -3.562 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 -0.120 -12.148 1.842 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 -6.408 4.854 -20.085 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 -5.207 6.201 -2.647 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 -4.219 4.243 -9.730 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 -7.924 0.671 0.119 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 -3.829 -4.719 -2.966 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 11.770 -11.445 -8.137 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 -26.177 -19.471 -12.557 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 -3.665 0.810 3.800 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 3.734 -6.214 -1.575 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 -9.381 -2.463 14.113 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 -3.686 2.782 2.505 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 0.747 2.199 -13.080 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 3.897 15.041 7.721 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 -2.166 9.637 -4.116 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 -1.347 -18.928 20.723 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 -10.508 -1.463 2.064 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 0.170 -0.393 -0.322 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 3.199 3.641 -1.975 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 -23.785 -4.898 4.471 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 -6.797 -0.782 -8.268 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 9.280 -0.242 -4.050 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 -14.435 5.416 3.799 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 -0.373 -3.310 -1.030 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 2.583 21.397 -15.896 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 6.095 -16.659 -11.031 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 0.647 2.630 -4.889 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 34.935 -11.782 20.606 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 -11.517 -18.709 -13.718 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 8.251 -1.609 -1.727 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 -12.425 -14.876 -22.668 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 2.573 -2.615 -3.120 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 -0.691 0.906 3.438 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 -1.349 2.709 -5.919 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 9.220 -4.181 4.739 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 -2.372 -4.487 -1.579 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 -9.657 17.216 -28.799 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 -22.300 -12.558 -2.690 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 -0.996 4.528 -5.230 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 -6.558 0.739 -8.244 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 -8.197 -3.470 -20.197 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 6.455 0.884 -2.412 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 22.367 -9.226 -0.065 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 -8.613 31.271 -4.581 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 -0.681 10.098 -3.462 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 0.510 21.512 -4.520 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 -8.968 -0.051 -14.728 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 0.906 -4.986 4.922 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 5.364 -5.389 0.840 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 -2.165 -6.376 6.459 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 -1.484 3.367 -2.342 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 18.277 2.360 13.990 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 -9.576 2.294 -1.183 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 1.300 -2.939 -5.624 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 -14.217 -12.832 11.401 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 5.788 0.373 -10.708 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 -1.437 -1.582 1.904 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 14.465 -1.864 -11.216 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 -5.291 9.650 4.497 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 -1.180 -5.471 -2.926 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 8.445 -11.932 -18.856 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 -8.069 -2.411 1.516 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 -2.275 6.339 4.631 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 -10.116 -1.334 12.310 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 -6.474 -15.538 -26.819 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 1.068 1.049 3.960 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 -20.104 -9.607 2.822 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 13.383 -18.267 -1.530 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 3.282 6.000 4.576 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 25.488 -7.541 27.006 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 -16.538 2.558 -15.128 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 -2.057 4.201 -4.775 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 -0.368 0.111 -1.575 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 -8.178 15.310 -5.565 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 -6.235 -1.562 -0.854 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 -11.175 8.722 -0.482 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 -30.384 -15.270 15.777 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 -5.539 0.952 -1.184 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 10.794 -27.076 -13.358 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 -2.182 -9.540 -17.487 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 2.157 6.853 -6.361 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 16.713 8.318 -0.469 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 -23.163 -8.140 18.109 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 3.373 -1.097 -7.740 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 -7.017 7.983 -8.795 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 7.354 12.079 0.131 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 -2.530 -1.398 1.289 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 11.871 -17.467 -12.111 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 2.327 -15.726 -6.585 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 -2.165 2.748 1.956 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 3.367 6.629 -6.625 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 -17.004 -7.184 3.396 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 -7.379 -0.424 -3.112 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 15.882 -11.690 -17.760 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 -11.193 -6.688 9.218 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 -8.186 -3.611 -11.109 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 -4.422 -3.866 -1.546 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 -14.568 -9.053 -7.238 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 1.368 -0.075 -4.521 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 4.244 -5.058 -0.090 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 -8.989 12.766 -14.004 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 4.450 -0.591 0.640 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 -12.815 -0.548 18.633 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 9.775 22.255 -9.700 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 5.092 5.556 7.540 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 11.587 7.910 7.187 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 33.646 0.895 -4.077 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 2.808 -4.941 -0.899 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 3.108 -10.305 1.615 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 -0.848 1.159 -3.801 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 7.345 -2.042 2.597 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 13.747 5.219 3.296 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 -3.298 -1.830 3.550 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 -1.333 3.411 -1.664 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 -15.932 -18.197 -4.129 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 -12.323 -3.406 -8.541 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 13.405 10.099 6.258 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 3.966 24.486 -1.847 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 12.371 4.638 8.480 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 4.651 0.497 6.135 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 30.060 -8.990 -7.657 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 19.946 4.308 1.708 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 5.226 -0.738 -0.671 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 -2.112 1.796 -6.399 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 18.558 4.347 7.469 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 3.334 -1.534 -1.183 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 -3.599 8.357 23.096 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 -0.507 -27.480 0.605 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 -1.943 -4.071 2.180 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 6.070 20.817 -17.662 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 -6.142 -33.961 30.868 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 8.807 -3.049 -3.992 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 -0.332 -17.403 -12.546 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 3.283 -11.592 -1.774 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 1.332 6.640 -0.597 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 -10.177 -0.448 18.448 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 -11.930 -8.975 -29.542 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 2.671 0.936 5.606 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 -0.154 3.909 5.686 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 3.375 9.574 0.850 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 6.210 -0.877 2.230 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 2.206 -10.372 8.757 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 -3.382 0.875 -5.784 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 0.060 -0.857 0.734 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 6.147 -0.409 -0.485 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 -9.624 -13.926 -3.345 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 5.262 -0.863 4.934 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 -2.627 16.753 -2.080 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 -6.386 -23.887 -25.626 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 5.310 -0.799 5.411 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 0.357 7.857 -11.872 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 12.215 16.400 17.303 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 -0.517 -0.950 2.116 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 -26.573 -6.529 6.034 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 26.533 48.991 -14.680 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 1.926 2.830 0.418 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 -12.803 -7.035 -7.350 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 17.742 11.741 -16.918 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 0.323 6.424 -1.241 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 -0.565 -0.522 -4.470 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 -5.404 -6.177 -19.803 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 2.048 3.265 -2.062 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 -13.418 -12.006 21.687 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 -3.423 -2.849 9.864 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 7.112 -3.317 1.358 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 1.980 -2.288 -4.066 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 4.076 -2.757 -1.902 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 -2.159 -1.725 -4.370 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 -13.525 -4.877 0.726 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 -8.573 -14.901 3.131 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 1.186 7.453 2.517 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 -7.592 21.914 -12.215 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 -1.027 8.053 1.924 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 -1.163 2.789 -0.779 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 -11.033 2.649 -0.083 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 -0.334 6.566 -10.454 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 0.413 -1.371 -7.099 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 -1.642 -24.105 -22.375 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 -14.546 -24.034 11.884 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 -0.036 -3.244 -1.462 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 0.702 -5.941 4.125 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 -1.511 4.330 -6.314 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 8.390 -1.909 -0.925 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 12.665 -3.532 -20.263 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 4.621 -9.175 4.405 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 0.312 2.044 -5.389 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 6.021 -10.858 -11.402 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 -21.068 -11.371 -3.216 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 3.681 3.492 3.038 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 -18.889 2.630 -15.327 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 5.887 10.002 -18.961 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 -3.331 -1.122 6.668 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 -11.288 -2.799 -4.819 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 0.749 8.619 -11.668 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 4.697 3.412 -0.812 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 -0.701 -1.742 -4.734 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 -0.514 -9.639 -8.678 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 -1.714 -4.424 -4.969 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 8.406 -2.795 -24.772 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 2.115 -14.245 -3.651 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 -1.705 -3.863 -2.112 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 -0.936 -6.043 -2.111 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 3.922 -0.126 -3.450 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 -3.859 2.815 0.611 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 -9.365 8.844 6.907 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 -25.802 30.103 -12.673 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 0.464 0.326 1.350 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 -3.386 2.518 -1.018 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 1.095 0.951 -1.431 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 -4.308 2.347 1.790 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 -4.290 -4.485 8.497 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 -11.427 6.646 -18.521 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 -0.699 -6.271 -0.213 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 6.412 -11.212 10.185 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 -8.415 -5.141 6.169 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 3.130 -4.471 -4.568 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 24.064 -1.245 -7.626 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 -0.458 -19.759 -23.314 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 -4.121 -7.175 3.183 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 9.839 3.910 21.469 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 8.862 -3.167 3.497 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 -6.980 -0.518 0.552 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 2.239 1.450 -13.438 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 -11.731 -10.284 6.773 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 6.126 -1.324 -5.104 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 1.349 5.697 6.792 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 28.416 6.306 11.349 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 0.051 -1.081 1.402 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 2.973 2.598 -3.179 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 -0.008 -3.677 -0.428 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 2.443 -1.366 6.792 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 -0.607 -1.342 13.119 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 4.249 -6.843 8.467 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 3.029 2.126 0.064 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 10.490 39.317 23.343 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 4.286 -8.931 -9.173 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 -4.034 0.780 -8.597 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 -3.280 -12.966 0.016 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 -2.867 -10.563 2.378 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 1.475 -1.726 3.918 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 -0.845 -2.685 7.757 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 -1.663 -5.662 3.387 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 0.592 2.597 6.921 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 -19.730 -5.597 8.183 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 25.028 -19.018 11.035 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 -1.889 5.689 -0.428 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 -10.092 17.517 8.399 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 -21.200 -20.532 -22.089 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 11.047 0.255 -5.120 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 25.966 -0.450 -0.822 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 9.787 2.544 -4.728 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 -2.763 0.887 -3.848 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 2.660 -12.761 3.913 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 -2.378 9.342 5.961 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 3.275 -5.291 -8.004 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 -7.273 25.038 -19.497 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 -16.181 -4.659 -7.890 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 -1.609 -4.204 7.304 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 -22.598 -6.373 -0.304 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 21.471 1.485 0.905 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 5.440 2.647 -1.226 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 2.056 12.836 -16.960 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 21.404 24.396 -4.250 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 7.785 -3.220 -6.833 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 -2.213 -13.861 3.066 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 8.826 9.644 -2.125 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 0.073 -8.073 -1.135 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 -12.387 -15.871 -9.085 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 1.277 -24.308 4.454 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 -3.586 0.947 4.828 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 17.792 -26.747 -22.124 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 5.384 -5.392 -3.679 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 -0.798 -6.259 0.338 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 4.651 -29.149 5.959 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 -3.526 -3.845 -1.184 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 -1.968 4.377 3.035 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 4.653 -10.235 2.179 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 0.101 6.547 9.113 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 -0.002 2.569 -1.544 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 -28.124 -13.081 -16.830 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 -12.596 -3.338 -11.594 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 -2.409 1.829 -0.231 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 2.894 -20.419 9.672 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 -11.964 6.791 -7.023 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 1.214 4.232 2.115 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 1.908 7.464 0.226 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 3.795 4.781 -0.160 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 2.735 4.023 -5.120 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 8.288 -1.940 -4.659 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 -1.160 19.443 -5.144 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 -3.277 4.643 3.864 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 15.745 -40.245 -2.372 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 1.808 4.248 6.586 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 1.778 5.447 -6.048 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 -10.192 0.764 -11.694 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 -4.352 10.735 2.133 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 -1.879 -1.748 0.246 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 2.191 6.653 3.449 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 -1.833 -2.358 -10.011 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 2.401 -0.340 -0.427 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 -5.766 -3.139 -4.101 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 6.447 -3.708 15.051 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 4.508 1.465 5.315 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 20.417 2.168 11.855 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 -3.799 5.347 0.605 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 4.064 -2.754 -5.063 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 -10.715 -1.180 6.920 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 21.852 -0.393 -10.869 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 -3.079 1.509 2.494 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 0.629 16.051 -5.906 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 3.085 7.066 -3.256 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 0.695 4.514 -0.579 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 -18.601 11.601 9.219 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 -23.258 2.056 9.385 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 -1.136 -4.724 1.453 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 -12.012 7.719 -9.509 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 1.846 -23.492 12.976 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 -4.347 -2.609 1.548 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 -4.320 4.706 1.374 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 -4.135 -22.326 0.434 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 0.703 -7.350 2.329 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 3.383 -2.903 -15.409 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 6.063 -7.927 -12.452 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 6.759 4.556 -5.652 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 -20.037 6.376 -15.382 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 -11.993 3.465 -5.325 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 3.948 -0.319 -9.164 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 5.575 -9.161 2.962 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 17.949 -4.820 -16.547 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 1.062 6.715 4.797 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 1.800 12.231 0.755 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 -5.789 -15.962 -6.896 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 -12.623 -1.355 -0.079 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 9.916 -5.597 -2.449 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 -11.559 -17.443 4.529 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 -6.128 -2.482 3.617 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 3.925 -3.732 -0.545 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 -14.507 -0.996 20.385 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 1.141 4.056 -4.812 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 19.908 10.499 2.569 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 -9.667 -6.838 18.963 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 -0.859 0.109 3.689 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 22.873 15.688 -0.152 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 -24.520 -2.807 5.417 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 -5.998 0.479 5.223 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 -45.258 36.730 -27.647 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 -13.778 -35.070 8.463 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 -2.081 2.947 -7.783 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 6.335 10.787 -5.720 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 -13.039 -1.170 0.722 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 5.800 -2.173 0.852 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 -16.818 4.088 3.350 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 -15.075 -9.820 4.815 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 1.903 0.869 -4.082 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 -10.511 -4.567 -7.361 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 23.078 9.897 20.561 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 3.586 3.123 4.013 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 2.603 0.774 -5.802 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 19.879 36.309 -13.669 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 -3.893 0.712 8.543 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 -1.087 -8.002 4.411 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 -21.043 -8.126 4.705 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 2.296 -2.498 -2.471 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 -0.675 -11.567 -4.702 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 8.704 -1.095 -10.344 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 -0.928 -3.572 2.969 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 -5.382 -15.169 7.720 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 -1.766 -13.014 4.478 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 -0.136 3.691 0.190 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 2.126 12.255 -2.507 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 -2.416 -7.438 3.269 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 -3.078 -2.433 3.815 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 -3.269 0.917 11.609 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 -2.644 2.564 17.003 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 0.008 -3.211 0.658 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 14.882 10.058 -5.372 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 13.880 -28.284 -18.928 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 -1.712 -3.836 2.417 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 -22.422 -15.483 8.183 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 -12.281 -7.813 -6.500 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 -0.964 8.163 3.774 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 0.279 6.016 -9.636 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 -2.408 12.560 15.747 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 5.324 0.324 -5.503 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 11.740 -11.182 9.796 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 0.652 26.621 -7.221 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 -4.851 4.715 1.741 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 35.357 13.505 -1.103 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 -6.096 1.965 -0.891 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 -0.870 1.034 -1.968 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 3.878 -0.519 4.615 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 -0.466 14.884 3.608 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 2.436 -5.263 0.102 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 7.124 6.722 4.256 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 -6.104 -8.477 8.855 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 -7.428 -1.792 2.672 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 -5.735 4.078 -10.811 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 -19.114 4.140 9.720 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 -3.116 -5.045 0.902 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 2.506 -9.502 -4.398 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 -7.237 -6.057 -16.794 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 0.646 -4.726 2.121 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 -25.733 -18.493 2.236 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 -28.135 -0.795 2.524 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 -0.925 -2.012 -2.523 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 -5.435 -3.226 -10.781 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 -6.230 -2.893 12.653 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 -5.369 -4.731 2.342 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 -16.549 3.345 -2.830 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 -14.070 -11.766 11.763 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 -5.285 2.961 0.310 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 -1.019 -0.995 23.322 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 -19.749 -11.699 -6.446 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 5.669 6.524 -0.544 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 0.318 14.710 -2.038 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 28.251 17.546 -6.063 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 -1.433 5.801 -1.601 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 9.682 5.935 -2.232 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 -12.929 -11.083 19.646 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 7.466 3.893 3.076 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 33.816 6.258 8.710 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 20.635 -8.433 5.935 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 -1.922 -5.487 -5.738 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 -10.034 7.226 -15.136 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 3.149 -12.764 -0.649 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 1.676 -8.075 2.265 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 9.706 -23.006 2.792 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 -2.712 9.649 2.283 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 -2.322 -2.341 -4.626 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 -1.221 -3.201 -3.781 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 0.678 -1.915 -3.571 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 4.202 2.582 -0.849 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 -9.287 -10.713 2.667 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 11.467 -2.039 -5.093 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 -4.682 5.260 0.212 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 -8.194 -4.659 15.118 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 -5.221 36.065 5.479 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 -3.839 0.970 -2.222 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 3.452 14.685 14.339 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 3.957 -19.459 6.113 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 0.432 -0.740 -8.176 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 2.304 26.051 -3.508 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 -0.787 5.167 -5.771 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 -4.635 2.798 -2.130 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 -14.189 5.984 -17.310 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 -13.044 10.940 -0.199 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 -1.893 0.595 0.565 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 -5.904 -7.884 3.256 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 0.951 6.149 -0.863 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 -2.638 -3.272 -4.895 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 -9.366 -20.731 0.380 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 -11.696 -2.300 -1.187 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 1.571 -0.441 2.436 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 -15.084 11.770 12.076 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 -17.060 12.711 -6.632 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 1.057 4.249 -4.678 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 1.121 -14.039 -8.273 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 17.815 6.956 2.562 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 4.856 -3.439 -1.940 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 10.790 -2.835 -9.800 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 -6.603 8.942 -2.823 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 -8.487 4.300 -0.342 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 0.146 3.452 6.868 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 -12.602 4.160 -3.255 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 -4.123 -4.414 7.228 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 -10.704 16.715 15.444 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 -13.299 4.780 17.743 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 6.018 0.750 5.912 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 8.739 -0.538 -7.318 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 18.227 5.306 11.252 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 4.485 -3.941 -0.586 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 5.029 4.288 19.538 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 4.060 8.568 -6.114 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 -0.386 -6.012 5.350 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 0.082 -20.290 -7.659 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 -15.048 -8.500 8.793 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 -4.694 -3.588 2.033 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 8.010 2.266 -10.052 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 9.223 15.855 0.480 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 -5.369 -4.352 1.081 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 4.338 10.567 11.373 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 -7.292 -12.370 7.689 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 5.851 -7.509 6.633 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 6.290 5.060 -3.476 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 -0.253 -18.171 12.307 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 1.722 -1.619 2.566 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 -8.740 -1.110 -19.217 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 -2.019 -10.988 -1.234 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 -12.234 -4.395 -1.171 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 14.419 -0.500 -13.913 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 3.041 -6.028 -10.056 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 4.541 -5.214 0.300 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 -9.860 -10.063 21.416 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 26.322 5.087 15.193 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 -1.939 -5.239 -2.679 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 -6.962 -10.624 -3.935 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 -5.260 -19.500 -11.316 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 1.795 -0.019 1.793 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 -16.933 -3.910 -12.946 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 -12.747 -1.316 -8.512 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 6.352 -6.753 -4.127 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 8.547 6.428 10.066 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 12.975 17.600 20.756 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 0.354 -4.426 -9.315 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 -11.356 8.060 -7.856 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 5.337 -4.049 -17.989 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 3.037 -3.185 0.124 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 3.592 -2.366 3.948 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 1.789 -3.951 0.522 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 7.774 -6.249 -2.244 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 -14.076 -19.708 2.019 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 8.318 2.492 -7.525 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 -1.277 1.831 0.405 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 -15.738 8.320 -12.056 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 15.119 9.358 -3.636 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 6.760 0.286 7.446 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 -12.553 -22.501 19.324 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 11.044 -6.838 2.557 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 -3.918 -3.109 3.899 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 -5.314 -21.046 14.655 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 24.170 7.170 -3.746 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 7.422 1.351 0.380 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 7.165 -1.726 10.801 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 21.513 3.060 -3.867 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 -2.973 0.089 -1.650 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 -5.564 4.992 3.844 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 -13.878 -2.930 -3.063 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 3.153 3.750 -1.096 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 4.100 -0.810 -5.465 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 -0.095 0.882 -16.736 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 2.198 0.398 -0.767 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 -2.281 4.431 -6.589 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 1.344 3.181 -6.478 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 1.723 -6.524 3.414 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 15.021 -2.663 2.141 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 1.295 -15.883 9.950 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 6.165 -0.156 0.477 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 2.691 -15.494 3.940 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 0.342 -5.924 0.661 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 -2.187 1.477 1.881 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 -3.614 -6.074 -4.168 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 -15.379 -21.911 -14.541 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 -1.387 1.095 8.352 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 14.878 -0.319 -14.907 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 1.500 1.043 -10.164 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 2.599 3.278 1.493 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 -4.373 -4.017 1.966 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 6.686 -0.659 -4.909 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 -0.258 1.573 -1.819 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 -4.401 -9.098 -2.237 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 -4.178 12.961 22.441 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 -5.339 0.370 3.252 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 10.982 8.295 -0.914 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 2.851 26.285 -11.896 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 1.592 7.324 1.678 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 -11.430 6.637 -7.023 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 12.095 6.820 20.505 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 -4.917 1.903 3.583 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 3.348 19.210 -14.678 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 7.819 13.225 1.496 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 -0.412 5.912 1.692 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 0.592 -3.334 -9.950 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 -0.400 -0.104 6.670 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 0.824 4.381 -0.383 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 3.201 5.298 -4.344 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 -0.326 1.397 -11.238 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 7.673 0.386 1.566 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 19.325 2.522 21.180 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 10.433 24.024 -13.087 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 -6.593 7.081 2.955 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 -13.233 17.935 4.624 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 17.013 -11.863 -17.428 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 2.886 -2.697 -3.060 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 5.311 -2.977 -2.944 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 -4.347 20.921 -8.691 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 1.706 -1.115 4.125 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 2.755 -9.662 -0.915 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 -4.565 -3.508 11.531 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 5.039 0.300 -4.940 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 11.583 1.858 8.498 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 16.257 9.393 -10.374 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 -1.900 6.882 -2.575 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 -4.513 4.175 -5.121 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 -1.961 8.982 0.350 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 -0.263 2.766 -6.216 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 -18.682 -0.038 -43.249 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 25.851 11.458 5.729 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 0.757 3.692 -0.698 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 -11.090 -5.894 -5.389 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 -4.731 13.631 12.214 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 -0.890 -3.072 6.219 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 9.657 -38.562 -9.751 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 2.017 -2.023 13.074 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 1.777 -8.372 -1.167 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 4.411 -7.157 -13.191 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 12.562 -8.098 -10.748 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 -5.512 0.635 -5.219 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 -16.380 6.960 -13.195 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 -1.284 -5.098 -1.740 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 0.006 8.981 3.459 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 17.924 3.625 14.585 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 2.877 4.314 -18.431 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 0.312 6.034 -6.087 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 10.599 0.280 9.926 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 -4.931 -4.448 0.410 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 -3.666 2.090 -5.629 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 22.683 5.467 -4.829 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 9.122 -1.705 4.562 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 -3.579 3.432 11.053 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 -5.339 -1.772 24.255 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 -1.021 5.299 2.653 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 -1.747 -3.996 1.915 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 -11.655 -3.210 -3.649 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 -1.279 -1.422 12.115 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 1.417 -3.709 -1.215 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 1.912 -1.319 -3.096 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 -6.176 -2.594 -7.302 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 2.261 -2.216 0.255 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 -3.281 23.266 11.448 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 6.482 -21.119 23.832 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 -0.123 -8.238 -0.086 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 -1.837 -0.160 8.524 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 7.344 -17.016 4.751 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 1.767 -2.823 2.890 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 2.301 7.937 14.802 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 12.055 -20.678 8.714 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 -2.734 3.975 5.925 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 -4.727 3.367 3.408 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 13.497 8.056 -2.405 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 9.614 1.331 2.216 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 11.222 21.581 -1.852 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 -3.403 -2.938 -15.078 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 8.304 1.423 2.415 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 8.019 11.375 -18.897 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 6.723 19.234 -31.596 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 1.707 0.785 -0.385 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 3.086 0.297 -0.189 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 -9.626 15.295 -8.541 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 6.005 4.870 -2.614 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 4.434 -4.738 -13.208 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 3.104 2.378 -1.160 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 -2.545 2.251 -2.570 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 3.155 -3.647 -11.395 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 -28.841 24.716 14.418 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 -5.618 -6.210 5.523 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 -7.191 -1.941 15.301 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 -24.470 8.692 8.135 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 6.722 2.878 -0.439 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 9.353 -17.732 14.330 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 3.984 17.573 -10.374 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 5.224 -5.986 -5.703 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 5.404 -8.393 -0.368 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 0.609 9.440 -14.362 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 1.856 -1.437 1.290 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 4.390 4.240 -4.390 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 -5.253 3.015 -7.321 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 10.662 -5.581 -2.575 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 9.944 7.063 11.459 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 -3.037 -1.612 11.113 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 1.400 -5.091 -1.520 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 -1.135 -5.635 11.642 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 7.308 10.460 -10.082 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 -1.746 1.811 -1.715 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 -2.192 7.535 -5.950 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 -5.075 -2.624 7.743 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 3.509 3.440 -2.840 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 10.452 -6.999 8.486 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 -9.612 -10.069 -1.425 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 -2.479 -0.130 -2.465 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 9.458 -13.945 6.138 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 -33.910 19.872 -13.551 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 6.789 3.952 -7.730 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 19.480 -12.736 3.147 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 15.403 -4.635 -4.196 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 2.472 2.323 -8.307 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 4.470 -6.633 20.634 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 3.580 5.617 -5.570 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 1.724 1.214 3.576 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 12.184 11.439 -1.453 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 -4.519 -6.124 -6.189 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 3.090 1.708 -1.262 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 2.484 -12.082 1.694 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 9.244 4.757 8.479 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 -1.221 -2.647 -0.724 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 16.969 8.961 10.533 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 -9.746 -22.443 8.533 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 -2.732 8.724 1.484 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 -19.701 10.717 -5.867 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 6.235 -0.999 -3.745 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 0.648 5.500 -0.712 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 -6.045 11.360 4.980 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 2.846 6.757 -0.804 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 -3.448 0.253 -4.806 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 0.415 -0.932 -11.432 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 1.106 -8.325 3.559 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 -3.895 2.356 -3.470 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 -1.757 -0.168 -3.662 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 -23.597 -2.722 6.486 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 -1.645 -2.817 -6.580 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 -11.347 11.087 17.459 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 22.257 9.061 -8.379 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 -7.225 2.174 -3.828 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 -6.332 -12.531 15.291 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 -8.103 -8.248 4.651 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 -1.452 -0.780 4.550 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 -1.936 -4.604 24.458 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 -6.303 22.732 15.254 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 0.529 -0.093 -2.314 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 -1.436 3.976 1.328 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 11.889 8.459 7.686 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 -0.985 -3.244 1.670 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 9.618 14.892 -4.690 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 -12.455 10.209 -23.083 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 -3.253 -0.476 1.664 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 -14.034 0.086 3.733 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 7.417 -0.385 -0.136 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 -5.056 0.748 7.042 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 14.362 -5.532 -38.532 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 -2.912 -21.171 -25.449 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 1.263 -1.500 0.625 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 12.073 -31.069 3.650 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 -2.803 -13.109 5.304 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 -2.345 -0.387 4.531 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 -23.937 -4.495 5.933 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 5.288 -6.820 -16.684 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 -3.001 0.892 -0.863 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 5.700 -2.530 6.643 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 -16.560 -11.542 11.680 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 2.443 -1.048 0.121 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 -19.008 1.674 21.611 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 11.177 -13.521 8.876 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 5.638 -2.796 -2.612 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 -8.884 11.371 -28.566 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 4.014 -14.281 5.293 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 1.782 0.128 -3.243 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 5.733 -19.424 -2.183 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 12.294 11.276 7.925 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 4.591 -4.470 0.892 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 6.735 -1.997 0.867 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 6.080 0.891 1.328 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 2.980 3.542 -0.648 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 -10.223 7.329 -2.763 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 -2.423 0.317 -0.737 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 -8.033 -0.248 2.267 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 -9.482 1.297 0.091 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 13.506 -18.092 35.146 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 -2.994 -1.797 1.259 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 -3.239 2.850 12.424 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 -14.571 0.213 -2.660 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 1.081 3.178 -5.576 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 2.041 27.058 -5.865 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 7.310 -19.633 -7.299 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 2.907 -2.338 -6.474 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 -0.663 -0.153 -6.306 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 -7.373 6.284 4.889 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 1.842 -1.045 2.213 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 2.564 1.044 -0.973 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 -0.238 -1.185 2.442 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 4.608 5.818 5.888 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 23.882 -1.997 -4.263 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 -31.727 18.505 0.900 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 -0.600 4.253 -2.266 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 9.532 13.268 -17.632 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 -6.728 0.407 -17.573 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 2.865 -6.120 3.973 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 12.551 -21.716 15.306 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 3.306 29.684 21.581 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 6.128 -6.420 -6.382 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 17.462 7.928 -12.643 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 2.401 -14.070 14.413 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 -2.935 0.067 -0.515 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 -13.819 -3.352 -4.151 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 4.604 5.137 -3.010 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 0.409 10.490 4.579 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 -5.538 9.668 -7.457 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 -0.504 23.125 3.639 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 -0.331 -5.700 2.959 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 -12.183 6.402 -10.780 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 -0.143 -0.164 -2.237 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 -8.438 4.018 5.683 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 2.892 -3.624 3.516 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 8.077 18.555 4.840 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 2.957 -0.439 -1.553 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 -19.214 11.974 -15.795 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 -0.382 -9.142 -4.204 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 -4.785 -5.354 0.799 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 15.546 -1.485 3.915 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 42.832 18.013 11.002 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 0.736 2.788 1.749 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 -4.332 -3.743 11.290 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 -12.908 -0.845 8.600 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 -0.533 6.460 -4.400 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 15.596 13.687 -7.721 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 12.665 -5.960 5.369 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 2.850 0.962 -4.622 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 -8.689 2.423 -17.985 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 0.253 -14.784 2.499 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 -4.576 -2.383 1.387 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 -7.193 0.180 12.052 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 -25.308 -20.703 11.629 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 -1.533 0.010 -3.782 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 -5.285 -16.508 -12.152 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 16.606 7.516 15.658 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 -5.568 0.246 -4.980 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 -7.566 16.450 -12.340 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 -4.017 5.275 -4.474 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 5.374 2.467 2.877 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 -6.860 16.554 11.660 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 19.913 -12.187 6.453 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 -0.988 0.014 0.483 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 -4.586 -4.539 -16.241 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 -14.152 17.782 7.027 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 5.310 -0.319 1.482 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 1.871 6.269 13.680 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 6.097 0.272 8.004 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 -7.260 7.394 2.535 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 -15.356 5.703 9.015 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 -1.657 35.526 10.427 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 0.838 3.472 -3.650 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 -1.612 16.132 -1.831 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 -6.191 6.602 -3.685 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 -6.315 2.535 5.971 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 -9.818 7.474 1.913 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 9.320 -13.112 2.586 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 0.618 0.493 8.425 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 -15.821 -2.562 -26.344 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 -15.333 -5.458 36.580 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 -0.401 1.223 0.511 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 -1.313 7.883 2.628 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 -0.025 -2.856 6.425 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 -3.554 7.390 5.747 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 -14.447 -8.163 3.398 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 11.014 10.853 -5.867 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 1.515 7.099 -4.884 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 -5.862 1.724 6.891 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 -4.831 4.251 3.389 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 2.614 3.151 0.593 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 22.499 13.363 14.217 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 -2.181 -3.118 7.727 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 0.271 -4.858 -0.398 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 -3.260 1.294 -14.946 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 -0.447 37.214 -20.282 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 7.132 4.580 -4.876 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 2.588 2.916 -3.234 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 11.273 7.113 -1.945 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 6.745 6.168 -1.911 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 17.933 1.902 -6.484 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 3.863 -11.018 6.391 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 -6.971 -2.062 4.496 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 -5.349 -1.486 3.541 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 -4.402 -1.204 2.862 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 -1.410 -8.149 -0.340 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 -13.761 5.753 -0.283 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 5.831 13.027 -21.595 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 0.540 -3.029 -2.475 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 -3.583 -6.577 3.860 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 -10.242 -3.676 4.076 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 0.719 2.125 1.264 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 -3.181 -0.029 0.145 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 -6.906 -3.239 -0.554 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 5.136 -3.856 1.047 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 1.349 -9.224 5.745 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 -4.992 4.065 10.687 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 -0.823 -1.958 2.203 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 -15.521 -26.369 27.534 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 -7.883 6.887 14.707 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 2.033 0.340 -1.713 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 6.814 7.496 -10.739 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 23.946 19.411 -23.551 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 -6.136 4.561 -1.338 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 -23.408 -3.268 -10.106 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 -16.338 -0.449 -16.735 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 0.246 -1.346 -3.262 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 -9.762 6.947 -4.404 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 -0.688 -0.224 -2.219 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 5.466 5.783 -1.537 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 -6.756 37.258 -17.513 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 5.685 11.378 -2.230 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 2.303 4.097 -0.967 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 0.753 -2.793 -5.431 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 -6.338 7.456 -7.487 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 -0.410 -5.880 2.146 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 -10.371 -2.260 6.439 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 -8.711 -6.572 -1.150 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 -5.433 1.085 1.945 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 4.506 -12.326 -44.531 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 3.019 0.813 11.713 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 -3.649 -0.957 0.989 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 -32.095 -24.045 -14.316 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 7.307 9.291 -1.507 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 -0.430 -1.392 1.007 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 -20.652 -2.806 -5.222 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 -4.946 10.386 -12.958 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 -5.240 1.921 -1.623 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 1.999 22.389 -22.267 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 -17.779 -3.513 15.675 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 1.055 1.164 -10.506 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 -27.193 2.989 15.758 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 3.433 4.547 -9.263 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 6.901 8.871 6.646 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 -14.185 0.622 -1.607 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 -9.399 3.384 2.101 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 -5.488 -2.375 -1.586 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 -11.826 -3.828 1.939 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 -12.329 -19.758 14.196 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 4.569 -6.091 0.609 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 12.095 -7.610 8.219 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 -12.003 2.959 -6.583 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 -2.491 -7.514 -1.088 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 -11.610 -21.282 -9.363 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 -17.219 -23.001 -20.982 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 -1.323 -2.489 -1.028 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 -12.704 35.076 6.208 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 1.653 1.007 -29.055 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 -1.810 0.605 -5.853 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 -29.611 12.188 13.561 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 -16.172 8.651 -2.005 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 0.012 -1.839 -1.334 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 -2.898 -1.683 0.574 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 16.122 -0.972 -9.793 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 -2.859 -5.292 2.384 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 1.308 7.101 0.489 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 6.924 9.148 3.557 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 -3.212 1.681 3.511 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 9.568 7.045 -4.643 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 -4.363 10.558 -0.200 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 0.998 -4.956 -4.583 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 0.894 -10.469 -7.896 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 -2.877 -0.422 -9.528 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 0.320 -2.612 2.156 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 -2.936 -18.276 20.568 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 -16.236 -2.645 -14.285 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 -6.485 2.260 -2.125 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 -4.888 11.559 -7.158 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 13.478 -0.464 8.019 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 3.870 -0.891 -5.492 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 1.318 10.291 0.640 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 -3.645 -7.830 -1.722 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 4.702 0.352 -2.740 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 18.346 12.448 9.597 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 -13.853 -1.427 16.911 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 2.978 -4.453 6.005 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 -20.070 -5.556 37.699 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 7.069 2.908 -8.830 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 0.166 -1.325 0.784 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 3.597 -0.717 -3.700 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 -3.828 -3.954 -1.890 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 0.090 -0.876 1.268 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 -20.831 -17.851 -8.882 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 20.346 17.657 1.226 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 4.764 -5.683 -3.187 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 -4.229 4.408 3.554 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 8.864 -13.364 10.165 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 4.122 -4.463 0.092 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 -7.709 -17.215 12.363 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 -4.465 -5.036 -9.236 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 -0.415 -0.424 -5.321 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 -6.600 7.251 -13.091 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 13.236 -18.155 12.580 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 0.985 3.365 1.214 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 -10.650 16.250 10.722 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 -8.874 1.068 3.177 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 7.476 5.659 1.265 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 -5.210 -2.769 -16.250 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 8.817 -1.666 -5.176 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 4.258 0.347 1.330 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 6.477 10.863 -16.791 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 18.561 15.567 7.969 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 -2.364 -7.206 3.094 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 -11.398 12.629 15.674 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 -14.776 19.267 10.201 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 8.733 -1.789 -6.776 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 -6.442 7.407 -12.214 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 25.029 8.896 -9.823 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 3.822 -1.113 2.664 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 10.406 -6.706 3.877 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 6.916 -7.457 2.890 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 1.357 0.496 1.344 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 2.632 -1.153 7.458 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 -0.287 -0.998 6.943 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 -2.981 -12.184 -4.313 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 -3.625 -24.975 -14.149 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 -6.590 -15.715 -1.557 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 0.237 -3.154 1.469 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 11.053 -7.374 11.837 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 9.811 4.847 -6.540 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 -1.307 -0.648 -1.303 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 -12.241 -7.563 7.058 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 -9.166 -0.763 -20.303 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 -0.501 3.435 -8.003 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 -19.270 16.407 23.192 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 4.660 3.797 -9.232 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 6.404 5.490 -4.028 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 7.184 7.146 1.781 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 6.589 0.871 -27.766 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 -5.374 7.586 0.181 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 -4.561 7.442 1.256 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 -5.598 2.696 9.970 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 3.055 3.087 2.914 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 0.482 1.707 8.421 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 17.885 13.262 5.384 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 -5.781 -1.393 -4.915 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 -2.806 0.516 -8.474 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 -5.626 -6.230 -10.582 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 -0.368 -4.062 -6.406 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 7.496 5.789 0.862 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 2.287 0.823 -2.700 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 3.137 -4.298 6.469 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 -4.985 34.143 -1.545 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 13.143 1.891 21.173 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 -5.828 -1.702 4.406 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 -0.737 12.632 -0.172 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 -2.110 6.068 27.945 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 1.533 4.537 11.126 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 5.083 -9.268 28.959 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 5.397 -9.203 -4.345 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 8.455 -7.167 1.351 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 13.595 7.971 16.202 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 24.436 -27.340 12.239 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 -2.746 -5.728 0.867 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 16.652 -30.825 -4.814 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 3.434 12.057 -20.104 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 -5.802 -6.107 2.936 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 3.285 -6.448 13.279 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 -14.685 -20.456 5.941 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 2.647 -2.592 -6.262 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 2.408 -4.540 -5.771 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 7.479 -0.002 12.757 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 3.108 -0.873 -0.804 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 5.173 -7.746 -15.083 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 -1.288 -8.521 0.737 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 -1.631 -1.653 0.550 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 -20.556 10.752 -17.162 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 -13.919 20.173 -6.340 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 10.511 3.884 7.498 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 15.624 3.777 -1.469 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 9.462 7.486 5.707 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 1.157 -4.817 -8.020 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 -0.644 -10.923 -3.675 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 6.942 -2.332 -24.837 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 -4.288 1.246 4.143 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 -7.319 11.338 -10.778 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 -7.157 -13.080 21.088 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 4.878 3.253 -4.146 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 12.485 -4.450 23.830 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 -25.500 -26.217 9.351 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 -3.872 5.638 -5.736 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 1.874 4.453 -7.069 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 26.261 -7.939 -10.101 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 4.431 -3.454 4.474 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 -34.419 -30.995 5.130 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 21.042 15.694 6.102 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 3.612 -5.325 -2.591 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 11.929 -20.880 0.275 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 -9.680 -17.511 -30.068 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 -2.245 2.678 -2.176 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 -7.620 -0.101 -9.659 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 -9.515 -4.206 -13.744 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 1.543 -8.805 -9.677 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 5.207 -21.748 -19.509 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 5.084 -2.220 -10.429 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 -1.952 0.110 -0.482 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 16.714 8.970 9.071 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 -10.640 -11.158 12.206 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 -2.794 -7.500 5.917 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 -6.168 -2.863 9.315 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 14.271 -2.652 -25.384 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 -5.775 -0.091 1.365 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 -25.628 5.802 19.556 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 -3.075 13.868 -34.760 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 -7.067 2.972 -3.223 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 12.092 6.245 17.257 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 -0.647 5.614 -5.033 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 -0.211 4.591 -4.621 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 1.337 1.497 -2.597 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 -8.501 -7.960 4.300 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 -1.361 -2.851 -5.080 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 -26.487 -1.067 -2.845 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 -4.038 -0.814 -6.526 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 3.027 2.417 0.868 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 13.425 6.533 11.410 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 6.989 9.332 -9.665 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 -0.439 0.161 -2.627 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 0.762 -2.977 -3.508 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 5.889 -5.891 -6.354 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 9.219 -6.412 0.699 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 27.604 4.253 4.910 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 12.940 -3.873 2.302 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 -1.478 -0.823 -5.396 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 7.284 -7.704 -16.803 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 18.941 -11.719 -4.007 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 5.260 -2.337 0.482 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 4.006 -2.734 -0.366 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 -1.935 0.053 2.712 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 1.769 4.021 -1.913 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 16.301 3.450 11.398 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 -22.354 10.549 -1.717 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 5.424 2.272 1.761 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 11.139 7.748 -3.583 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 -12.075 -13.910 9.737 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 0.973 3.534 0.748 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 -1.573 -1.853 19.321 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 -4.150 -15.115 -8.647 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 3.445 2.133 6.869 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 16.276 3.995 14.159 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 -29.567 0.746 -20.487 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 2.236 -3.500 4.180 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 0.649 22.614 -7.835 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 -5.384 -7.653 -5.780 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 -3.696 1.471 0.714 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 1.453 10.879 -0.694 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 -14.433 -15.175 -2.605 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 -1.507 3.516 -8.823 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 2.214 8.853 16.036 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 2.367 25.767 5.601 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 1.161 0.700 5.104 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 -6.964 -0.643 -7.102 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 -5.808 -3.305 16.844 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 1.858 2.754 -4.016 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 2.544 1.541 -11.054 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 -11.735 1.478 3.917 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 -5.915 -0.316 0.204 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 15.005 -3.453 9.493 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 -4.425 -10.407 0.415 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 0.060 -0.163 0.142 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 -28.956 -9.909 -5.987 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 27.273 7.363 11.485 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 -4.375 0.474 -5.160 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 -1.384 -1.024 5.558 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 -4.263 19.069 22.389 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 0.747 -7.172 8.179 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 4.533 -11.901 6.898 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 6.363 -11.271 4.998 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 -0.749 5.129 -5.656 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 -6.448 -8.482 -19.699 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 8.597 -2.663 12.514 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 -8.170 -6.034 -3.283 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 -3.932 22.827 3.952 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 -3.199 16.394 2.655 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 2.044 0.125 -1.896 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 4.184 6.902 -16.085 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 12.724 2.548 0.229 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 10.139 -3.619 -6.652 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 12.509 -7.259 -2.922 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 4.614 0.364 -8.105 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 3.065 1.929 6.462 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 8.320 -1.886 5.957 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 -3.765 20.208 -1.141 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 0.255 1.529 0.445 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 5.073 -3.397 11.970 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 -19.043 -4.547 -2.227 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 0.450 -6.783 -8.134 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 14.516 5.832 16.434 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 -24.466 3.057 4.430 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 0.541 -5.836 -4.369 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 -10.187 -16.973 -9.422 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 -17.489 14.321 -3.116 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 0.435 0.754 -0.675 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 1.324 1.764 0.315 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 -1.353 3.379 -10.131 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 -4.185 -3.000 -0.576 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 5.143 2.247 9.478 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 -6.860 -10.649 6.237 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 -3.396 0.004 -3.285 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 -3.615 9.208 5.320 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 -27.562 13.390 2.236 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 3.818 6.070 -7.480 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 0.270 15.223 0.237 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 -1.157 -1.378 -15.725 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 -1.521 -6.053 -2.330 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 12.945 4.161 -9.732 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 3.778 -4.465 0.356 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 -1.320 5.013 0.861 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 7.810 -5.217 -4.701 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 16.270 -3.001 -11.723 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 1.541 -4.275 -0.398 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 -5.100 -11.488 -2.349 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 4.764 25.037 -27.929 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 -2.141 -2.505 3.772 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 1.683 -10.346 -6.583 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 14.744 -14.565 -15.422 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 0.646 -4.841 -2.905 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 20.082 -28.745 9.782 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 -27.116 -5.453 1.947 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 1.096 -2.464 1.217 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 -15.769 0.286 4.519 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 0.122 -1.814 -18.240 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 -8.845 4.069 -2.855 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 -2.165 -3.067 18.622 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 -2.142 10.696 7.273 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 1.809 0.537 1.909 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 9.112 6.112 -4.616 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 22.277 16.216 6.470 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 -1.622 0.131 2.102 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 -5.175 0.055 7.600 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 -5.531 8.761 -5.286 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 -0.151 1.576 -2.100 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 0.709 -14.168 7.975 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 -6.475 1.401 3.005 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 4.704 -3.098 -2.098 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 -3.342 21.428 -4.826 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 20.844 13.624 0.775 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 0.699 0.988 -2.593 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 11.847 -15.323 0.829 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 6.426 -10.324 -0.143 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 -0.386 -6.827 -0.984 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 -17.642 -9.104 3.920 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 2.053 -8.619 -3.529 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 2.369 2.957 0.099 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 7.511 -18.246 15.704 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 -14.523 -4.544 -18.733 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 6.884 4.769 4.733 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 6.241 8.125 13.695 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 12.969 4.995 -0.703 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 -6.170 7.125 -6.156 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 -0.628 -8.009 3.562 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 4.860 15.104 -15.193 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 12.217 -0.114 -1.400 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 27.571 -18.421 5.271 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 2.537 0.552 7.460 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 -2.130 -0.565 2.770 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 2.583 7.968 -10.961 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 -18.597 6.984 -2.541 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 6.081 2.587 -3.309 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 20.588 15.744 -14.317 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 9.422 -2.162 0.680 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 3.236 -6.115 -0.851 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 -0.478 -4.549 -6.597 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 15.908 15.219 -2.346 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 1.293 6.813 1.948 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 -4.908 -1.623 1.060 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 -7.502 -6.481 0.432 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 -0.852 3.958 -4.468 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 0.428 -12.860 -23.626 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 12.231 -8.775 24.634 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 2.098 8.640 -2.872 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 -13.561 11.664 9.024 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 43.928 -3.543 -15.516 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 -3.088 -1.966 1.530 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 17.719 18.258 24.187 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 4.893 -15.826 -27.974 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 1.650 -3.441 -0.930 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 -2.732 2.868 1.907 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 8.240 -2.770 3.294 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 1.647 0.517 -3.941 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 3.415 1.750 -11.284 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 -3.283 11.224 -3.411 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 3.753 0.445 0.544 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 10.696 2.164 6.510 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 -8.860 0.955 -16.118 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 7.853 -4.396 6.137 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 3.970 -4.798 5.903 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 28.888 -5.194 4.578 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 -1.244 4.078 3.450 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 1.331 8.313 0.675 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 1.436 18.466 -15.279 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 -1.810 4.767 2.906 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 9.463 1.395 18.131 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 12.056 12.013 -1.733 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 0.485 -2.739 -4.333 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 9.644 3.340 0.250 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 -17.695 -9.787 -10.451 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 1.546 0.307 5.293 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 -1.390 11.279 14.066 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 8.504 -5.796 -13.365 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 -6.615 3.773 -0.213 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 -5.065 15.680 2.563 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 -5.621 7.312 2.388 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 1.176 -0.638 2.405 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 33.172 7.570 -23.572 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 -27.761 3.894 -23.997 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 -8.305 -2.412 -0.879 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 -8.901 5.073 4.803 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 -28.666 17.754 15.199 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 -2.098 5.309 -0.837 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 -14.118 9.685 -0.425 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 4.945 0.739 2.234 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 2.816 0.515 -2.991 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 6.957 14.195 -15.969 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 9.441 -9.093 2.198 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 0.748 3.674 0.752 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 0.137 2.289 13.034 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 3.377 -12.073 -0.178 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 -8.753 0.949 -2.956 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 4.586 18.918 -0.863 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 5.136 -14.818 -12.604 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 2.754 0.375 2.011 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 1.791 -7.613 0.060 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 -1.433 -11.231 -9.870 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 0.534 4.590 -0.714 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 12.961 12.994 -5.535 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 9.914 -9.936 2.996 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 -5.370 -4.728 10.281 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 1.909 -11.257 -1.029 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 -9.335 -15.766 18.863 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 -9.078 -0.438 -6.054 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 -8.968 -15.256 25.601 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 -6.203 7.836 26.705 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 -3.546 -3.206 3.106 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 22.812 -10.796 1.691 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 19.738 10.735 20.367 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 4.350 -0.636 -0.276 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 -14.311 1.330 -1.020 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 -18.892 7.035 -6.658 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 1.891 -6.802 -1.936 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 -4.622 -5.760 -1.221 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 11.957 -7.119 -3.539 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 1.485 1.346 0.069 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 -1.939 -0.967 -9.182 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 -1.614 -2.079 7.952 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 -0.181 0.920 -5.777 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 -5.358 -4.248 9.271 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 5.437 -12.681 -13.558 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 -0.533 10.311 2.352 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 0.070 7.994 3.078 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 -7.660 -5.073 -18.432 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 1.060 -1.863 0.098 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 0.566 -4.618 -3.201 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 1.884 0.631 3.191 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 6.862 -3.339 -1.651 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 4.893 6.593 -41.731 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 -21.369 23.031 -15.679 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 4.959 8.792 8.763 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 4.548 6.880 9.450 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 9.294 1.555 6.512 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 1.088 -2.222 -4.658 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 -1.033 7.924 -8.739 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 -0.766 16.619 -14.098 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 -1.763 -1.428 1.250 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 -9.891 -9.194 5.670 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 3.232 1.883 -6.121 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 -4.601 -5.425 -2.287 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 -13.973 6.926 -6.178 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 -33.306 10.052 -19.557 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 -6.429 -3.153 -3.074 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 -8.948 -1.290 -6.419 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 -11.597 -8.486 -5.233 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 3.220 -0.994 -5.235 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 19.476 22.686 21.298 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 6.827 3.860 -24.823 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 3.077 -11.390 0.936 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 7.436 -38.530 -7.059 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 3.190 -0.949 3.395 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 -8.162 -4.888 1.434 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 0.711 -2.640 3.318 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 -11.352 -4.717 16.879 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 -0.280 -1.512 -4.667 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 12.987 -14.646 4.241 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 -5.821 13.893 0.408 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 0.056 0.693 1.285 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 -8.219 1.830 3.477 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 -0.405 -4.100 -5.845 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 -5.076 -3.624 4.102 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 -17.023 17.856 -6.332 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 1.109 -17.975 9.382 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 9.271 -3.166 0.959 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 19.586 5.575 12.287 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 15.145 1.955 10.119 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 2.965 -1.268 0.265 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 4.813 -1.965 5.018 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 4.483 -3.044 1.638 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 0.402 -0.925 -1.637 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 5.339 -0.075 12.630 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 11.165 3.968 -10.564 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 5.983 1.107 -0.554 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 2.779 -7.594 3.437 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 1.244 -7.015 4.995 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 -2.495 -2.050 3.482 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 -6.018 -0.184 -1.339 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 6.938 5.565 -15.612 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 1.530 3.070 -2.578 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 -8.521 -2.205 -2.358 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 -1.053 8.910 -9.452 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 -5.081 2.258 9.876 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 -1.158 -13.464 19.764 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 -6.416 -1.679 8.502 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 -4.237 -7.258 -2.493 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 -0.341 -19.022 3.260 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 12.331 -17.195 12.085 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 1.753 1.383 -5.304 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 0.673 6.815 8.918 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 6.987 2.088 -12.758 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 -7.339 9.183 -2.051 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 -14.050 -0.708 -9.347 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 0.653 -15.686 -9.491 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 -6.538 3.611 -1.711 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 -19.237 3.715 15.076 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 -11.583 3.946 -23.134 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 -0.145 9.232 -0.310 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 5.347 -0.077 3.482 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 -4.244 16.326 7.894 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 2.805 -9.202 -4.675 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 -11.050 -4.043 9.472 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 0.453 4.897 -4.948 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 7.257 -4.368 -3.395 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 6.346 -2.234 -4.446 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 4.317 -8.063 -2.141 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 -0.073 3.563 -0.611 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 8.624 -18.403 5.857 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 2.108 -1.335 0.839 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 0.872 -6.256 7.839 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 13.361 12.893 11.157 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 7.601 3.441 7.541 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 -2.803 -7.592 6.215 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 2.759 -14.641 10.092 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 -6.199 -14.076 21.918 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 -3.318 -0.759 -1.730 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 2.246 -14.238 1.700 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 3.591 -19.708 -1.122 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 -1.663 10.391 2.729 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 4.359 13.206 1.016 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 -8.081 13.300 -1.680 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 -3.197 1.948 -4.711 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 -24.200 -13.290 3.227 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 -6.183 23.575 14.662 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 -0.055 -9.788 1.968 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 1.048 -10.711 0.656 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 3.926 -2.994 17.298 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 5.471 -0.180 1.479 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 -0.001 -2.973 -8.723 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 -1.836 -2.937 -8.748 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 -3.651 0.742 7.846 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 -12.848 5.192 4.672 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 0.152 -13.524 5.320 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 -4.249 -2.509 -3.505 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 -6.365 2.112 -9.907 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 -4.339 -9.793 -5.051 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 1.154 -0.154 8.223 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 1.655 -3.762 10.199 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 13.541 2.323 3.338 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 2.591 -2.289 2.792 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 -3.486 -4.186 3.144 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 0.641 5.702 -3.166 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 3.378 -1.251 6.216 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 4.191 -4.028 7.929 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 13.200 -7.534 26.925 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 -3.051 -0.979 5.209 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 -3.317 2.476 3.504 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 -4.166 2.201 13.006 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 -12.145 4.057 5.239 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 -9.948 6.773 6.391 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 -4.364 -2.409 8.736 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 -3.942 2.042 7.474 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 -7.248 -8.020 -1.661 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 -11.217 -0.601 10.621 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 2.252 3.326 3.881 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 2.324 6.817 -12.804 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 -10.254 0.539 -7.358 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 3.284 -1.540 0.217 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 -7.478 16.564 6.209 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 12.004 4.934 -37.378 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 0.045 4.783 -4.949 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 -1.084 6.712 2.150 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 -0.602 5.640 -1.712 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 -2.577 -1.597 0.697 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 -1.076 -15.974 3.285 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 5.779 0.959 -8.631 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 -1.871 1.252 -3.288 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 12.731 -9.752 -3.612 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 -5.302 11.627 4.663 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 -4.233 -0.534 0.916 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 9.178 -33.052 -6.030 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 5.178 -11.764 30.086 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 3.968 6.308 1.325 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 -2.998 12.910 4.264 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 6.512 -5.594 -18.732 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 -4.618 -2.133 0.581 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 -10.909 8.539 4.466 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 -5.853 -10.139 6.012 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 -14.007 2.894 2.771 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 0.654 3.837 10.881 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 -4.144 -7.191 7.650 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 4.516 5.143 -1.987 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 -3.621 -0.105 -5.239 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 13.419 -0.350 17.518 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 2.612 -5.754 -4.908 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 -8.137 1.254 12.264 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 3.622 -11.688 11.767 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 -3.088 -2.686 -1.398 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 -9.558 -2.597 2.725 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 1.114 5.231 -1.978 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 0.757 2.283 -1.711 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 -11.833 2.218 6.432 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 1.941 1.812 -4.314 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 0.337 1.210 -7.195 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 -14.510 -9.086 30.101 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 -2.822 -2.407 10.064 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 1.884 -6.806 4.569 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 18.929 19.097 6.784 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 -11.992 -35.264 2.088 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 -2.299 -0.540 -0.858 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 -4.576 -28.810 -1.822 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 -7.317 4.967 -4.438 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 -2.958 7.344 1.684 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 -16.582 -8.444 -17.069 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 -3.702 12.431 7.145 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 -5.726 -3.563 8.121 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 0.470 -6.566 18.410 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 -8.414 -5.913 -3.041 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 1.859 0.368 -0.826 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 -1.588 2.088 8.001 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 0.036 -1.460 -0.725 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 -3.978 -4.861 -2.336 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 -7.063 -24.562 16.376 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 -8.785 1.273 12.485 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 -4.133 -6.468 3.498 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 -1.138 -12.638 0.883 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 -0.214 0.086 4.623 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 3.346 1.149 1.017 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 -11.089 -4.153 0.357 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 17.361 -13.673 -4.265 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 4.744 -9.286 0.196 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 9.136 -3.717 7.045 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 -1.030 -2.745 -4.029 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 1.537 3.160 -3.255 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 -0.740 7.838 -19.830 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 9.088 10.031 19.088 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 -3.805 -9.210 -0.390 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 1.956 -14.436 -9.021 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 -2.987 -0.794 4.782 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 -1.961 -5.766 0.796 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 -1.885 2.340 0.799 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 12.043 -6.288 -20.812 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 2.752 -5.763 2.300 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 5.258 14.126 -7.890 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 2.755 -1.204 -17.254 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 -0.570 -4.435 0.854 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 5.468 -11.584 7.792 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 -31.657 10.228 -4.379 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 -0.000 0.921 -0.541 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 3.413 -1.601 -15.218 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 12.304 7.454 4.650 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 0.870 -2.211 -3.699 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 -1.879 -10.335 -17.594 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 1.941 7.090 17.935 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 -7.078 -2.377 -0.510 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 2.273 5.731 9.505 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 -27.936 -9.951 -14.789 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 1.333 -5.625 2.538 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 5.648 -2.847 -2.241 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 2.449 -3.335 -0.652 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 -3.095 5.262 0.619 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 15.035 -15.912 -13.701 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 0.530 1.827 -11.467 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 5.447 0.854 5.562 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 1.146 -1.205 4.275 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 11.447 -2.073 3.963 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 0.636 1.432 -3.813 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 -44.461 14.317 -3.776 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 -9.560 15.531 2.439 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 -0.381 -0.002 -5.632 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 2.652 4.841 -6.633 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 -6.000 18.201 -3.076 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 -2.123 -5.283 -2.593 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 14.913 7.157 20.400 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 4.258 -2.114 7.799 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 0.571 -2.226 -1.444 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 -0.609 -5.134 -0.178 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 3.882 14.261 -12.884 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 7.565 -4.021 3.271 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 -5.702 -11.654 14.285 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 2.481 6.415 -18.346 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 -6.193 0.560 0.149 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 -7.200 -1.166 4.581 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 -23.518 -0.205 1.750 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 0.372 0.629 2.424 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 -1.541 14.439 8.520 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 -8.253 -10.581 -2.562 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 -7.011 0.452 2.414 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 4.386 -0.146 -28.972 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 -6.009 -3.222 3.683 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 -4.794 3.285 -0.905 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 -6.249 21.148 9.650 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 12.598 -2.557 -12.744 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 -0.977 3.870 15.088 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 8.812 -7.667 7.452 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 -12.634 7.878 24.651 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 -0.066 0.706 1.579 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 9.534 -6.254 -3.040 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 10.298 -25.025 32.873 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 3.749 -2.269 3.007 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 -14.663 7.454 26.107 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 18.783 -5.228 -3.761 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 1.009 -1.642 2.991 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 -0.100 -5.206 -34.124 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 21.477 3.389 -9.834 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 -4.481 7.595 3.189 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 2.393 -9.649 27.835 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 -8.700 -12.582 -9.147 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 -0.491 1.928 -2.375 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 12.205 4.693 -32.109 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 0.465 6.147 -0.932 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 -1.259 -2.611 -2.266 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 -5.806 -4.397 -4.337 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 17.142 -13.491 0.430 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 1.741 -4.421 -5.021 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 2.845 -10.529 -8.270 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 3.787 7.354 -8.901 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 -6.174 4.337 -1.693 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 9.489 9.046 2.658 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 8.769 20.387 11.409 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 0.244 -1.364 -4.612 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 14.477 6.212 22.687 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 16.734 2.023 -8.006 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 -1.275 1.888 -2.845 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 12.493 4.693 -25.479 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 -25.420 -2.465 27.534 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 0.586 -6.994 -1.840 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 -9.504 0.143 16.901 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 -4.780 9.487 12.144 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 -0.820 -3.488 7.619 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 8.068 5.540 14.119 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 -4.704 -3.242 -5.235 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 -4.094 -4.060 3.747 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 -7.678 -4.907 10.710 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 -15.472 -0.541 4.102 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 -0.217 11.299 1.560 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 -12.313 -2.223 5.815 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 -1.418 16.003 -2.604 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 0.655 0.403 1.821 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 11.188 20.920 3.941 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 -25.932 -10.999 -12.243 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 -2.769 -7.406 0.179 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 -7.291 -11.732 -17.732 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 2.509 -7.923 15.530 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 -1.457 1.165 -3.951 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 17.047 9.306 8.161 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 -7.927 -13.773 6.410 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 -9.609 2.687 5.715 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 -14.836 5.566 14.590 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 4.564 -4.072 11.593 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 4.151 -6.377 0.967 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 0.019 2.693 4.722 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 -2.882 -12.648 -3.286 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 1.080 -1.509 -1.361 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 9.934 3.053 3.081 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 40.712 2.123 17.883 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 3.086 -4.002 5.419 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 -10.956 21.882 -11.435 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 -14.056 2.817 14.104 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 3.281 5.391 -5.616 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 -12.731 5.217 15.127 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 21.066 1.651 -12.431 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 1.473 4.025 8.947 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 -13.750 -9.929 8.425 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 -11.434 -11.426 12.628 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 -2.222 0.347 0.025 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 -2.381 -8.054 2.586 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 -4.843 -6.389 0.244 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 -7.676 -3.763 -4.697 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 -11.793 -7.793 -5.649 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 -18.234 -2.014 -0.722 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 -1.504 -0.752 1.104 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 6.609 -12.355 -9.302 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 -10.027 19.745 12.882 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 5.876 -1.675 -4.681 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 8.198 -2.655 9.698 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 22.879 10.153 -7.526 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 1.863 4.596 3.637 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 5.763 11.979 21.462 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 11.912 8.032 12.668 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 1.724 -3.159 -6.195 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 2.163 3.161 8.584 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 7.805 3.904 -5.556 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 3.104 0.403 -2.615 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 -19.816 -10.317 -35.998 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 20.850 16.540 -22.564 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 -4.740 0.081 0.919 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 -4.735 -4.273 0.518 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 -18.063 -3.243 -1.184 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 5.851 -2.023 0.018 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 13.887 -9.689 12.082 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 8.524 -9.143 -15.890 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 -5.358 4.778 -2.322 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 -5.606 7.274 -3.032 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 15.292 1.197 7.729 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 -2.874 -8.635 3.033 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 3.376 13.287 1.724 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 -5.352 -12.256 0.808 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 -2.619 2.990 2.473 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 -16.520 -7.074 8.391 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 0.598 -15.152 3.772 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 -3.077 -8.112 4.648 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 -9.772 -9.486 18.030 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 13.391 -2.547 7.833 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 -7.934 -4.625 5.895 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 -9.745 -4.255 10.887 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 -5.511 -4.205 -0.727 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 -3.405 -0.866 -4.490 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 2.927 -5.469 -7.441 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 -11.154 5.782 -0.445 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 1.632 3.297 -3.190 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 9.040 1.070 -7.610 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 8.058 8.940 2.472 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 -6.079 -9.021 -1.618 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 9.437 -7.514 12.639 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 -13.667 -5.966 4.460 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 1.144 3.275 1.427 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 0.480 8.227 3.795 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 1.212 -3.206 -2.697 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 0.289 3.882 -4.020 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 -0.643 0.606 -1.871 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 4.938 -3.490 -4.308 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 -3.617 -4.416 -0.074 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 -0.517 -1.309 -8.072 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 -4.299 0.202 -0.855 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 2.360 -0.731 -1.924 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 7.221 10.107 -0.670 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 5.458 5.292 4.923 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 -1.441 0.799 2.295 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 6.238 -8.860 4.271 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 0.652 8.182 1.627 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 -5.064 0.447 0.198 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 3.370 -2.194 0.813 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 2.151 -7.157 -0.239 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 1.664 -2.814 0.311 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 -0.733 -11.296 3.125 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 -9.791 3.241 15.186 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 0.926 -1.458 -6.268 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 0.128 -15.328 17.508 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 7.686 -7.897 -2.416 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 -5.742 3.601 -6.648 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 3.508 -2.429 -5.000 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 -12.532 -2.219 -7.067 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 -6.778 0.457 0.541 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 1.467 -3.050 23.201 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 -10.865 10.345 16.934 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 0.297 -2.178 -10.600 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 -1.090 0.228 -3.634 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 -2.160 -8.567 -10.919 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 -5.683 3.508 -1.851 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 -4.282 6.571 -2.978 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 -7.440 -0.613 0.116 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 -3.648 -4.033 -6.917 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 7.043 -23.587 -14.414 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 2.882 -12.328 -7.929 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 -0.172 -2.218 -0.503 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 -5.558 5.803 -16.856 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 -5.277 -13.853 -7.071 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 -4.526 3.793 -3.211 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 31.588 -16.843 1.086 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 -10.420 9.870 0.256 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 0.422 1.451 -2.420 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 -1.370 -4.531 9.736 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 9.951 3.830 -3.275 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 0.309 -2.186 3.993 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 -6.878 25.079 -7.180 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 -10.009 9.555 -11.354 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 0.578 4.499 -1.520 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 -6.197 -15.887 -22.795 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 -6.953 -9.994 -9.257 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 1.590 4.333 0.512 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 16.769 -0.277 24.327 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 1.901 4.592 0.135 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 -0.293 -10.828 3.739 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 -3.868 2.601 -1.946 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 12.813 -31.650 4.930 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 -5.305 -0.105 -0.154 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 10.247 33.285 10.780 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 -11.528 -13.647 -6.251 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 0.200 2.731 4.206 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 -12.080 1.679 5.809 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 0.426 5.367 -17.648 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 -3.233 3.766 -6.213 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 -0.210 -4.087 1.556 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 -7.608 -19.415 11.396 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 -6.178 2.262 0.917 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 0.235 -0.422 -3.456 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 -20.324 10.771 16.448 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 8.584 -8.576 -0.951 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 -8.424 6.387 1.983 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 2.262 9.148 -19.600 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 7.507 4.546 6.323 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 -3.889 -7.929 -12.742 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 20.588 17.673 27.044 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 5.243 2.262 2.542 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 10.601 -1.117 -0.033 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 -1.984 1.625 5.968 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 0.925 -4.529 3.343 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 -18.016 -2.840 8.702 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 7.042 -6.636 19.221 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 4.185 -2.359 1.404 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 3.536 -6.801 -1.291 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 4.873 -17.782 -3.682 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 -5.946 -4.839 3.397 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 14.567 2.411 16.013 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 -3.094 4.921 -8.580 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 6.680 0.308 3.449 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 6.605 6.682 15.767 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 -9.329 -4.411 0.886 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 -7.051 -3.765 -4.132 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 -0.899 -4.213 3.356 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 6.383 -4.953 14.083 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 0.684 9.003 -2.497 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 -3.616 10.434 -5.754 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 3.374 -22.907 -9.453 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 2.300 1.114 -6.259 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 -6.306 8.945 -14.143 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 -6.371 6.345 -12.823 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 -5.037 -5.183 4.704 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 -7.490 14.068 -4.456 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 -8.040 4.966 -6.991 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 -2.613 -3.688 2.100 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 3.870 -6.329 7.561 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 -17.242 -0.131 -5.963 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 4.076 -3.323 0.759 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 6.846 10.208 -0.022 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 4.227 -10.526 17.529 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 -2.240 2.626 -1.135 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 2.022 -9.642 -13.077 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 -2.057 16.403 2.254 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 -0.113 11.724 -2.945 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 -6.320 7.789 5.482 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 -3.366 5.559 18.485 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 0.913 -5.865 -1.658 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 16.073 -27.870 -11.126 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 -12.266 -7.489 -5.655 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 0.992 -0.733 -2.763 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 -4.433 0.503 -2.770 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 1.842 -3.296 -5.965 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 0.188 1.116 3.770 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 -0.607 0.648 3.899 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 6.309 18.231 -6.373 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 3.724 2.878 0.070 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 11.582 -5.136 11.059 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 12.102 1.746 12.954 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 5.268 3.584 5.130 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 -0.800 21.489 12.460 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 -14.020 -37.417 -17.146 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 0.688 -5.580 -5.792 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 -0.405 -5.614 2.539 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 2.978 3.229 -7.472 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 -2.412 -3.577 1.902 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 -5.769 -2.865 -4.022 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 1.829 -1.974 -0.314 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 -4.546 0.283 4.210 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 13.680 -1.185 3.446 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 -11.527 2.600 10.085 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 3.432 -3.683 3.175 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 -5.837 -12.585 11.880 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 -6.749 -8.942 -1.972 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 -4.805 -6.877 -1.702 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 8.252 -3.897 10.038 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 1.622 -6.539 6.548 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 -0.758 -1.753 -0.472 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 10.963 -11.378 -10.098 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 3.184 -5.553 4.864 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 5.512 6.686 -5.032 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 -29.185 -8.431 4.789 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 17.030 8.599 -2.627 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 3.709 5.703 -10.850 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 0.319 18.392 -5.572 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 6.959 9.575 -14.429 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 0.483 4.412 -6.640 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 4.037 -23.614 -16.960 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 -5.874 -18.716 -4.875 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 -9.432 -0.820 1.908 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 20.750 -14.105 4.579 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 -5.435 36.035 20.346 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 -2.840 0.507 -1.114 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 7.175 -11.227 -4.794 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 5.449 18.253 -11.598 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 -0.279 -1.688 -5.272 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 -15.647 -2.213 -11.508 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 4.633 37.645 -24.866 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 -1.659 -5.483 0.971 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 -10.892 5.443 -5.686 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 9.194 19.654 -5.031 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 8.958 0.329 1.688 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 13.617 4.522 -1.306 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 -25.350 -19.144 -0.737 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 6.502 8.924 0.971 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 -18.882 0.973 -2.294 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 -6.993 10.379 16.042 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 5.447 -4.607 -4.116 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 -6.166 -2.547 -1.431 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 7.338 -2.989 -11.663 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 1.303 2.577 -3.504 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 7.881 1.782 0.288 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 1.611 5.394 20.644 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 -10.043 -1.710 -3.404 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 3.294 -9.381 -0.948 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 5.011 15.483 0.257 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 2.625 4.347 0.591 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 11.541 -4.244 5.818 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 -0.198 6.688 -0.900 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 2.617 3.811 -1.359 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 6.049 17.711 -3.030 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 -1.051 2.436 12.320 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 -2.325 0.163 -7.079 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 13.661 -3.269 1.420 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 -13.496 -13.006 -2.219 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 2.095 1.492 -3.473 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 -8.043 9.001 5.585 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 -10.496 4.381 -3.920 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 3.422 3.266 1.523 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 12.090 6.391 13.718 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 -20.909 -14.394 10.411 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 -0.223 -0.547 4.397 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 4.153 3.713 5.565 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 -0.508 2.091 -0.157 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 0.430 3.948 10.992 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 1.143 -1.240 2.931 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 3.610 -0.092 2.861 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 -8.885 -4.024 1.574 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 -11.338 -0.081 4.470 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 -12.515 4.203 -4.567 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 1.380 10.632 -5.137 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 15.619 13.994 23.735 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 1.759 -18.123 0.947 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 4.013 7.178 0.556 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 15.192 0.645 -1.686 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 -2.681 -6.485 -4.136 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 4.886 0.690 1.388 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 29.072 -11.804 2.318 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 2.222 6.300 -10.232 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 3.137 -0.187 3.140 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 -1.649 5.963 5.449 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 4.048 -2.488 -5.867 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 5.285 3.071 -4.292 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 7.903 -4.341 10.809 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 10.994 -7.862 -14.811 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 -2.578 -7.641 -1.724 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 10.247 -15.411 10.439 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 -14.734 -1.044 -6.429 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 -8.515 -0.291 2.550 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 -2.762 0.187 15.117 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 -15.705 -15.936 3.973 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 5.988 4.079 5.058 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 4.010 9.486 3.668 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 6.053 16.428 -2.166 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 4.356 5.794 -1.817 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 -0.231 1.291 -5.220 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 0.369 1.825 -5.381 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 -3.391 -0.362 -0.728 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 -10.573 -2.635 -0.755 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 3.645 0.794 -6.625 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 3.594 -1.192 -2.898 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 16.127 -14.225 -1.704 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 -12.558 -23.399 1.018 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 -1.628 -6.071 -2.421 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 -15.414 -11.041 -22.726 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 2.629 -14.653 -8.293 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 6.966 -4.825 -0.483 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 -3.525 3.472 -18.911 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 10.757 11.099 7.223 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 -3.372 -0.686 6.338 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 2.605 17.204 -6.689 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 -1.019 0.724 -4.883 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 9.619 4.433 -4.010 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 -1.441 2.375 5.376 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 12.086 0.707 -3.359 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 2.285 -6.738 -6.783 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 7.118 -14.073 -16.750 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 14.353 5.696 -7.118 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 9.829 -0.994 4.056 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 10.705 13.566 9.360 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 9.191 0.825 7.599 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 -10.405 4.660 1.701 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 -28.251 -3.635 7.086 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 -9.169 16.878 12.744 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 -1.324 9.260 -3.841 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 -10.109 -12.413 -1.518 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 28.086 8.772 -17.374 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 -1.940 0.843 -10.069 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 -0.876 1.210 -11.219 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 -22.004 -15.774 22.211 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 1.245 2.469 -3.351 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 -2.481 -27.131 8.482 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 13.196 9.050 -26.094 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 2.656 2.328 1.947 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 -4.871 -14.146 1.898 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 -20.250 -12.884 13.029 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 -1.203 2.115 -6.747 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 -7.166 -0.734 -0.519 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 -0.989 -13.667 0.310 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 -3.184 1.624 -0.237 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 -3.094 -2.830 -9.602 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 -6.156 4.642 -4.418 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 3.497 -10.415 0.807 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 6.172 0.685 3.543 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 -7.764 -11.611 5.915 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 0.038 -1.138 -5.254 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 0.308 -0.542 -6.250 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 3.340 -2.507 -5.328 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 -1.183 1.393 -0.223 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 -1.662 0.568 -0.514 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 11.191 12.968 4.054 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 -2.756 -1.261 0.141 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 15.808 -1.425 -15.626 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 -6.761 2.604 13.920 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 4.089 1.687 -0.748 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 9.679 16.444 -20.362 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 2.433 3.422 0.266 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 -2.605 -0.071 -3.695 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 -5.363 -11.603 -9.631 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 7.615 -3.804 -5.955 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 -8.576 -3.545 -4.530 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 17.153 1.708 -9.655 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 4.898 10.137 -10.335 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 -2.569 10.934 -4.158 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 -6.898 10.195 22.473 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 31.195 8.149 -20.584 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 -3.443 -4.143 6.416 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 -8.068 -6.821 -17.106 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 -2.456 -3.527 7.654 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 4.465 7.128 -0.753 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 -13.223 10.025 -8.783 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 -11.423 30.149 -14.800 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 1.090 4.093 2.300 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 5.101 10.542 -2.352 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 -4.970 -5.733 9.380 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 -6.651 5.033 -6.787 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 1.880 -2.590 -5.584 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 -3.234 3.710 2.332 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 -5.175 -9.158 1.096 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 -4.702 -8.427 10.415 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 -14.758 -31.570 -2.941 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 -4.528 -5.532 -5.701 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 -11.738 6.718 38.560 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 -9.896 3.390 -6.357 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 2.940 1.506 3.637 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 11.352 -14.755 14.686 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 -1.066 19.500 -9.224 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 1.219 -2.890 -4.576 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 -12.055 -10.086 -16.697 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 8.275 -12.803 13.603 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 7.868 -0.077 3.852 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 28.157 -1.252 17.071 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 0.253 -7.425 2.609 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 4.805 4.389 -4.175 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 4.482 3.467 -3.242 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 10.182 3.003 -1.516 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 -2.220 -5.949 -1.673 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 -3.231 -15.655 -21.356 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 -28.986 -8.247 9.231 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 -6.911 -5.457 2.576 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 9.867 -31.724 17.730 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 12.784 -33.865 11.655 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 -1.251 0.497 1.503 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 -12.560 3.930 3.492 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 3.559 8.599 7.386 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 -7.449 -2.270 1.360 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 -13.341 -7.281 -1.677 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 -7.099 -0.910 6.792 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 2.437 -3.448 5.116 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 5.691 -10.560 -7.301 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 1.277 -3.314 1.888 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 -0.559 -5.030 -2.776 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 -4.384 -3.269 -2.002 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 -0.689 -2.824 -7.347 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 -6.485 -2.589 7.215 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 4.204 -9.725 39.492 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 -13.849 -13.291 -9.280 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 -6.369 -9.040 -6.207 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 -20.079 -25.498 12.039 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 34.813 13.970 7.658 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 -2.898 -0.923 0.085 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 -22.580 -5.114 0.571 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 0.258 -4.125 0.308 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 -2.861 -3.028 3.910 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 18.994 0.028 14.190 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 -17.963 7.911 -3.283 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 2.882 1.511 0.125 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 -3.738 3.764 -5.444 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 3.166 -8.718 3.743 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 -8.187 -3.965 1.566 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 -11.115 -7.787 13.870 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 -26.032 -2.566 11.080 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 -1.877 7.115 2.824 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 6.652 0.884 9.285 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 4.973 -19.139 6.501 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 0.938 5.418 2.738 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 -8.911 15.924 3.025 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 -6.281 -5.867 8.114 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 2.399 -1.178 1.012 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 -20.063 6.615 -24.879 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 -12.392 0.641 -16.105 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 6.368 0.488 -3.251 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 1.861 3.424 -1.347 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 -10.813 17.875 2.516 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 0.426 -2.998 -6.645 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 -6.303 -0.562 -13.920 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 19.100 8.798 -7.167 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 -1.312 0.976 -4.532 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 -11.063 0.851 -5.138 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 2.691 7.626 6.554 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 2.807 0.254 -1.111 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 9.069 5.773 -4.823 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 -0.742 1.734 1.375 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 -0.489 -0.771 -3.798 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 -7.107 -0.299 -2.601 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 1.220 -2.731 3.622 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 1.342 5.787 -1.462 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 -0.890 -8.492 7.344 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 6.405 0.270 -7.205 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 3.837 5.720 -3.483 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 8.980 16.618 22.911 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 -11.674 -3.466 -13.787 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 -11.201 -6.388 -3.807 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 -10.457 -5.496 16.416 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 -10.844 -3.987 12.427 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 2.737 4.371 7.233 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 -0.501 1.140 -7.915 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 6.150 -6.223 12.704 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 8.626 -0.933 -0.536 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 10.483 6.209 -18.001 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 0.233 15.993 6.544 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 -1.948 3.097 2.133 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 -6.248 0.579 4.979 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 -4.199 -1.735 -1.228 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 -5.105 1.750 -1.372 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 -21.676 15.332 1.717 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 -4.282 -4.103 1.283 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 -2.509 -4.298 3.095 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 -2.951 -8.182 -7.190 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 -2.731 7.636 12.193 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 3.577 0.586 4.999 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 5.073 9.768 8.570 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 -7.162 -18.866 10.233 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 -0.742 -3.399 4.212 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 6.313 46.904 -4.439 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 17.972 -16.615 14.991 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 1.090 -5.704 1.906 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 -1.995 -9.674 -6.953 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 -4.509 0.816 4.003 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 -8.835 -1.959 -0.187 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 11.104 -14.541 1.680 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 13.812 7.640 -8.481 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 0.025 -11.684 -2.443 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 16.176 -1.936 -17.408 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 -8.637 -5.161 14.376 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 2.273 -1.572 -3.463 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 -3.224 -15.487 1.016 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 14.206 -6.259 10.959 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 -0.529 7.472 -6.537 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 -1.194 13.544 -7.951 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 3.499 6.038 -1.159 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 0.408 4.371 3.357 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 1.914 10.714 4.232 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 3.743 1.226 5.826 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 -0.832 -2.167 -2.889 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 -4.409 3.206 6.831 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 -17.468 3.765 -4.114 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 1.538 2.082 -4.734 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 -1.789 10.124 -2.775 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 -7.534 -2.558 -6.381 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 -2.611 3.096 2.565 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 -9.709 5.540 -5.114 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 -11.749 -3.389 19.245 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 4.734 0.327 -3.122 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 0.396 3.960 11.040 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 1.376 9.932 9.922 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 0.246 3.631 4.557 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 -7.627 14.958 -3.142 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 0.420 8.949 9.640 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 -5.788 8.335 5.420 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 -9.541 3.216 7.154 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 0.098 7.156 2.261 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 0.787 8.128 1.664 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 1.077 19.185 9.805 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 14.268 5.739 -7.507 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 3.866 -3.912 -2.962 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 10.456 1.778 -18.322 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 0.352 -17.204 6.470 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 -2.833 3.332 1.205 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 4.503 -4.366 -14.410 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 10.796 1.403 14.197 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 -2.229 -0.464 -0.347 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 14.260 10.542 -0.983 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 -4.049 4.630 10.837 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 2.581 -3.560 0.722 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 -7.603 9.575 -13.187 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 4.511 3.280 13.768 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 -0.262 -2.287 1.460 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 -5.728 -4.554 -0.657 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 24.883 6.975 10.020 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 -1.003 -0.385 -4.966 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 7.993 -7.576 -10.669 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 -13.912 21.106 -20.139 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 9.554 -3.597 3.004 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 10.978 -12.166 -2.126 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 1.243 -12.824 7.431 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 1.181 -1.680 -0.793 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 26.607 -1.186 -17.159 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 17.084 3.839 11.789 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 4.398 1.542 2.729 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 -12.271 12.217 3.363 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 -13.410 9.501 -2.264 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 5.325 4.253 1.597 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 4.930 13.561 -6.521 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 2.560 -14.866 10.918 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 -3.138 1.498 5.909 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 0.992 2.277 -0.945 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 -0.567 2.878 17.233 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 -2.366 -1.563 9.254 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 -12.434 16.539 1.697 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 -3.523 15.427 0.997 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 -2.817 -1.039 -3.522 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 -11.764 -11.950 -0.444 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 -24.355 -20.141 -23.955 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 -4.094 2.686 1.472 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 3.120 -8.601 -28.879 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 -13.665 37.419 -12.521 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 -4.877 -4.695 -6.300 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 -7.642 9.906 -1.037 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 1.458 4.470 16.015 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 -4.715 6.510 -2.778 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 -4.017 13.815 -4.815 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 -12.050 -0.169 -12.190 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 7.890 8.990 1.308 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 0.026 -1.524 7.798 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 17.196 1.681 -7.116 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 -1.284 -6.536 -10.198 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 -0.686 -5.540 -19.443 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 5.617 -25.666 24.834 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 3.898 -2.258 1.961 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 -7.437 -11.682 0.894 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 -0.114 -4.136 0.338 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 5.733 5.791 -0.123 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 -16.885 13.535 6.568 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 -5.114 -4.563 -12.937 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 3.433 -3.896 0.478 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 13.034 -2.083 10.147 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 -3.489 14.047 23.734 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 -1.251 0.831 5.439 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 -26.124 -14.071 34.516 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 -6.133 1.946 -2.505 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 4.303 0.254 -1.255 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 -17.461 1.263 6.459 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 5.729 -25.791 27.868 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 -7.729 4.343 3.009 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 -2.539 9.046 1.396 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 -5.613 -2.371 0.208 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 -0.279 -1.206 0.202 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 11.119 -9.113 -2.777 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 -0.734 0.020 -2.295 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 -0.625 0.219 5.403 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 4.904 -0.558 4.928 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 -11.141 3.578 1.533 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 -1.216 0.651 1.458 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 -0.863 0.020 6.877 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 -0.387 -1.292 8.131 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 1.823 0.920 -1.328 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 -1.974 -21.326 2.954 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 15.452 1.255 -22.457 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 -4.386 3.819 -0.102 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 4.109 -4.009 0.146 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 -5.429 6.206 11.650 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 -1.030 -6.782 -4.778 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 24.129 -9.558 -9.328 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 -9.642 9.231 -23.903 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 -3.122 7.440 -2.787 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 -0.538 -29.901 -2.021 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 -7.563 10.198 -0.602 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 5.882 1.724 6.573 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 -7.312 -9.456 9.869 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 -2.181 -9.289 3.946 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 -0.139 -7.547 -0.493 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 -0.227 -7.760 14.661 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 3.837 -5.260 -19.640 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 7.853 2.008 -1.658 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 -0.494 -4.607 18.064 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 -20.069 5.983 -17.621 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 1.400 -3.021 2.230 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 3.255 -4.435 -17.128 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 -14.310 -10.851 -8.209 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 -2.262 -4.487 4.573 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 -2.427 1.381 1.105 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 -55.217 12.422 -2.946 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 -2.002 0.258 -6.185 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 -21.393 -11.211 -10.026 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 14.251 4.460 0.220 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 -4.331 -0.245 5.244 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 -6.430 12.621 -13.155 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 -4.079 8.380 -6.380 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 -2.743 -1.617 1.410 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 7.543 -5.905 3.847 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 10.989 -5.856 1.941 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 1.527 1.052 1.324 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 -9.158 5.182 -3.181 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 -16.394 12.275 -3.670 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 6.051 4.406 7.024 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 -13.768 8.931 28.407 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 -5.299 -32.391 8.516 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 -4.202 -2.415 -11.333 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 2.680 -3.803 -14.538 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 -7.963 6.999 -6.801 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 -2.237 5.396 2.408 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 -12.648 29.192 -22.416 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 1.372 12.314 0.641 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 -10.275 -2.172 2.296 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 -30.053 -13.778 2.571 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 -0.344 2.711 -1.926 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 0.260 0.635 -3.284 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 -26.790 -21.135 -13.414 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 -2.763 3.332 24.596 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 -1.125 1.034 0.139 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 10.224 11.248 -15.171 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 10.855 -18.194 -11.473 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 -7.114 -4.498 -7.896 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 -5.382 -17.815 -15.136 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 -1.620 19.796 9.570 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 2.404 -2.816 -1.673 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 23.001 5.639 -9.012 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 -3.984 -13.620 4.134 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 2.700 -3.460 -0.337 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 -14.916 5.853 -3.073 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 29.039 -11.282 6.556 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 -3.391 2.417 -2.295 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 3.392 -1.996 -9.831 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 0.338 -1.962 -6.863 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 -0.358 4.674 -2.536 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 -0.048 6.347 -8.120 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 0.302 9.136 -25.872 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 -6.852 6.657 -6.919 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 -4.467 1.880 3.729 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 10.400 -9.759 9.535 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 2.991 4.377 -0.593 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 8.004 3.646 4.334 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 12.971 13.426 -35.907 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 1.554 1.142 -2.000 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 3.213 1.391 -2.965 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 0.694 6.738 -5.245 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 -4.195 4.091 3.581 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 8.473 -5.860 5.634 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 -9.096 0.718 11.245 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 -0.296 -5.976 -0.998 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 -11.128 -5.262 6.628 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 7.869 -5.754 7.087 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 -0.217 -5.622 6.809 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 -13.552 4.264 9.967 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 0.363 -9.422 17.529 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 -0.744 -0.838 2.857 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 -3.905 -0.898 -12.528 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 -5.501 2.419 8.771 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 0.210 4.088 -1.840 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 -30.388 -27.629 -18.377 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 -27.059 32.979 23.671 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 0.586 -2.621 -1.942 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 16.900 -26.851 1.257 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 -5.625 9.079 -2.370 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 0.622 1.553 -1.715 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 7.111 -0.925 1.520 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 6.335 -6.501 -0.579 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 -2.045 -1.465 1.811 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 -3.720 -3.232 5.932 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 2.968 -0.507 0.449 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 -2.394 -3.945 -1.862 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 -3.484 14.303 0.739 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 9.679 -13.805 0.323 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 -1.873 -2.736 -3.349 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 -5.082 -9.574 -24.494 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 5.328 4.580 -0.236 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 2.561 -0.618 1.623 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 16.035 -4.625 -22.534 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 -33.774 -11.698 -1.841 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 -1.782 0.639 0.464 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 -17.081 -13.836 -3.805 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 -10.027 -8.339 -16.449 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 2.412 -1.949 -0.364 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 1.845 -8.595 13.349 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 16.697 -0.379 -2.785 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 7.943 1.379 -0.982 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 18.175 -0.205 -3.848 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 5.187 -3.889 -5.914 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 -3.673 -0.463 -3.250 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 -12.277 13.136 9.440 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 17.702 4.842 6.520 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 -4.460 -3.785 -2.508 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 9.125 0.316 -12.424 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 7.157 9.157 -11.978 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 -4.144 2.483 -1.342 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 2.901 -3.817 -3.922 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 -1.120 -9.113 -15.474 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 1.946 5.670 -6.125 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 11.153 -9.305 3.088 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 8.720 18.867 10.801 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 0.478 9.701 -1.808 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 -6.941 8.529 12.069 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 4.464 9.630 -10.481 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 -3.516 -0.072 -3.102 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 -24.106 14.159 24.816 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 -2.834 -10.873 -10.166 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 -2.966 -3.148 4.673 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 -5.748 -12.527 0.722 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 7.178 7.851 10.044 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 -5.650 2.817 -2.718 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 -3.344 -10.555 -6.967 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 -19.127 2.719 2.756 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 1.318 0.287 1.740 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 0.024 13.635 -5.132 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 8.424 -8.234 9.420 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 -2.778 5.884 -0.765 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 -4.719 3.865 7.883 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 -17.373 17.009 -12.335 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 1.921 3.380 -2.255 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 -23.635 -27.427 -4.635 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 -2.987 3.124 0.872 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 4.998 -3.910 -10.002 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 8.845 14.928 36.093 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 -5.086 -21.082 -15.721 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 4.881 -0.877 -5.795 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 -12.741 -2.266 12.031 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 6.717 1.358 -9.522 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 -1.762 0.819 0.442 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 -28.532 -2.461 20.236 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 -27.351 -11.411 -2.464 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 -2.838 3.365 -0.442 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 4.110 2.723 -2.773 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 -27.673 -2.311 11.808 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 2.038 0.307 1.566 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 11.589 -4.186 -3.500 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 -1.942 -2.428 20.457 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 -1.291 -2.406 0.505 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 -10.936 -25.928 9.466 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 -7.569 -10.705 1.462 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 -9.268 0.958 0.295 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 1.870 -2.246 -14.845 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 -0.302 -1.203 -9.057 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 -8.526 2.358 6.459 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 0.660 11.870 -28.157 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 -12.912 -6.899 26.908 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 -4.052 -0.918 -5.721 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 -11.744 4.213 0.481 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 -3.042 14.477 -11.522 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 1.021 -1.561 1.912 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 -11.566 -29.530 11.933 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 13.013 16.507 -1.571 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 1.130 2.059 -0.944 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 13.155 6.065 6.420 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 -11.936 7.847 8.968 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 -2.139 -6.827 0.787 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 -18.393 5.049 -11.144 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 29.958 13.810 -5.175 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 0.412 0.531 -0.848 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 -1.331 15.501 -1.065 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 -3.074 18.885 -0.519 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 -6.463 -1.131 1.512 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 -2.356 5.387 39.308 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 -9.502 5.988 11.665 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 3.735 -2.921 -1.484 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 5.907 10.624 -7.622 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 2.125 3.827 6.016 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 0.211 8.619 -2.014 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 -10.833 -8.961 -4.800 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 -18.363 -20.770 21.353 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 1.237 -1.154 -0.419 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 15.257 14.582 -13.062 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 14.676 13.960 -3.270 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 -6.009 -3.720 1.718 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 32.611 3.657 -7.836 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 -25.045 1.906 -34.581 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 -4.707 -0.113 1.779 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 -13.212 17.672 4.909 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 -16.499 13.102 11.865 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 -2.463 6.254 3.568 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 -8.747 -8.784 -1.584 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 -13.671 3.038 -9.631 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 -3.850 -0.707 2.798 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 -1.978 6.213 -25.097 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 4.477 -8.028 -12.587 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 0.285 0.279 -4.593 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 -13.884 -17.006 1.019 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 13.735 8.968 1.759 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 -0.935 -3.961 -3.239 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 6.400 -0.674 -0.247 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 -1.650 -4.058 -3.016 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 4.039 2.453 -2.130 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 -1.039 -11.624 3.557 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 -4.349 23.055 -24.233 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 -6.291 2.581 -4.086 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 -16.816 4.073 -22.012 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 -20.137 6.175 11.265 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 -9.962 -4.831 -5.825 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 -13.402 -11.342 -11.409 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 -10.485 -1.675 8.269 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 -3.084 7.286 -6.623 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 -9.626 -19.432 3.243 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 -6.854 7.813 -8.940 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 -1.303 -1.073 -0.684 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 0.430 14.656 -11.629 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 0.559 -1.025 -16.656 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 -0.345 -1.101 -1.031 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 -7.543 13.034 -10.453 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 13.238 -6.757 17.816 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 1.523 -4.885 7.005 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 4.371 -0.803 -3.333 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 12.497 -1.358 -8.970 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 2.133 4.365 -2.659 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 -6.580 -3.927 -19.163 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 37.202 29.969 -10.160 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 -0.799 -5.487 3.061 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 6.598 15.857 4.540 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 -5.613 -13.583 3.296 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 7.227 2.702 -0.973 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 -9.499 -14.942 4.311 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 -10.966 -8.259 9.137 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 0.971 3.341 -0.054 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 0.528 12.214 4.435 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 -5.270 -0.103 4.077 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 2.156 -6.722 6.265 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 -19.169 -9.478 0.807 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 -13.491 10.387 10.446 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 -5.740 5.971 9.307 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 -13.858 10.030 9.967 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 9.678 13.211 7.748 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 7.052 6.661 -5.445 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 -0.173 0.905 -7.656 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 -6.502 17.204 -40.134 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 6.845 2.275 -6.990 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 3.778 3.594 -21.429 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 0.493 0.553 -19.323 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 -1.875 -4.998 2.694 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 -1.801 -8.578 -0.044 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 3.316 11.148 -5.466 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 3.130 2.464 8.305 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 10.486 28.326 13.342 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 11.963 -0.438 10.515 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 -2.941 5.886 -2.312 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 -1.218 7.844 1.531 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 -1.688 4.430 -4.319 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 -0.728 0.283 1.460 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 -9.318 -1.105 1.884 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 6.395 19.321 -1.556 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 -2.236 -3.981 -1.573 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 7.068 5.091 3.304 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 13.459 13.252 3.150 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 2.717 -0.293 -6.661 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 6.385 4.287 -22.512 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 -11.357 18.470 -0.293 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 1.374 -4.851 -2.647 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 -3.157 -11.147 0.777 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 14.036 -6.541 -18.918 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 2.334 3.483 -4.103 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 9.979 11.701 13.877 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 15.572 6.052 -14.717 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 -0.740 -2.906 3.830 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 0.463 -8.504 -0.410 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 -0.928 -1.575 8.001 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 -7.744 1.596 2.907 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 7.388 14.974 -0.455 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 -9.006 12.360 19.090 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 -1.890 -1.069 2.203 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 1.905 -13.523 -2.474 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 -2.123 -1.775 14.732 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 -4.012 1.919 6.174 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 4.118 1.192 0.092 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 -3.207 10.484 9.104 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 -0.539 -2.137 1.869 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 -21.893 15.258 0.307 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 14.322 -22.184 1.901 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 0.382 4.207 -4.305 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 -3.581 -8.201 -7.593 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 -21.258 1.630 -6.292 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 -0.190 1.067 3.152 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 -17.782 -30.086 0.490 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 28.496 -9.324 -11.207 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 0.282 3.907 7.581 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 -0.822 8.913 6.777 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 -0.657 -12.720 -0.561 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 5.851 0.709 0.137 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 -1.424 -14.364 -12.961 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 7.933 12.588 30.721 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 2.878 2.233 2.262 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 35.378 -13.194 0.004 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 -2.812 -0.853 11.936 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 -4.539 -1.759 6.274 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 -3.084 -0.635 8.959 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 -13.286 4.689 9.441 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 -1.720 0.207 -5.309 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 4.523 3.167 -8.710 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 -0.004 2.742 -6.647 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 -1.546 -3.349 -8.670 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 -14.285 4.211 -28.626 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 5.122 19.594 3.855 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 2.619 -2.613 1.024 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 2.159 -9.160 12.488 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 5.577 -12.393 0.904 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 4.388 -9.947 4.054 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 9.302 -17.051 14.066 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 3.942 -8.426 6.518 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 -2.658 -5.351 -0.600 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 -4.935 9.849 -18.864 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 -16.400 -3.395 14.696 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 -7.388 2.028 -5.449 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 -15.629 -23.856 -17.062 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 -11.023 10.530 -5.894 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 -0.925 -0.579 -1.601 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 8.996 -8.537 14.641 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 -12.508 11.696 7.854 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 -0.103 -3.503 5.341 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 -6.194 -2.098 -9.168 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 16.303 15.890 -2.341 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 -4.699 -5.808 -8.698 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 -9.727 -30.939 -16.946 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 13.432 7.871 -9.463 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 -1.974 1.032 0.745 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 3.516 0.767 -12.328 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 -30.409 -12.644 11.729 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 -10.109 0.354 -2.130 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 -13.014 -15.385 -16.449 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 -19.228 16.448 -10.232 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 -0.887 -0.207 -3.148 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 41.580 3.364 -18.849 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 -9.318 18.143 18.664 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 -1.671 -1.659 2.359 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 -6.363 -7.106 -5.362 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 -2.453 -2.330 -2.070 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 0.789 -5.189 5.504 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 -14.832 -29.345 18.577 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 23.092 13.317 13.615 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 -3.890 -2.799 2.561 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 0.423 -2.618 0.892 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 4.430 14.234 -5.009 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 3.286 3.114 7.242 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 15.509 23.008 19.100 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 0.614 -1.538 4.690 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 -0.557 4.321 4.850 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 -0.926 -2.389 2.031 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 8.771 -10.058 6.298 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 1.974 -0.827 2.816 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 -3.452 3.653 -2.113 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 1.054 -7.782 -0.258 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 -0.650 0.309 0.786 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 -4.409 -3.854 -10.941 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 0.859 4.342 -6.366 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 -6.526 10.554 -2.726 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 -6.423 -1.592 -1.183 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 16.868 7.507 -15.097 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 -0.664 -9.545 -3.490 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 -3.875 -13.013 -4.948 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 -9.686 -10.929 -1.475 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 0.980 -1.500 -5.807 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 5.894 2.937 0.660 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 -0.753 13.969 -10.191 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 3.598 -2.032 -3.355 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 11.747 -10.050 -7.218 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 -5.698 -3.609 1.044 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 6.495 2.143 -1.879 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 7.979 -24.511 2.665 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 5.544 -12.901 -1.129 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 0.361 8.997 -1.142 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 6.789 -4.711 11.536 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 -8.120 45.289 3.598 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 0.248 -1.916 -0.897 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 14.998 18.876 4.206 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 -16.863 -7.468 13.446 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 6.329 -5.536 -5.407 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 23.698 -1.693 -1.944 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 11.411 -5.778 -3.701 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 -3.360 3.008 -0.954 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 7.151 9.344 2.974 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 2.506 7.405 -12.939 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 1.693 4.343 -2.780 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 -25.284 -5.340 -33.243 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 -3.106 -18.156 -24.645 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 -1.913 -0.355 -5.456 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 12.213 -16.525 2.537 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 -6.158 17.490 -0.556 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 1.869 -8.397 -2.594 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 3.606 -7.970 5.363 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 -5.434 -3.633 -2.802 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 4.932 -2.690 0.831 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 15.411 0.288 -0.344 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 17.337 -10.701 4.714 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 2.177 0.546 3.979 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 9.173 2.932 12.634 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 2.787 -16.402 5.180 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 0.608 -6.380 5.707 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 6.432 2.993 13.417 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 15.107 2.375 14.097 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 -6.178 -0.892 -5.004 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 -10.472 1.921 -15.305 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 5.224 -6.612 -6.157 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 -2.952 -0.711 -2.862 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 -2.561 -18.414 -8.320 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 -19.587 -13.693 1.767 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 -0.100 3.509 -2.334 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 9.407 25.676 -11.307 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 -9.584 -10.411 3.314 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 3.227 0.009 0.531 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 7.378 -3.911 -13.106 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 -1.898 -6.484 5.055 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 -0.287 0.876 -3.051 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 -5.763 -2.867 -1.891 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 -24.199 -14.928 -6.803 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 0.236 -1.177 2.759 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 -8.337 5.117 23.545 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 -5.643 -8.115 -5.814 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 -9.144 2.064 -6.224 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 -12.931 2.544 -2.597 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 29.031 9.180 -13.644 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 -1.141 -2.596 -3.060 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 -14.083 -24.673 -3.129 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 -6.918 -12.781 -9.192 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 -0.896 -0.067 -8.356 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 -22.494 28.575 29.754 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 -17.913 -17.805 -38.411 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 -2.960 -1.950 -2.924 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 -0.725 2.406 -7.914 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 -7.032 -4.030 7.918 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 5.703 -1.011 1.058 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 10.391 -6.545 12.053 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 9.297 1.496 -3.567 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 -1.018 -4.238 -0.213 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 -11.067 -15.841 9.354 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 11.195 27.384 -0.790 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 1.673 -1.533 -5.436 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 10.506 22.557 -12.805 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 -9.246 6.132 -7.328 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 4.942 3.144 8.989 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 10.356 2.578 19.781 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 5.161 -1.574 21.837 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 -0.479 -2.348 -1.287 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 -3.838 -8.488 -3.965 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 -3.083 -2.215 5.781 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 -3.977 -3.161 1.061 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 -1.978 -11.455 -9.283 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 -4.488 -1.172 7.130 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 -2.406 4.646 5.954 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 26.146 -12.945 -26.565 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 -5.682 -3.789 1.409 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 -1.312 1.556 2.557 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 -8.820 8.360 -2.139 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 8.038 5.534 -0.410 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 -0.331 0.367 -5.083 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 0.453 -5.354 16.038 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 6.135 -17.998 -8.006 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 0.748 -6.225 -7.023 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 13.318 -10.038 -19.196 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 4.185 1.308 -11.475 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 2.453 -1.598 2.101 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 -2.424 -2.045 2.932 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 -6.805 -4.576 -11.200 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 -0.755 5.090 -4.344 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 1.896 -17.233 -7.380 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 -6.048 2.585 18.983 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 -1.708 2.049 0.324 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 -1.124 2.408 -0.161 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 -3.763 -1.527 -7.826 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 6.123 -7.033 4.210 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 8.078 -9.256 14.488 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 4.149 -6.348 9.519 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 -1.992 -2.631 -2.628 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 -1.034 -14.693 19.110 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 5.790 6.696 -9.485 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 0.631 -4.236 5.316 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 4.311 -5.665 19.915 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 -23.282 7.514 -20.318 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 3.279 4.858 -5.450 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 0.137 1.290 14.083 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 1.773 -13.335 -16.102 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 0.176 1.410 -0.191 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 -25.516 13.186 16.557 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 2.368 2.326 -10.743 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 3.759 6.426 3.042 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 7.859 7.986 0.952 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 -15.637 6.486 -20.327 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 -3.212 5.493 0.601 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 7.582 13.326 -6.049 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 -15.468 -3.447 6.600 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 1.560 -1.408 -3.091 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 -4.897 27.612 9.731 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 -1.776 11.149 -1.767 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 0.440 3.430 -2.633 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 5.242 20.888 5.055 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 8.309 20.372 -2.758 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 -1.169 6.079 2.656 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 -6.409 14.022 4.819 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 12.985 15.052 7.730 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 5.321 0.402 0.282 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 -10.389 4.653 -7.845 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 3.062 2.888 -10.024 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 3.210 -2.548 -1.564 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 -15.708 11.980 -19.223 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 -22.497 8.730 1.702 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 -5.853 2.433 -3.279 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 -4.136 -16.795 -10.919 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 -4.576 25.039 7.536 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 -6.462 -5.544 -4.266 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 -3.041 -2.835 -7.504 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 -10.231 0.701 1.246 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 3.581 3.759 0.931 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 12.217 5.617 -3.528 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 12.252 9.296 0.823 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 -1.556 0.843 2.621 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 28.125 -27.244 10.002 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 -2.519 2.954 2.321 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 3.802 -0.732 -4.832 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 2.837 0.339 -3.063 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 2.834 0.411 -11.469 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 0.316 -2.676 -0.063 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 2.828 -3.371 18.050 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 16.484 3.359 -6.324 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 0.281 -4.903 -4.366 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 -8.715 -14.619 -10.852 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 9.022 7.859 0.249 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 1.130 -2.958 2.331 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 -12.059 5.185 19.982 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 11.739 -7.905 -9.439 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 -8.637 1.242 5.464 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 -12.836 -8.387 -4.260 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 -5.240 -8.048 0.051 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 1.234 -4.195 4.864 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 -1.737 1.945 -4.163 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 -0.588 -2.576 0.806 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 4.610 -5.877 -3.304 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 10.412 5.371 8.891 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 0.474 -6.326 -13.683 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 5.191 1.436 -0.515 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 13.705 6.076 -5.341 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 -0.790 -9.741 5.723 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 -0.661 6.310 -2.513 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 3.345 -9.549 1.368 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 -1.435 -7.956 9.915 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 -5.439 5.760 3.722 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 -4.614 3.006 -0.625 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 17.232 3.616 2.890 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 1.425 -3.167 -2.103 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 -1.907 3.852 2.196 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 -1.751 13.954 -7.842 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 -7.172 -1.452 -4.589 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 -11.841 -23.457 19.211 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 -5.849 -16.730 -5.661 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 -3.648 -0.787 -4.347 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 7.747 5.416 3.344 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 1.317 -0.381 -0.911 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 -1.298 -1.261 0.346 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 3.938 -8.689 2.015 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 -11.209 2.476 -2.765 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 -3.119 -3.363 -1.671 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 -12.648 -0.631 -11.838 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 -5.120 -22.197 -0.129 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 -5.090 -0.376 -3.673 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 -7.300 -0.884 -2.744 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 -12.237 -2.316 -4.411 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 0.178 -2.208 3.359 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 8.348 -12.693 9.877 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 8.412 -15.486 -8.909 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 -4.952 -2.629 7.743 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 10.978 12.550 16.191 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 -10.832 0.611 -4.193 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 1.659 -1.027 -0.407 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 -1.895 -0.388 -10.913 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 -2.081 20.147 -8.285 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 0.685 -5.885 1.977 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 -20.470 -15.508 -4.735 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 -6.845 -8.621 -19.763 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 4.404 -1.937 -4.369 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 9.167 9.301 -1.420 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 14.318 -4.283 4.294 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 -2.573 0.062 0.062 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 -5.120 2.932 2.463 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 0.359 -0.762 2.860 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 -1.523 -8.680 -1.771 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 -14.047 4.865 -4.775 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 -5.522 -3.318 -12.426 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 -0.650 -0.906 -9.146 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 15.168 -8.068 -17.474 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 -11.030 4.803 -8.041 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 4.112 -0.520 -3.021 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 -1.576 15.794 7.904 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 5.195 -1.851 -4.747 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 -4.740 -4.571 -5.112 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 -16.474 -6.537 4.873 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 17.229 -2.490 -22.873 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 1.143 -2.648 3.078 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 -2.335 2.319 -6.647 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 8.465 9.802 10.520 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 1.230 3.645 -1.413 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 -17.855 -2.360 1.406 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 0.059 21.175 -8.046 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 1.537 3.478 0.381 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 -0.790 18.192 1.495 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 -1.257 -19.318 20.542 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 -2.515 -3.370 0.487 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 -15.654 13.325 27.069 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 3.047 -10.712 7.594 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 0.015 7.028 -2.092 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 -4.305 14.985 19.418 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 -11.296 9.675 -9.023 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 3.576 7.348 -1.226 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 -21.864 24.638 -10.377 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 12.408 -13.004 0.528 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 6.595 -3.650 -3.279 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 15.186 -1.529 3.925 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 10.369 6.635 -7.589 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 2.028 2.705 0.807 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 -11.959 -0.869 31.187 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 17.835 14.390 -13.913 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 -1.440 4.375 -0.822 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 -2.513 0.411 -4.201 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 5.590 -0.172 4.438 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 -2.965 0.804 1.749 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 -23.019 5.302 1.211 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 8.244 2.532 -11.469 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 -1.044 -0.146 0.601 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 12.089 -33.624 -3.634 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 -4.068 -8.648 -2.014 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 -4.560 1.725 1.139 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 -4.034 4.869 -8.083 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 0.590 -2.007 14.265 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 -8.003 2.262 -7.543 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 -3.393 -7.992 -5.849 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 -9.213 8.257 -11.489 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 -1.110 1.392 -0.428 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 -25.484 -15.106 -46.414 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 13.786 9.339 1.097 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 2.561 8.182 2.407 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 -14.759 39.798 0.141 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 -22.615 -17.583 3.687 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 -5.199 4.985 4.264 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 -11.912 6.058 15.750 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 2.541 -18.789 -1.730 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 3.646 1.963 -2.031 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 1.858 -2.984 -0.902 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 5.498 -2.648 -9.000 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 0.113 11.055 1.356 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 -12.111 30.624 22.918 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 -7.050 -18.533 -8.128 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 12.052 1.145 -3.882 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 4.673 11.981 4.055 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 -8.745 7.274 7.319 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 -3.981 -3.649 -2.036 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 -12.843 6.056 -13.838 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 11.339 -1.996 18.053 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 0.189 1.513 3.970 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 -18.550 24.835 -15.061 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 6.792 4.832 29.261 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 2.094 -15.370 6.874 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 1.473 -15.145 6.335 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 6.911 -27.026 3.592 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 3.005 -2.621 0.703 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 1.577 -13.974 -23.123 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 -6.389 26.671 18.471 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 5.731 0.004 5.474 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 -0.915 21.893 9.126 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 -2.600 0.796 32.029 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 -2.809 -6.279 3.953 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 -23.939 -8.680 0.818 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 11.736 -3.698 6.365 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 -0.307 2.205 1.505 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 -18.940 -0.979 -8.835 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 16.557 -6.155 6.682 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 1.450 -4.918 4.618 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 -3.288 2.643 -2.979 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 23.128 15.221 -2.210 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 -0.949 8.581 5.912 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 -8.835 7.134 -24.273 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 -8.199 7.427 -22.399 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 -0.791 -5.569 -3.974 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 7.180 -1.111 16.890 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 -5.473 -11.775 -15.017 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 1.259 -6.862 1.202 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 -35.127 11.456 -28.682 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 3.612 2.115 -25.589 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 10.182 1.937 1.598 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 2.150 11.715 2.921 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 -2.670 -3.446 2.029 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 -0.638 4.025 1.188 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 -16.557 9.101 -19.463 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 3.425 5.503 4.356 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 -2.805 -2.538 1.139 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 -4.148 6.657 -17.862 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 9.047 -3.648 6.729 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 5.359 -5.012 -6.517 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 6.104 -0.490 -14.493 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 13.881 -10.065 -11.731 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 -4.562 1.373 -0.777 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 10.503 6.628 9.671 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 -8.940 14.293 12.929 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 4.636 -3.686 -0.481 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 21.784 -0.172 0.341 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 -6.615 10.581 -5.924 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 -1.837 3.415 -1.969 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 14.525 -12.024 -7.969 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 -7.447 10.096 -11.637 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 -1.509 2.668 3.660 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 -10.112 -14.409 -19.242 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 -32.362 -1.148 5.409 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 -2.674 -4.680 3.336 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 -11.275 1.572 8.404 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 -7.396 -16.316 2.308 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 6.423 1.357 3.558 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 -5.854 4.747 16.472 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 -3.323 -14.382 -17.178 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 -5.007 -2.357 -2.614 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 3.699 7.515 5.118 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 0.081 -0.326 -16.383 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 0.499 3.862 -0.125 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 8.230 11.097 -24.416 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 -15.453 -1.752 -2.969 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 3.931 -5.657 6.055 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 -0.693 17.375 23.702 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 4.794 -11.495 0.630 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 3.914 -2.613 2.008 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 13.659 6.166 7.124 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 -6.898 4.304 -0.871 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 -1.913 0.927 -2.042 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 1.066 13.160 -2.660 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 -3.595 -3.808 -1.192 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 4.076 2.448 -2.772 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 -22.840 -8.418 -19.416 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 -22.286 -3.528 -0.686 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 -6.012 -4.527 1.441 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 -6.495 -11.009 2.167 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 -15.118 16.376 -8.973 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 -0.774 6.402 -6.170 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 20.828 -9.927 2.595 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 -2.477 27.722 -0.457 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 0.778 4.090 -0.815 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 2.697 24.055 -24.092 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 -21.363 -10.448 2.606 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 -0.442 -0.657 4.783 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 -0.150 -2.945 -0.765 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 3.162 -9.295 -10.760 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 0.580 -2.585 -1.361 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 6.734 -3.117 -8.514 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 5.547 0.634 -4.676 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 -0.119 -2.903 2.593 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 19.868 0.462 -1.237 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 -2.346 24.815 4.012 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 -1.285 -0.286 -2.409 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 -10.700 -5.946 -19.590 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 0.093 -14.186 10.454 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 -1.323 7.321 -3.111 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 -24.651 3.882 -34.496 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 -12.085 10.252 -29.507 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 -6.580 -0.305 5.056 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 -23.615 14.375 20.783 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 -22.784 2.204 16.702 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 1.124 -2.450 6.894 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 11.181 6.955 5.390 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 1.937 -16.980 -7.065 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 0.420 -7.086 2.134 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 6.493 15.192 1.987 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 3.750 6.690 1.024 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 -1.814 -4.257 0.155 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 -2.736 -4.021 -4.844 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 -5.219 1.818 -0.019 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 -2.348 5.409 -2.277 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 -19.281 2.397 30.001 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 -21.664 3.826 -2.827 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 7.197 -2.307 2.384 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 10.047 -14.359 -7.123 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 -0.537 -11.395 0.688 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 7.508 2.722 5.061 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 20.292 -9.321 -2.694 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 -46.983 -7.302 7.492 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 1.035 9.229 1.092 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 3.454 15.860 1.675 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 6.726 25.823 3.089 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 0.209 1.754 0.349 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 2.975 -4.890 -0.503 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 5.042 -0.085 1.040 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 -2.857 -5.646 -1.545 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 5.279 -12.599 -5.444 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 3.056 -5.847 -1.869 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 2.656 -4.916 -5.368 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 -15.301 12.965 -14.084 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 -7.620 4.919 -10.304 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 -1.709 2.785 2.008 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 -5.122 -10.190 21.296 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 14.253 -0.490 -10.719 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 -5.863 1.162 0.082 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 -1.993 -8.281 -1.611 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 -9.683 -0.854 10.420 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 3.058 1.026 -2.832 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 14.989 17.453 -20.164 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 5.019 -1.023 -4.456 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 0.012 0.186 -0.287 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 -0.042 -0.107 -1.802 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 -1.847 7.190 -13.748 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 -0.857 4.171 3.040 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 22.691 -4.237 49.139 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 -1.237 6.109 4.530 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 -2.898 5.173 -1.524 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 -11.547 -1.785 2.806 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 -3.402 8.051 -10.829 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 1.686 5.791 5.285 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 -0.312 7.785 18.037 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 10.620 10.820 -15.272 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 2.852 4.969 1.918 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 -4.156 0.866 7.467 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 -14.091 26.590 7.772 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 -0.710 -2.914 -2.535 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 4.750 5.619 4.626 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 -5.384 -14.165 2.870 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 7.787 -4.273 0.816 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 2.795 -3.872 17.814 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 -3.762 -8.944 8.882 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 1.112 -0.363 -3.319 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 -8.990 -12.771 -2.003 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 -22.250 7.935 12.186 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 -1.225 -1.733 3.408 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 9.241 3.082 11.516 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 -15.021 -5.377 -13.726 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 -6.616 -5.252 -2.674 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 -8.240 17.987 -34.597 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 -1.506 2.857 -4.344 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 -4.639 1.206 -4.629 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 -3.689 6.516 -2.189 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 -17.031 35.139 -8.922 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 -2.630 -7.880 4.186 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 1.179 -0.090 -2.696 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 -13.450 -4.272 5.723 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 1.407 -1.331 3.431 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 1.431 5.388 1.762 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 9.892 -1.131 5.582 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 -0.728 9.091 -6.744 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 3.939 23.403 1.779 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 -1.312 -2.040 2.877 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 -1.884 -4.823 0.301 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 0.332 -24.184 1.384 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 11.508 -6.821 19.828 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 -0.523 1.494 5.613 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 0.483 -11.691 -5.628 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 0.287 4.714 15.412 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 0.063 4.539 -2.342 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 -10.484 -0.118 0.038 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 9.558 15.261 -18.968 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 -3.722 1.550 4.101 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 -11.099 -6.813 7.445 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 7.513 -6.375 7.503 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 -4.533 -0.339 -4.342 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 -4.050 11.970 19.579 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 -10.326 -0.973 4.006 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 5.430 1.869 -0.996 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 5.228 2.603 -2.549 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 2.373 -1.613 5.065 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 -2.960 -3.422 -2.695 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 7.689 -0.849 29.915 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 6.974 -8.506 12.197 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 -3.591 -1.390 4.840 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 14.784 -8.597 -25.289 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 3.617 2.884 -17.513 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 -1.868 0.549 0.368 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 -15.120 -10.203 -9.467 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 -2.020 8.225 -12.820 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 -2.616 0.803 -1.564 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 7.044 5.507 -16.206 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 -9.835 -6.967 7.751 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 3.939 -1.360 3.286 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 15.784 2.030 14.485 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 12.646 -18.762 -12.807 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 -4.571 0.413 1.936 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 -15.991 -14.797 -26.095 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 -16.598 2.542 16.361 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 3.917 -7.397 4.376 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 -20.822 -1.281 7.118 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 7.800 19.563 2.459 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 3.488 -5.843 -0.149 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 10.437 -10.600 -1.805 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 -13.490 -1.868 -2.978 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 2.829 6.160 -4.882 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 -2.709 16.829 -13.005 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 1.987 -6.400 -15.907 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 -1.974 5.957 2.393 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 5.848 -6.485 -3.727 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 3.819 -20.878 10.689 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 -10.176 -1.180 0.172 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 0.536 -4.559 -4.823 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 -5.221 11.756 1.488 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 -2.729 -1.027 0.669 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 -3.099 -6.860 4.803 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 -28.598 -14.694 14.209 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 -2.736 -3.173 -0.423 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 -6.381 -7.575 10.129 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 5.888 5.285 9.140 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 -0.932 10.072 -0.563 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 -5.559 6.486 5.856 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 -11.984 -2.157 11.454 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 3.277 -0.745 3.628 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 9.280 0.157 3.252 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 -7.455 -5.923 -5.184 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 0.456 -1.741 -8.299 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 -8.206 -4.582 -5.206 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 0.430 4.282 -1.626 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 -3.162 7.189 -1.576 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 -35.838 9.723 6.880 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 13.028 6.532 -5.382 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 -1.668 3.674 -7.421 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 -5.511 4.900 -3.635 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 -3.514 3.053 -6.931 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 0.596 0.912 5.071 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 14.853 6.077 -14.173 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 -22.944 -4.853 20.300 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 2.585 -2.474 -8.868 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 -15.864 1.328 10.998 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 -11.457 -10.316 2.739 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 0.429 -2.007 -7.590 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 1.907 -14.450 -2.761 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 2.643 -1.881 -7.290 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 4.109 -2.937 0.571 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 5.588 3.809 -2.622 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 13.303 2.231 7.301 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 10.868 5.324 1.166 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 35.384 2.558 -8.128 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 1.735 3.303 5.830 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 8.182 -3.780 -1.251 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 7.239 -1.164 -5.362 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 7.821 -5.120 -0.838 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 3.090 -2.878 -3.476 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 -3.806 -5.495 -13.636 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 -6.728 -5.675 -18.250 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 1.833 -8.131 3.252 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 4.076 7.710 5.119 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 12.289 -11.922 -7.478 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 -1.230 -1.068 -2.163 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 -8.598 1.720 -4.510 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 -16.502 27.780 4.596 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 -1.283 6.461 -3.769 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 4.032 13.243 4.482 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 -15.022 16.906 21.167 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 -0.582 1.168 -5.735 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 10.904 -11.208 -20.134 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 3.012 0.837 -7.838 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 2.083 -5.894 -2.410 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 17.097 -14.201 6.502 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 -12.867 -5.033 -15.928 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 5.685 1.485 -5.389 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 4.038 -1.705 -7.077 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 -4.421 19.500 9.659 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 -1.803 -2.478 -0.291 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 45.998 -19.244 -15.482 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 -14.518 -2.903 0.081 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 -4.931 -2.234 -1.741 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 -9.774 -16.727 -18.621 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 -5.831 15.461 12.446 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 -4.935 -1.038 3.865 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 -1.955 15.300 20.480 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 -34.465 -3.255 3.973 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 -5.628 -2.397 -0.936 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 -7.765 -5.728 -3.641 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 -23.806 -13.011 -18.895 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 -3.873 5.787 -0.658 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 -3.344 5.021 2.460 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 -1.157 1.604 11.231 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 -1.922 -1.764 -5.500 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 6.008 -1.386 -5.701 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 -8.619 5.904 -9.171 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 -6.920 4.994 -4.824 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 4.796 -3.038 -5.212 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 -14.420 23.981 6.860 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 -0.301 -0.400 -0.906 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 4.644 7.353 -5.410 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 -10.041 -17.190 4.803 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 -1.644 -3.795 1.248 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 -2.382 -4.038 -7.223 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 -10.859 -7.559 -2.540 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 -7.587 -4.062 1.415 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 17.801 2.112 11.554 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 -5.826 -6.098 -4.501 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 -4.277 0.754 -9.589 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 14.857 13.780 -8.419 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 -3.508 -0.302 -4.354 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 -0.702 -0.128 -5.642 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 -6.420 4.280 -20.167 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 -0.670 -20.363 -28.572 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 -3.393 -1.395 4.250 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 -0.368 -3.086 0.312 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 -2.274 -5.225 0.792 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 -10.015 -1.633 2.351 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 -6.400 1.357 7.245 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 1.429 -6.697 13.223 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 -2.026 -0.888 1.776 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 10.734 -5.339 9.879 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 7.753 18.547 14.601 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 0.775 2.955 1.522 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 -21.079 -18.764 2.120 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 1.603 -4.024 -12.716 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 -3.615 5.145 -0.909 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 16.283 5.036 -7.319 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 -10.908 -16.130 -5.295 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 4.150 -9.736 -5.032 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 -16.766 4.932 -0.270 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 -25.735 4.021 5.866 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 -4.323 -6.726 5.961 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 8.242 -4.124 29.804 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 -12.882 -9.343 -12.010 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 5.113 0.254 0.026 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 2.428 -18.209 5.033 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 20.348 -5.727 -0.909 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 5.808 -7.506 5.137 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 -7.513 -12.739 -2.030 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 5.547 -3.461 3.911 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 2.157 -5.475 -0.512 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 -24.494 2.262 4.247 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 -9.944 0.657 4.138 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 -1.562 -0.540 -7.480 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 5.466 10.540 -6.787 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 -10.114 -8.412 -14.984 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 -0.730 -7.910 -8.594 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 -1.402 -11.496 1.539 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 -3.772 -8.418 -11.686 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 -5.752 2.098 -3.235 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 -6.178 1.698 1.569 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 -9.940 1.373 11.734 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 1.458 -5.705 2.303 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 8.862 -7.071 -2.222 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 -0.065 -8.076 8.101 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 0.357 2.561 -1.927 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 0.855 2.960 -2.280 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 -4.869 -3.497 -10.948 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 3.540 -0.884 3.305 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 2.674 -4.809 2.487 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 0.732 -3.198 27.173 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 2.515 7.661 -3.028 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 -9.702 -1.241 10.430 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 -6.056 20.770 -20.553 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 1.447 2.642 -2.021 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 -1.765 1.643 -1.521 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 -9.199 -6.616 15.587 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 2.369 4.433 -2.350 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 -0.631 6.650 -0.916 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 2.964 0.486 -0.209 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 -1.418 -0.448 -1.142 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 9.900 -3.225 1.789 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 8.141 -3.744 -8.833 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 4.367 3.902 -1.686 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 -25.903 5.862 -2.546 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 6.362 -9.729 16.723 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 -4.770 -3.226 2.255 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 -8.454 -0.169 3.689 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 -12.022 -0.606 -4.673 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 -3.111 -3.503 4.972 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 -3.799 -2.693 0.949 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 -4.024 -4.737 9.954 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 -6.991 0.658 -3.322 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 -7.232 1.164 -6.748 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 -16.629 -8.843 5.656 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 -4.215 0.876 7.899 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 5.586 6.289 23.187 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 -12.837 19.188 2.348 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 2.733 5.709 -2.354 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 3.068 6.881 -1.696 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 -4.402 5.152 -22.863 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 -1.674 0.174 1.107 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 -15.149 3.735 11.257 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 -18.461 11.622 -3.369 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 1.272 -0.091 2.883 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 -14.308 5.386 -11.506 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 -14.913 6.925 -2.296 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 1.168 -0.278 -5.387 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 7.205 7.968 -6.447 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 8.865 19.010 -23.371 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 -1.281 0.536 0.230 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 26.338 -21.129 -18.525 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 0.787 -2.759 -13.825 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 1.483 1.893 1.680 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 -17.657 6.678 -10.533 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 4.025 0.961 0.182 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 3.494 2.227 0.809 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 -10.883 7.705 0.943 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 5.868 8.412 -10.444 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 2.052 -1.980 -5.866 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 -15.022 -10.683 -13.528 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 -13.094 -12.993 2.274 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 2.037 -3.851 -0.921 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 -24.010 -13.402 -22.018 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 6.340 -25.092 -17.199 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 -2.811 2.780 1.604 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 12.844 8.053 1.738 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 -3.719 7.379 -7.266 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 -1.639 5.338 4.613 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 0.799 -2.195 12.338 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 -8.132 8.653 6.110 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 -0.505 1.719 3.689 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 -5.596 -2.159 4.938 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 6.467 8.099 -15.100 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 0.789 -2.101 3.252 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 4.671 7.422 11.885 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 -2.480 5.715 -7.492 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 -3.984 0.244 7.307 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 -0.519 7.194 -3.192 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 -0.246 14.261 -2.821 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 -2.963 -0.018 0.907 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 -19.411 11.664 5.500 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 12.763 -16.085 12.538 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 -2.190 0.337 -2.414 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 7.326 15.251 -0.416 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 11.936 14.846 -3.954 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 -2.029 5.338 5.391 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 4.158 0.922 -8.836 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 -1.211 -7.486 18.370 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 0.203 7.821 -2.153 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 -15.036 2.795 -5.400 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 22.644 18.085 2.716 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 -4.132 0.969 -3.745 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 -11.352 -2.696 12.427 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 8.165 7.893 6.676 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 2.666 -2.028 -0.789 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 10.856 -24.841 -21.935 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 -27.468 -9.035 4.981 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 -1.603 -0.543 -0.225 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 -11.261 10.999 -3.866 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 -3.934 5.543 6.320 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 3.444 -5.121 5.174 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 -2.850 -8.116 14.846 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 4.563 -6.087 12.194 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 0.632 6.370 1.393 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 7.816 -3.604 8.464 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 -7.005 2.288 0.081 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 -2.315 2.928 0.471 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 3.442 -8.747 11.536 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 -19.314 3.237 1.041 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 -2.181 -3.013 7.075 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 -11.812 -0.671 -0.362 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 20.065 -4.603 -0.575 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 -9.194 -5.955 -4.933 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 -7.647 -5.269 -3.777 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 -21.014 -0.606 -1.408 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 2.758 5.795 -6.709 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 -1.285 -0.669 -3.177 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 -10.013 -18.384 5.991 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 1.486 -4.294 6.731 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 22.187 14.538 21.915 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 -8.560 -6.246 -7.895 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 2.160 0.719 -9.585 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 16.271 5.859 -15.839 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 -8.538 -6.218 -17.222 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 -0.112 2.298 -4.542 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 4.614 0.211 -7.402 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 12.786 0.378 -7.194 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 -3.386 -0.034 -2.404 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 -0.196 4.528 -1.701 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 -21.426 -12.934 -10.364 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 -2.753 -0.962 8.198 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 -15.739 -8.183 7.979 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 8.140 -10.569 19.651 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 -2.969 -0.393 3.005 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 -7.640 18.426 -5.850 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 -11.263 0.917 15.604 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 -4.688 -8.998 -6.361 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 -7.532 12.940 6.016 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 23.216 -6.295 -8.670 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 2.672 3.938 -3.930 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 4.517 3.276 -6.268 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 -1.113 4.418 1.133 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 3.121 -6.365 -0.032 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 -3.593 -2.274 -2.767 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 -9.870 24.171 -12.491 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 -2.596 -1.050 2.067 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 -11.853 -3.959 0.902 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 -1.422 -4.575 -0.586 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 2.064 -2.396 5.430 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 0.448 0.938 11.752 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 -13.820 -19.009 8.442 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 -2.759 -7.636 6.469 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 8.882 -16.796 -1.268 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 14.041 -1.355 11.262 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 0.618 -1.969 -0.794 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 -6.365 -1.603 3.987 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 7.773 -1.719 -9.285 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 0.106 -3.147 1.541 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 -0.419 -12.883 3.299 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 -3.046 -20.910 0.366 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 1.975 2.898 -2.817 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 -12.966 1.287 -5.995 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 22.715 -8.156 -10.208 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 -4.632 -3.172 -1.179 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 -3.053 -6.706 -1.729 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 0.246 -16.523 -2.698 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 2.294 -5.734 0.932 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 23.574 -2.836 8.264 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 -10.894 2.893 17.645 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 0.723 -2.308 -1.103 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 12.813 32.535 -28.796 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 8.294 -4.789 9.854 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 -0.687 -1.516 3.592 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 17.191 -21.897 26.496 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 -7.451 3.198 -3.055 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 6.729 10.723 1.930 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 28.661 -7.158 34.332 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 21.506 -13.716 25.406 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 -1.173 -4.672 0.648 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 5.818 13.564 13.361 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 -4.340 -18.623 -24.529 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 -7.856 4.788 -2.248 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 -1.782 3.160 -0.495 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 -9.052 4.786 11.328 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 -2.788 3.462 7.421 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 -0.622 -1.522 1.149 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 -11.425 -16.314 5.123 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 -11.284 3.402 0.274 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 -9.491 14.528 1.964 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 -8.929 1.081 12.146 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 2.601 -5.794 3.477 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 -5.932 -7.117 -6.274 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 -5.439 -8.519 17.765 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 -0.071 5.190 -1.341 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 11.037 -17.668 -23.433 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 -0.756 2.076 -4.457 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 7.496 8.252 7.547 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 -4.434 -10.355 4.486 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 11.166 11.290 4.560 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 -7.129 0.193 -1.839 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 -17.462 -5.895 -11.204 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 9.924 11.922 16.991 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 5.082 2.872 -1.997 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 0.938 4.364 -6.746 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 5.687 -12.041 29.991 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 -5.839 -3.737 9.633 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 10.154 -13.398 21.716 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 -25.207 2.828 0.477 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 -6.009 7.480 3.993 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 -14.513 13.041 10.777 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 23.429 -10.205 -18.800 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 -2.059 -1.233 -0.883 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 -7.135 -0.412 -2.930 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 -19.760 -0.268 -7.123 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 0.631 -4.589 2.982 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 2.580 -4.505 19.556 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 -20.098 -6.755 1.508 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 7.694 0.643 4.831 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 4.792 23.247 18.904 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 -11.071 26.874 -20.409 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 -2.070 -1.531 -4.077 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 -2.499 -8.296 14.109 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 -7.752 -11.118 -16.875 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 -6.791 -4.443 -0.114 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 -5.033 13.434 0.612 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 -16.306 -8.923 -23.827 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 -3.070 1.181 1.151 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 -21.702 0.287 -4.554 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 5.735 -13.541 -12.784 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 1.289 -2.328 -2.798 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 -5.345 -19.627 10.098 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 13.685 -16.405 -17.097 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 1.849 4.848 0.478 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 -5.991 16.182 5.100 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 7.365 -12.829 -2.867 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 -0.677 -1.024 -0.591 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 1.053 1.844 15.236 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 5.568 15.957 9.250 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 -0.148 4.156 -0.149 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 -5.451 -11.385 10.664 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 27.671 -2.255 -2.061 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 -1.034 5.110 7.100 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 8.117 -6.318 5.642 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 -12.265 15.944 17.165 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 -8.676 -2.687 0.907 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 -13.139 3.209 6.671 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 -9.437 -18.269 -8.072 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 -2.892 -9.204 -3.819 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 -2.529 -8.466 -1.266 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 -3.811 -7.889 -5.963 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 1.156 -0.830 -1.626 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 -13.483 14.942 -6.295 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 36.306 1.977 9.232 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 1.305 5.679 1.453 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 -25.775 -7.961 -8.300 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 18.111 13.737 6.852 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 -2.037 -0.786 2.947 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 2.846 6.240 -9.663 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 -25.833 -0.257 -2.555 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 0.625 -2.758 -3.693 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 -1.672 -3.967 2.836 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 -7.388 2.236 -1.953 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 3.672 -2.995 2.700 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 20.276 -15.364 -4.101 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 -6.172 8.189 6.326 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 4.313 -2.990 6.728 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 -0.862 -25.830 -2.520 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 9.334 0.532 6.594 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 3.186 -1.497 0.564 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 6.974 2.177 4.947 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 16.591 10.417 1.424 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 3.245 -6.025 6.265 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 16.975 2.474 10.660 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 16.416 -14.516 19.536 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 -4.793 1.393 -0.791 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 -4.945 4.622 -0.259 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 -6.591 3.115 -0.663 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 -11.442 -3.662 1.031 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 -2.413 -12.622 1.402 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 -11.875 4.590 3.719 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 -2.738 -5.588 -2.953 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 -4.559 -1.752 -2.020 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 -1.320 -7.601 2.178 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 4.650 -1.121 5.102 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 -3.322 3.620 6.842 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 1.609 -9.196 11.509 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 0.219 -0.688 -3.350 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 3.629 22.080 -5.982 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 12.873 7.312 -3.874 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 -0.506 0.632 7.354 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 -24.417 6.475 -10.433 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 17.825 -1.969 -3.866 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 -0.459 9.150 -0.023 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 -16.837 1.941 -6.196 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 -6.838 -8.282 16.641 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 2.891 4.303 1.966 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 -42.723 17.776 -7.617 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 -2.477 -1.277 36.941 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 4.633 3.456 -3.307 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 -24.641 -22.903 -17.717 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 -9.641 -9.222 -10.776 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 4.391 -6.126 -6.012 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 -7.060 -2.035 -13.732 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 8.412 -9.532 -1.732 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 1.286 -0.285 -5.958 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 -0.181 -0.867 2.675 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 -10.267 9.331 -6.718 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 -0.534 -4.585 1.036 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 9.478 30.227 5.708 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 -25.646 -9.506 -32.872 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 -3.661 -6.843 -3.613 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 -11.720 -12.117 3.912 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 -2.770 -7.357 -5.937 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 -1.629 2.035 6.324 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 -7.059 -23.549 7.837 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 8.945 1.958 -2.217 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 -0.297 -8.854 -1.802 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 -1.759 5.240 2.893 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 -8.047 8.720 -8.937 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 4.533 6.387 -5.369 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 12.538 13.819 -3.148 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 1.217 -16.060 -5.539 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 2.073 5.871 -3.033 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 2.289 -3.310 -18.886 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 2.647 3.620 -6.493 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 -8.719 1.436 3.540 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 -10.771 -9.349 9.761 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 -4.904 10.016 -2.772 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 -0.833 3.755 3.861 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 24.434 -13.407 10.814 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 -1.515 -12.041 -14.886 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 1.137 2.461 -1.388 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 5.504 2.717 16.403 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 -5.739 4.339 -3.824 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 -2.796 1.176 11.901 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 -21.798 12.233 4.251 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 3.707 -8.823 16.239 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 1.344 -2.979 0.666 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 -12.306 -0.816 -20.517 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 -9.617 -16.227 13.205 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 -1.121 2.415 -0.285 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 -6.738 -11.769 -5.704 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 12.103 -3.228 9.351 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 4.716 0.469 4.348 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 -14.084 21.026 -29.278 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 5.664 24.376 2.994 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 7.325 -0.145 8.003 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 -7.626 -23.709 16.928 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 29.140 13.114 -15.261 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 0.100 3.688 3.066 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 6.682 15.617 -29.500 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 -8.395 17.065 6.771 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 -5.996 -2.828 0.448 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 1.865 7.641 9.963 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 -17.827 8.449 -16.139 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 4.002 4.745 -6.706 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 6.515 -0.295 -9.841 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 -9.633 11.152 -6.760 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 -1.588 1.929 1.617 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 4.851 5.270 6.625 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 -5.990 2.325 3.540 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 9.154 -0.416 5.049 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 23.191 -1.580 5.924 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 2.102 -1.185 2.613 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 3.017 -3.692 1.380 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 12.979 -5.409 -21.056 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 0.293 23.577 0.542 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 0.513 -1.309 -0.179 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 5.341 -19.969 -29.053 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 5.149 18.309 13.188 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 -3.457 0.497 2.165 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 -29.016 10.616 2.018 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 8.227 12.652 14.365 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 -1.582 1.991 4.142 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 17.593 2.225 34.011 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 -8.239 8.211 -8.300 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 7.917 1.850 -2.040 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 -8.940 5.131 -25.137 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 -12.800 1.334 -26.610 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 1.562 5.990 -1.902 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 26.525 2.217 2.860 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 4.733 1.402 -3.673 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 5.989 2.620 -7.516 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 5.631 9.807 -23.497 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 -5.644 3.616 -0.019 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 1.727 -1.293 4.191 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 -11.259 6.570 -3.149 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 -16.182 8.692 -22.587 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 -2.567 1.764 6.454 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 -9.302 10.908 12.258 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 29.093 -0.348 1.781 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 -0.421 -2.288 -2.618 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 22.928 0.568 -1.666 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 9.509 -1.150 3.198 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 -2.317 -2.253 4.301 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 -3.031 -3.684 -8.624 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 22.238 -11.095 -7.284 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 3.451 -2.171 6.490 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 9.975 17.263 18.218 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 21.609 20.132 -3.611 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 1.888 -5.564 6.456 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 -1.981 -12.681 8.048 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 -2.800 0.878 3.228 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 0.732 -4.639 -3.067 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 -19.471 4.625 1.982 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 3.530 6.752 -4.146 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 -0.329 -6.296 -7.486 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 -11.173 13.721 5.924 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 9.162 -18.846 -19.757 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 -2.975 2.030 5.200 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 12.540 -5.447 0.926 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 -1.317 7.312 -15.192 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 5.423 3.129 -0.988 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 -9.681 4.681 -2.030 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 6.151 -5.287 3.641 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 2.054 -10.627 -2.434 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 14.009 -23.831 19.149 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 12.383 4.726 10.240 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 -1.635 0.100 8.268 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 -13.469 -0.577 3.848 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 -4.288 -0.009 7.261 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 -1.460 -4.534 0.309 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 13.872 -15.194 -11.238 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 -8.635 -0.903 12.201 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 3.670 9.296 -2.363 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 5.928 1.644 3.397 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 6.800 6.636 -4.376 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 -5.635 6.181 0.390 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 -4.585 8.534 5.956 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 -7.665 -5.443 -15.201 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 0.585 -1.161 5.222 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 11.484 15.253 13.599 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 9.705 -16.653 3.500 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 -8.114 -3.951 -0.544 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 -9.950 12.144 13.216 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 -5.222 -13.672 -6.155 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 -0.873 3.057 -5.120 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 14.667 0.079 -22.926 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 -1.196 -25.746 -3.881 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 -3.867 0.825 0.721 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 -2.573 -13.679 -3.915 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 -11.241 5.580 -6.833 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 1.784 -1.208 3.696 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 4.842 -11.623 5.856 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 -11.175 -6.704 15.644 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 1.608 -5.681 7.755 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 1.356 -11.342 13.182 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 -0.513 -2.367 5.967 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 -6.532 1.264 5.485 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 -4.312 -1.984 -16.578 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 4.823 5.568 24.394 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 4.958 3.084 -0.213 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 -17.864 -8.653 1.112 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 5.140 -5.348 18.266 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 2.180 -0.551 -7.304 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 0.741 20.850 -6.874 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 -9.114 -5.385 -7.416 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 -1.518 -0.052 -3.503 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 -1.541 -1.934 -13.833 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 2.037 -9.096 -8.124 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 -0.126 0.372 -2.551 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 15.137 -15.548 7.032 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 -20.307 -15.875 -23.797 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 -1.768 -1.602 -1.179 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 -3.557 -6.574 4.906 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 19.342 -22.982 7.402 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 -5.772 0.219 2.694 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 -1.120 15.953 -2.304 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 0.731 -0.105 -0.273 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 1.444 -2.567 0.038 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 -2.420 10.269 22.357 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 -0.769 -2.837 22.893 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 -2.404 2.935 0.874 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 -11.650 11.558 -32.528 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 -6.679 -4.509 9.722 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 1.207 -1.157 -11.108 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 -10.932 -9.339 -29.173 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 5.032 27.233 -20.432 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 6.276 -4.294 -4.799 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 3.034 1.397 -5.094 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 6.801 -11.238 -5.331 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 4.595 3.571 1.323 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 -4.427 17.167 5.986 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 2.513 -20.420 6.939 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 5.967 -12.200 3.248 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 -6.324 10.083 -16.954 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 12.911 -18.207 7.989 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 1.737 -1.692 -3.083 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 -4.070 -1.716 -20.464 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 -9.380 7.045 4.391 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 3.272 0.914 0.708 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 -2.555 -3.380 -11.290 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 -4.956 0.262 -16.067 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 -1.358 2.044 5.395 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 -4.341 0.885 6.475 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 29.254 1.186 -10.408 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 1.245 0.250 5.033 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 -2.523 14.884 12.113 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 6.274 -15.923 -1.471 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 -6.584 -2.295 7.295 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 -9.033 4.883 6.403 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 12.544 6.482 16.635 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 -2.517 -1.260 4.081 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 1.307 -1.565 1.677 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 0.563 -2.179 -14.878 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 -1.150 5.134 2.783 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 8.056 -14.265 -9.006 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 -5.445 6.433 -17.492 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 2.881 3.482 -5.072 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 -2.098 14.908 -5.671 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 -4.350 -7.761 1.432 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 0.471 -1.497 -0.622 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 -0.907 -1.086 -33.003 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 -6.353 12.001 10.983 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 -6.836 -1.910 -5.166 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 -7.860 0.723 -5.047 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 15.301 19.396 9.841 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 2.368 -1.417 0.996 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 -3.557 -9.099 -0.509 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 -4.728 -8.198 -0.671 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 -8.584 -1.724 -5.433 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 -14.694 1.251 -5.005 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 -18.518 -1.615 -4.259 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 4.526 0.606 -1.614 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 10.340 3.464 -12.448 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 4.719 0.988 -2.332 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 -5.282 6.904 3.445 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 15.064 3.549 -2.967 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 -17.946 -24.028 5.078 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 -2.398 -3.807 -3.776 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 8.801 6.085 15.076 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 3.541 1.320 8.481 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 -0.456 2.847 -0.695 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 12.491 26.605 2.213 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 -13.425 -14.484 5.652 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 4.247 -7.420 -3.204 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 9.733 -3.383 -2.561 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 3.328 -11.651 -1.979 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 3.751 -4.934 3.586 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 -20.649 11.661 8.729 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 8.695 0.700 15.153 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 3.097 -4.908 5.269 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 15.220 -22.282 14.198 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 18.534 -13.125 10.806 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 2.586 4.099 -1.580 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 -0.171 -14.080 5.915 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 0.686 1.600 21.126 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 6.367 1.065 0.838 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 -0.462 8.882 1.382 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 -1.398 -15.987 -1.140 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 -1.614 -7.623 1.310 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 -10.526 4.861 1.694 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 9.789 -12.709 1.781 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 -0.132 0.016 -2.686 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 1.240 0.975 7.958 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 3.587 6.052 -7.369 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 7.379 -3.660 1.196 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 4.898 -5.343 -0.667 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 8.142 -3.158 1.785 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 -0.877 -6.096 -0.211 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 1.350 -10.932 -6.047 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 -8.821 -7.673 0.101 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 -0.044 -10.445 7.010 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 3.343 -13.096 11.820 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 -10.284 1.072 9.390 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 5.818 8.947 3.833 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 10.890 -25.562 7.138 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 11.425 -7.790 5.849 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 -2.252 0.023 -1.318 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 4.223 -8.849 -15.830 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 -0.535 -13.525 -24.914 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 0.447 5.089 -2.263 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 -2.601 5.922 6.875 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 -8.509 8.686 3.047 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 4.305 -1.835 4.798 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 -10.378 -3.702 11.265 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 37.357 1.318 -22.142 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 0.650 -1.639 1.662 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 -16.566 -6.507 16.545 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 1.333 7.180 8.399 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 -2.424 4.971 6.782 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 -6.552 3.626 9.811 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 7.090 -4.528 16.983 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 -1.684 0.925 3.482 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 8.583 7.771 -22.182 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 3.135 10.252 -9.917 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 3.325 4.104 -4.419 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 5.078 20.586 -11.667 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 3.453 4.984 -2.567 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 2.435 -2.207 -4.240 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 -12.444 1.816 14.964 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 -8.729 -20.254 -6.250 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 5.049 -1.098 -4.191 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 3.322 11.186 3.670 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 9.151 -14.609 -6.689 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 4.836 -0.251 -6.685 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 6.516 8.509 -11.627 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 7.945 39.095 -21.523 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 0.534 -2.308 4.838 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 10.405 -11.243 -10.215 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 7.083 -1.892 0.203 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 1.624 -4.924 0.746 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 1.088 -0.229 9.137 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 -6.623 -10.646 3.676 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 -3.351 -5.608 -3.304 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 -7.109 -12.325 4.393 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 6.412 -4.485 2.063 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 2.700 3.537 -4.133 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 0.615 -1.081 1.217 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 -2.654 13.590 -20.418 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 -11.021 0.007 -1.920 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 5.366 13.255 10.351 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 4.712 3.134 -27.371 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 -1.753 3.953 1.976 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 -27.722 -23.310 -4.870 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 18.436 23.747 -19.142 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 -1.314 2.589 -6.817 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 9.706 -1.928 -3.264 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 3.885 0.729 -5.167 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 -3.290 -8.615 0.884 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 -1.296 -21.409 19.303 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 -8.828 1.613 -2.648 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 3.237 2.474 -1.747 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 -0.278 -5.830 13.636 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 -8.678 -3.848 -11.324 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 0.883 4.696 0.137 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 2.683 7.374 -0.785 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 20.058 0.049 1.047 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 3.439 5.487 2.168 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 -5.056 11.365 8.480 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 -5.060 11.826 -2.262 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 5.280 0.277 2.015 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 7.837 1.536 -8.773 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 8.713 -6.450 8.296 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 3.839 7.921 -5.106 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 7.411 12.598 4.995 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 -24.105 5.108 -7.324 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 -5.415 -1.030 -4.773 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 -2.203 -4.004 1.072 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 7.255 -12.876 -18.473 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 2.951 -3.405 2.876 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 -2.838 5.541 13.749 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 -10.778 -11.446 -4.279 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 4.250 -3.211 -0.019 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 0.495 -1.654 8.867 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 -10.787 8.589 1.945 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 2.051 2.564 -5.289 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 6.438 -3.995 -12.773 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 8.828 -0.015 1.988 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 1.563 2.008 2.408 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 5.711 3.668 -1.124 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 2.342 2.745 4.095 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 -5.998 -4.335 -0.851 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 4.727 -13.725 2.975 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 4.471 10.481 6.481 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 -6.506 3.230 -4.868 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 -0.953 25.305 -19.791 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 7.063 -1.950 -1.806 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 -1.759 -3.938 -2.638 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 12.205 -10.768 9.384 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 -10.415 -4.867 -4.774 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 -0.896 0.986 4.102 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 3.469 22.061 7.537 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 -4.023 -0.041 5.501 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 -3.095 7.138 -8.956 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 -12.999 7.364 -3.692 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 -9.351 8.819 -0.608 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 -1.032 -2.384 0.854 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 9.552 34.784 -11.651 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 -8.365 -19.641 -21.005 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 5.460 -0.779 -6.647 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 5.480 -10.719 3.095 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 -6.705 6.379 -4.276 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 4.484 -3.339 -10.078 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 16.533 -22.091 -7.330 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 11.812 -14.675 -8.347 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 -2.578 -4.441 2.619 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 -15.982 2.918 -4.635 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 -33.373 -9.351 31.618 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 0.313 -3.303 1.729 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 5.839 10.925 3.087 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 -0.615 -10.255 -11.554 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 -1.635 -0.867 3.356 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 -9.645 7.181 -12.938 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 -8.775 0.052 -5.999 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 -3.471 5.356 0.844 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 -12.754 1.653 2.612 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 -15.512 14.271 0.888 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 -1.290 10.593 3.479 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 -2.800 3.315 -10.458 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 0.975 17.369 13.697 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 -0.502 -3.721 0.039 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 -3.665 15.174 4.273 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 -19.845 -3.555 -15.611 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 -5.021 7.751 6.664 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 -1.041 19.848 11.583 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 11.500 7.149 -6.117 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 -3.234 5.388 7.477 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 -4.341 -24.710 13.464 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 -10.888 20.247 7.326 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 -1.320 7.296 6.243 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 -2.482 8.805 5.784 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 -3.795 9.388 6.741 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 3.536 1.721 -2.528 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 3.442 -2.089 6.755 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 -14.134 -21.104 -8.106 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 -6.521 -4.940 -1.027 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 9.911 4.588 5.602 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 -13.803 9.664 -19.980 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 -0.978 6.585 3.122 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 -3.011 0.149 -4.191 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 14.178 7.763 -15.792 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 -1.793 -3.312 4.757 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 -4.820 0.919 -4.591 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 0.478 3.870 5.144 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 -1.242 -2.144 0.655 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 -1.455 -21.526 22.122 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 3.238 5.532 -4.814 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 -3.095 1.562 0.101 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 -12.699 -4.746 -26.950 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 38.516 9.100 -0.745 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 -2.289 7.508 9.299 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 -10.850 8.740 0.179 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 -10.627 2.862 7.486 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 -3.863 -4.369 6.264 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 -6.642 -0.088 0.977 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 -3.793 -13.445 2.701 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 -3.157 6.909 -0.578 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 1.459 21.350 -1.462 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 10.826 -20.926 13.848 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 -7.473 -1.853 -1.440 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 -11.019 18.063 -2.397 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 -14.280 -24.294 5.143 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 1.906 -1.259 5.153 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 -4.790 9.387 -1.908 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 -1.798 11.341 -14.601 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 2.456 0.699 6.325 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 -1.197 15.896 6.585 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 23.953 -3.770 -18.130 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 -1.617 -6.311 5.815 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 3.339 25.939 6.769 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 -2.260 16.971 15.868 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 -1.784 3.032 -3.409 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 -12.409 13.845 21.490 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 2.843 7.817 -4.081 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 -8.552 1.154 7.013 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 -8.186 -22.715 13.285 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 4.945 24.043 -29.866 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 1.595 2.768 1.006 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 2.460 3.164 -3.121 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 -12.427 9.743 12.133 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 -0.070 -1.587 -0.600 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 -2.728 13.257 -8.696 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 -0.903 8.411 9.769 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 -8.521 -7.758 -6.042 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 1.941 1.728 -0.390 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 16.056 -2.731 -0.436 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 2.357 0.284 0.735 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 6.040 -8.056 -2.123 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 1.566 8.783 3.310 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 3.802 4.530 -0.313 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 21.096 -23.200 -2.743 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 22.418 1.113 10.522 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 5.119 2.406 -3.465 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 -4.512 -8.102 6.643 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 -12.651 -0.095 -40.170 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 1.466 6.049 5.340 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 17.923 -4.964 23.208 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 0.792 17.894 -14.491 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 -0.996 4.755 -4.788 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 3.390 -1.721 6.528 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 8.031 1.453 -13.995 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 -2.350 0.089 -0.170 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 10.215 19.373 8.148 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 -9.121 -9.196 -1.040 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 -2.960 -2.587 0.864 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 3.828 -20.445 -1.298 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 13.761 7.518 15.131 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 0.264 1.658 5.384 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 6.616 -3.892 2.401 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 -14.287 7.386 -4.475 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 -4.155 -0.941 1.969 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 14.605 -14.132 11.439 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 11.143 -10.524 1.961 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 3.790 2.273 9.633 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 -10.599 -14.183 11.821 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 6.765 0.152 4.582 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 0.133 -3.936 -0.549 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 19.755 -1.990 -1.326 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 -5.687 -2.604 12.008 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 0.641 -0.737 -2.985 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 7.467 0.890 -10.860 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 9.480 -12.877 -7.944 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 2.119 -0.377 1.477 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 21.857 -3.155 -27.861 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 -9.975 2.006 8.960 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 -1.964 -8.223 -2.533 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 -10.615 -15.502 10.018 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 9.853 -15.277 -6.674 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 -0.978 -2.706 -4.778 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 -11.783 -9.906 2.444 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 13.858 7.455 -17.821 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 -7.733 3.995 4.611 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 -16.743 -1.118 -15.456 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 -20.535 10.014 23.744 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 -3.610 3.402 1.945 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 20.986 9.581 3.176 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 -31.453 -8.589 -7.623 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 6.346 5.327 -7.639 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 5.440 -6.789 18.721 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 -20.675 19.149 -5.541 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 0.989 -6.856 2.035 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 14.876 -13.845 9.967 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 -11.657 43.648 -20.956 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 -5.863 6.866 -1.538 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 -9.668 -1.208 -7.297 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 -19.796 15.765 -0.619 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 -1.374 1.279 -2.669 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 8.889 7.746 -6.551 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 -12.719 -17.551 6.434 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 3.366 -0.799 -2.411 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 23.260 4.298 -17.534 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 -0.461 11.516 6.474 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 -3.472 4.137 -9.129 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 -1.121 -3.768 -3.104 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 -9.862 7.632 -6.141 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 1.138 -2.988 7.639 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 2.269 -0.949 4.012 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 -2.228 -12.749 2.375 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 0.285 3.654 2.720 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 -2.532 3.886 0.009 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 2.625 1.468 0.768 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 -5.187 -2.066 -2.397 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 14.001 -4.808 -7.189 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 -14.346 -19.632 0.815 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 5.610 -2.696 -7.702 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 8.585 -33.780 -10.974 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 1.073 9.756 -5.805 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 -5.844 -5.190 -0.524 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 -10.047 -20.020 7.106 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 -6.322 -4.556 -19.051 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 1.349 7.204 0.418 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 -9.099 9.026 -20.731 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 -14.688 15.920 15.011 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 -0.138 4.125 4.798 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 -10.411 1.958 2.347 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 -18.977 1.680 1.651 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 -9.855 1.676 -4.370 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 12.355 4.572 0.782 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 -5.839 14.480 -6.937 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 5.849 3.338 -1.365 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 3.916 -8.591 11.090 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 6.937 6.348 -3.618 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 5.827 -2.205 2.337 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 14.636 8.291 -22.579 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 0.694 -8.490 -4.601 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 11.388 -2.772 -2.716 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 29.123 -1.301 29.701 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 -19.496 1.163 6.646 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 0.732 3.427 0.963 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 -0.516 7.999 -0.800 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 -19.430 -26.629 11.626 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 1.801 -9.365 -0.391 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 -10.579 -8.609 -11.230 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 8.583 0.321 4.355 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 1.827 0.235 -6.439 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 9.200 7.903 -10.330 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 5.364 25.348 -8.355 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 3.852 0.804 1.629 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 8.538 -20.373 -9.110 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 19.557 -1.682 -15.409 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 5.809 1.613 -0.199 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 -0.523 18.702 -24.293 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 -3.006 0.160 4.415 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 -1.716 0.897 -3.318 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 9.989 2.856 6.400 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 -23.031 3.336 2.275 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 1.535 -1.684 3.559 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 1.120 -0.777 -16.688 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 -16.669 9.320 5.380 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 10.223 -2.179 -9.208 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 1.740 11.313 8.128 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 31.646 -18.847 -21.509 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 -2.122 -5.730 -0.767 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 -8.439 -1.062 -12.440 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 1.661 -7.748 3.241 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 1.361 -1.441 1.353 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 19.529 2.412 8.389 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 -6.021 -8.547 -16.383 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 -5.043 1.170 -9.044 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 8.993 7.802 -13.781 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 -4.338 -0.101 8.602 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 -5.275 1.408 4.416 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 3.364 9.277 12.163 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 5.349 27.458 -0.526 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 -0.640 0.727 -1.026 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 5.956 -1.317 -16.413 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 -11.076 -11.259 -12.102 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 -4.177 2.363 0.859 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 -1.076 6.660 18.318 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 5.410 -0.316 -0.500 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 -4.240 4.472 1.189 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 -7.019 -3.757 3.583 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 4.405 -8.898 6.941 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 3.439 4.151 2.643 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 0.224 7.511 0.601 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 1.412 -2.874 10.918 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 3.308 -2.128 5.141 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 -16.272 -22.595 8.992 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 -2.638 5.426 8.097 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 -4.899 7.207 -7.337 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 -7.009 1.492 11.470 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 -24.451 6.973 -4.304 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 -1.595 -6.713 3.211 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 11.088 7.614 -2.821 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 0.118 7.367 17.005 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 -1.075 -0.590 2.676 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 3.532 -0.064 -16.317 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 -25.699 -1.111 -4.350 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 1.151 5.636 -5.202 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 -1.593 1.230 -13.876 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 1.576 11.390 6.196 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 2.434 -5.410 7.013 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 -0.752 -10.943 11.854 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 0.990 -14.282 12.351 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 5.566 0.342 -4.017 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 -10.868 15.312 -22.038 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 -0.304 6.053 22.831 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 -6.310 -4.997 -0.937 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 4.273 -7.031 -8.734 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 2.678 -7.699 -4.822 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 -3.455 2.942 -3.898 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 -4.460 12.163 -5.692 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 -3.254 0.118 -2.505 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 1.146 3.946 5.350 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 -0.713 0.301 14.684 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 2.595 6.521 4.076 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 -6.503 3.523 1.392 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 -12.357 4.949 -9.768 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 -27.074 -5.959 -18.910 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 -7.832 1.018 -4.225 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 1.139 6.294 12.143 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 17.002 -0.734 -4.675 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 5.009 5.503 8.729 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 4.017 -0.335 10.521 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 1.036 3.284 1.042 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 -7.373 2.714 -5.744 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 25.355 2.389 -2.007 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 -13.610 -4.332 -9.278 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 1.438 5.806 2.004 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 -0.189 14.095 -21.550 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 -1.276 5.195 -10.657 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 -1.738 -6.175 -3.435 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 -1.394 28.337 -18.967 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 14.528 6.664 -25.942 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 -4.103 -1.820 0.590 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 -6.004 2.977 -8.722 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 4.234 -7.963 11.819 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 0.897 9.415 -3.203 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 -3.204 11.057 -13.644 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 -14.717 6.081 4.079 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 3.796 -1.212 3.144 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 -3.322 -1.237 0.365 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 24.028 0.179 -20.966 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 0.561 -0.825 2.823 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 -14.737 12.450 18.929 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 -1.449 -0.779 2.836 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 1.431 -1.932 0.953 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 -11.765 -17.105 -11.936 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 9.386 -18.169 -4.860 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 -4.698 -0.391 -1.056 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 -8.366 1.154 -5.517 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 2.516 10.969 9.476 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 -4.975 2.959 -8.352 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 -4.750 3.496 -6.857 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 -19.213 0.135 -16.091 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 1.874 -0.020 -2.359 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 1.978 -1.390 -1.293 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 1.831 2.078 -4.198 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 -1.941 -3.034 -4.742 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 5.039 12.272 7.130 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 -9.923 -1.955 -10.617 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 -1.612 -1.417 -3.271 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 -13.082 -7.379 -14.403 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 17.817 11.488 19.338 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 -0.247 -1.511 -9.581 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 -0.671 -1.117 -17.283 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 -6.857 -0.579 -3.987 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 6.902 4.504 3.372 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 -23.745 18.428 7.350 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 20.644 -10.219 10.191 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 7.266 -10.568 -0.581 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 31.318 -10.103 10.380 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 -28.800 -7.041 1.162 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 -3.273 -1.705 -4.745 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 -18.902 -12.195 -4.671 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 -10.908 -8.667 -1.237 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 6.653 -3.088 0.185 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 -9.013 -0.188 -12.312 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 -17.727 -10.373 -5.873 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 0.766 3.160 9.500 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 4.906 -8.666 7.553 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 -15.812 -1.575 0.624 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 -1.459 -5.921 -3.754 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 -30.552 1.840 38.902 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 6.963 1.039 7.367 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 2.562 0.369 6.966 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 -6.927 -30.560 3.965 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 -19.749 15.107 6.550 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 -4.395 -0.959 0.977 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 -8.205 8.081 1.103 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 -8.672 -9.709 1.663 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 0.230 -7.580 0.690 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 -1.042 5.588 0.416 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 -18.600 -7.358 10.434 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 4.257 -1.638 -3.494 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 9.091 3.334 -6.990 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 7.649 -25.912 -3.065 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 -0.857 -3.799 3.718 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 12.257 4.623 -2.654 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 6.069 1.622 -2.554 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 2.591 3.450 5.699 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 17.706 0.319 1.375 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 10.477 3.508 -5.741 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 -3.152 3.282 -4.514 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 -20.403 26.400 -0.718 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 4.141 6.003 -32.986 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 1.335 2.645 3.055 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 1.912 -6.116 2.850 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 4.262 7.281 -3.724 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 -3.362 7.184 3.986 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 4.486 5.308 4.018 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 -16.155 9.838 0.991 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 -0.223 1.305 -0.999 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 18.974 -24.792 8.617 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 -12.248 3.236 16.835 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 2.310 -0.746 7.697 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 -3.428 22.947 -8.796 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 29.403 -24.760 12.289 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 2.216 -0.710 -1.719 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 -5.203 -6.564 -1.163 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 8.472 0.029 -12.906 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 -3.840 1.673 -3.297 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 18.416 17.499 -10.132 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 -10.701 -2.346 1.718 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 -3.185 -4.559 -3.225 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 -18.545 -5.517 17.002 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 -19.082 4.180 -13.806 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 -3.016 -1.530 4.562 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 -33.539 -1.074 0.258 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 -3.867 -30.176 29.409 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 -6.743 5.775 -8.038 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 -6.080 11.974 4.256 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 4.942 -4.208 0.176 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 -5.177 0.636 8.020 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 -0.290 16.052 1.642 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 -15.411 -17.841 -3.807 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 3.323 -1.081 -4.098 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 -8.386 -11.130 14.415 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 -4.746 -2.425 -1.161 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 -3.235 -1.700 -1.095 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 20.227 5.626 -12.232 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 10.106 11.095 -26.419 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 7.417 -1.385 -0.919 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 9.473 -4.828 0.051 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 17.134 13.446 3.046 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 2.988 1.075 -0.343 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 -16.427 -13.990 -0.107 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 22.279 -17.871 6.303 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 -7.763 -0.418 -7.802 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 13.667 5.770 -11.516 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 -11.775 7.654 -2.643 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 0.605 5.913 -4.012 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 -10.746 8.919 6.045 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 -24.058 -4.695 -13.051 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 -6.186 -3.515 4.559 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 -12.287 -8.018 2.881 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 -9.876 3.105 6.321 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 5.066 8.563 -2.395 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 10.065 12.882 -5.696 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 -12.336 2.695 4.633 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 -2.845 -6.343 3.620 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 0.368 -14.543 3.868 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 -1.848 -11.901 6.474 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 -1.545 2.562 3.575 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 2.658 -7.315 -4.710 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 -2.482 0.708 2.345 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 -5.949 -4.521 -0.634 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 -29.640 -7.093 -2.470 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 -19.105 -2.744 13.787 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 -1.066 -1.619 1.539 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 -6.113 2.156 2.128 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 27.632 -5.519 -5.741 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 3.856 2.501 1.920 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 -2.104 -5.999 17.949 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 5.165 7.778 13.245 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 -4.019 -4.414 1.866 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 3.470 -3.097 -1.955 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 10.552 8.003 18.883 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 -4.088 -10.169 -2.511 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 24.143 -30.134 3.496 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 -24.787 -3.113 -12.473 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 0.625 2.800 3.505 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 11.454 10.622 7.169 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 -11.007 -2.868 -1.259 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 0.569 -4.799 -2.181 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 -20.001 8.915 13.118 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 21.756 -20.031 -8.128 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 0.834 -2.464 5.985 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 4.080 1.231 -4.485 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 -4.482 5.904 -2.044 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 1.550 2.936 9.437 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 2.291 9.876 11.888 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 -17.147 -32.034 -8.163 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 -1.713 1.562 1.779 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 -5.164 2.909 19.412 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 3.284 -1.850 21.241 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 1.007 3.097 6.387 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 12.323 7.229 1.090 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 -1.375 11.739 15.170 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 -2.628 0.386 1.204 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 -15.351 -5.103 -4.956 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 1.923 -6.698 0.461 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 1.846 -2.085 1.367 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 -3.143 9.261 1.551 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 5.060 -9.144 24.936 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 5.040 6.902 2.962 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 -13.633 -8.188 -8.534 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 21.397 -9.626 12.134 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 0.464 -0.934 -3.186 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 10.458 -3.956 6.727 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 9.274 -3.567 10.716 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 5.881 1.348 -3.929 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 -8.587 5.098 1.204 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 2.533 -8.423 -13.744 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 -3.778 -0.982 7.101 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 1.048 -10.665 -7.280 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 5.424 4.156 25.404 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 -1.765 2.892 1.395 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 0.151 4.793 6.279 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 7.947 -10.257 -29.844 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 -4.662 -1.380 -7.007 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 -6.398 -5.858 16.481 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 -3.535 -5.174 -3.043 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 -6.991 2.368 -3.794 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 -10.967 15.980 -8.924 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 3.237 12.011 -2.790 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 -7.516 -6.200 -2.047 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 -2.137 -1.473 16.254 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 -25.294 2.314 -4.998 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 1.261 -2.574 1.899 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 20.310 16.735 2.417 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 19.837 6.266 6.465 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 0.370 3.765 -3.407 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 5.648 -1.255 -8.335 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 15.330 11.786 -5.866 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 -5.204 2.508 -4.733 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 1.047 2.755 5.369 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 -9.345 1.565 2.072 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 1.134 -3.291 7.628 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 0.006 -1.621 7.282 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 -2.569 -14.502 6.907 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 1.292 2.307 -3.690 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 2.657 -8.241 4.220 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 11.342 5.292 -4.480 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 2.602 -0.154 -1.265 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 4.767 11.285 1.302 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 -11.765 -6.261 -2.210 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 -1.382 2.713 3.588 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 -10.259 14.987 4.715 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 -25.169 35.474 5.038 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 -1.626 -6.460 -1.215 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 -24.600 -0.743 -17.659 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 20.707 -17.953 -8.268 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 -3.706 4.347 -0.208 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 6.948 -4.813 1.243 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 16.334 -5.086 9.921 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 7.325 4.598 -3.890 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 -11.184 -2.928 -15.304 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 6.099 6.533 10.117 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 0.546 0.283 5.047 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 0.136 2.206 6.668 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 0.824 3.129 3.197 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 -6.934 -5.287 -4.336 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 -16.858 15.809 8.043 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 -1.142 0.256 -10.207 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 4.117 1.879 -4.247 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 -0.343 5.698 2.244 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 -14.742 6.667 0.628 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 11.561 -3.409 -2.568 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 14.317 -5.097 -10.330 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 4.656 4.895 -2.231 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 -4.221 0.584 5.993 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 -14.798 10.770 10.362 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 -5.011 -1.002 4.071 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 1.294 0.697 -2.649 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 -7.405 0.991 1.850 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 3.225 10.324 -5.472 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 -3.379 1.800 -1.913 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 -2.998 2.589 -1.276 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 -8.868 -2.819 -2.459 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 3.769 0.094 -1.884 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 2.576 9.906 -10.548 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 8.237 -10.069 8.767 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 4.513 4.470 -0.503 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 6.640 15.380 8.008 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 3.362 4.106 -0.757 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 2.363 -2.264 3.424 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 13.192 5.380 6.783 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 1.896 -2.594 -13.931 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 0.666 -0.499 -0.024 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 13.076 3.086 4.285 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 8.227 3.120 -5.785 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 7.293 4.415 1.627 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 -9.973 -22.593 20.256 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 -1.810 -9.752 14.284 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 -1.393 -5.823 -2.218 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 11.711 -23.068 14.165 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 -2.780 -1.770 -8.425 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 -0.161 -2.457 2.964 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 -12.148 -9.529 12.233 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 16.723 12.342 -26.786 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 3.257 -2.763 -1.468 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 -19.002 -3.369 9.941 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 -17.421 -11.903 17.567 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 -6.713 -2.469 2.775 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 13.025 -2.110 -2.205 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 -32.860 0.512 -17.418 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 -1.619 3.402 -0.015 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 2.342 -8.897 5.102 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 -9.147 7.288 14.875 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 3.875 1.315 -6.227 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 -0.190 32.175 -16.286 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 2.451 3.126 -10.113 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 1.968 -1.655 -8.919 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 -2.880 -38.158 7.556 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 0.341 0.039 -12.478 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 -4.925 3.819 2.236 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 0.826 -25.645 6.016 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 -16.616 7.983 9.467 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 -2.558 -0.711 0.430 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 17.911 18.215 3.287 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 -12.693 4.225 -5.359 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 -7.816 0.555 -2.357 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 1.500 -15.766 -4.661 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 3.015 -12.163 -13.035 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 2.060 4.772 -5.673 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 -17.849 -12.105 -16.503 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 -13.244 4.001 4.549 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 -4.107 1.951 -3.517 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 -9.346 -13.481 9.162 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 0.820 4.976 -11.251 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 0.321 1.810 2.423 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 2.989 -26.829 34.638 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 6.631 -10.106 1.648 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 1.000 -1.446 0.780 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 6.667 -11.209 -6.094 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 3.040 -21.474 -4.517 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 -0.504 0.772 -0.874 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 4.358 -12.333 3.260 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 -7.487 4.558 17.973 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 -2.587 0.719 -0.064 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 -6.404 -12.313 -3.483 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 -3.728 10.540 -11.774 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 -0.952 -6.423 -3.832 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 -12.941 -3.394 0.826 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 -10.720 8.083 26.962 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 3.488 1.162 2.572 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 17.267 15.943 1.955 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 -2.594 -2.043 -3.589 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 3.866 2.044 -2.878 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 -9.623 -1.909 4.169 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 11.310 5.785 -6.477 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 3.977 0.709 -7.525 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 -5.804 1.003 -5.111 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 0.532 14.826 -1.400 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 3.347 -4.372 0.891 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 2.695 -20.803 -12.516 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 3.547 5.493 4.422 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 9.296 1.898 3.397 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 8.924 -2.912 0.960 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 9.117 -14.575 -0.831 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 2.892 6.962 1.000 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 2.448 -2.390 -4.303 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 -15.691 -6.080 -0.238 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 -3.180 -0.876 -1.532 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 6.987 -4.014 6.147 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 15.819 -12.450 4.640 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 2.535 1.581 0.699 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 4.020 -15.702 -48.396 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 -14.185 17.530 -22.454 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 2.620 1.269 -4.106 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 9.049 0.820 0.508 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 -1.050 -3.621 -7.251 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 -8.058 1.209 7.165 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 -4.664 8.525 5.976 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 14.307 27.330 -0.445 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 6.031 -4.987 2.191 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 9.469 -18.951 2.305 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 17.601 0.638 3.216 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 -3.070 -3.495 -2.347 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 -10.240 -9.939 10.871 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 -13.118 10.928 -2.043 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 4.284 0.357 -8.442 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 9.878 15.365 -6.045 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 5.244 -10.393 6.881 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 -1.172 -2.750 8.714 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 1.259 12.518 13.345 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 5.138 -2.934 1.981 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 1.364 -4.673 -3.108 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 4.630 9.310 -7.120 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 18.396 2.524 -3.867 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 -5.383 -3.429 -1.746 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 -11.254 -11.473 -16.900 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 -9.442 -11.379 -13.495 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 -1.637 -2.199 0.931 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 -4.515 -22.518 -19.307 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 -18.968 2.038 8.790 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 -7.806 6.002 -2.732 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 -6.099 4.547 -19.101 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 -7.536 6.525 3.279 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 -5.723 -0.712 -10.567 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 3.602 13.106 -5.079 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 10.365 -23.603 10.662 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 -1.049 -0.139 9.294 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 -5.697 -6.703 3.978 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 -9.497 3.201 3.760 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 -5.106 5.607 -0.838 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 -17.732 -1.320 -8.416 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 -7.541 3.309 -8.244 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 -1.274 -3.139 2.386 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 -7.889 5.536 -41.199 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 -28.631 -5.758 0.490 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 -0.958 4.459 4.667 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 -12.641 -6.728 39.039 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 -4.169 -0.981 18.834 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 -5.151 -5.760 -2.178 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 8.429 0.254 12.947 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 -14.462 8.067 -12.721 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 1.052 5.657 -1.339 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 7.247 4.103 5.194 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 16.403 -8.314 12.053 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 -6.330 3.097 2.525 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 0.393 -8.335 2.408 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 -2.378 11.520 -7.341 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 -5.159 -1.968 -2.750 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 -3.522 -3.724 -0.999 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 -7.947 -10.701 1.871 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 4.168 -0.886 -6.123 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 -8.650 17.404 -20.404 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 26.510 -32.093 15.543 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 8.585 2.438 -7.748 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 5.919 -0.577 -0.009 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 12.151 3.769 -19.418 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 -5.583 -0.926 0.879 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 -7.364 -27.887 10.365 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 -4.711 -8.296 4.726 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 -7.305 -1.624 -6.754 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 4.253 -13.822 -14.818 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 -11.215 -2.983 -23.922 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 3.845 -4.014 -3.112 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 -2.339 -9.631 -3.592 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 7.213 -1.063 -10.066 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 -0.413 1.451 1.298 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 2.928 4.264 12.616 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 -6.051 -5.046 -18.413 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 3.308 2.272 0.210 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 1.387 -1.214 -6.234 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 5.585 6.443 5.521 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 -5.503 -2.253 2.597 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 -12.556 5.622 -34.524 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 25.672 11.756 22.926 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 -1.805 -2.562 0.139 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 5.265 -22.055 -5.477 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 22.001 3.406 -13.873 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 -6.823 -0.630 1.127 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 -6.945 3.842 -12.685 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 5.872 -7.336 -12.481 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 4.853 -0.692 -11.261 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 -8.651 -3.104 -1.439 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 9.737 -7.679 2.148 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 1.630 -0.599 1.035 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 -4.049 -8.346 1.914 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 2.972 -3.842 8.717 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 0.301 1.596 -2.000 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 -12.214 21.868 -32.555 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 -21.899 -30.459 -4.853 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 3.556 0.008 5.903 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 -2.537 -4.292 0.064 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 11.380 -5.870 15.893 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 -2.529 -0.871 4.758 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 12.362 -33.591 -0.457 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 -1.796 0.881 3.754 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 -1.636 1.310 2.657 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 -0.291 13.761 -5.814 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 -1.019 4.229 0.739 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 7.229 -4.972 3.390 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 -4.401 -27.608 7.510 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 5.092 -14.815 -6.248 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 1.739 -1.197 0.961 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 -5.990 -17.936 19.606 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 3.190 -7.009 10.959 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 -1.609 1.753 -4.318 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 -0.127 -13.873 10.067 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 -8.249 -18.530 16.376 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 -1.424 0.439 7.053 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 2.486 26.938 -22.023 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 12.162 -1.305 26.895 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 2.366 -6.617 0.502 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 -3.964 -11.381 -22.471 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 -13.049 5.570 21.914 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 -1.188 0.575 -9.186 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 -4.553 -4.142 -2.921 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 15.263 14.324 -16.244 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 3.995 3.522 2.788 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 2.017 -2.342 8.202 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 20.925 8.716 -13.385 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 2.620 -1.675 -3.737 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 23.980 -17.580 -7.898 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 -0.419 -6.545 -5.560 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 0.623 5.547 0.731 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 -10.999 8.600 6.929 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 -3.656 -7.505 -9.549 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 0.368 0.767 -0.357 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 -9.737 14.130 8.485 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 -7.939 -4.759 -6.813 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 -4.313 -1.534 2.366 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 -14.763 -20.906 8.967 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 2.491 21.229 -23.836 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 3.572 -3.455 -2.212 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 -8.247 -6.672 -10.699 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 -10.185 20.738 -13.465 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 -2.268 4.099 9.257 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 15.766 6.582 4.668 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 12.789 -9.508 5.055 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 -0.670 0.645 7.137 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 -3.260 -14.129 -8.367 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 7.474 11.891 12.974 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 1.498 -6.075 -5.658 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 -4.782 11.012 2.267 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 8.909 -18.863 5.210 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 -8.508 -0.949 -0.619 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 -11.045 27.369 -9.532 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 -3.352 -2.344 -0.859 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 1.705 -3.414 -4.085 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 -0.111 -3.262 -0.462 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 35.292 -6.182 17.399 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 3.783 -0.581 2.503 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 2.885 -1.380 -12.058 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 15.070 -11.579 9.885 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 9.345 0.857 -1.030 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 9.442 -35.468 8.853 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 1.544 32.387 22.791 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 -5.054 -0.372 -0.896 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 6.642 0.390 2.338 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 -10.070 9.579 -3.180 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 -1.765 1.772 -5.368 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 17.693 -4.841 -0.987 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 1.400 13.700 -21.130 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 5.541 -5.116 -6.816 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 -4.439 -8.188 -2.750 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 -1.400 9.585 12.268 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 1.422 0.964 -3.226 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 -0.151 5.776 -6.329 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 -2.480 9.545 -6.902 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 -2.961 -2.515 3.551 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 -3.719 -1.193 8.187 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 -3.078 -2.446 -12.768 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 1.809 4.231 -5.160 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 10.953 19.855 2.108 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 1.504 -13.188 -16.704 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 -0.409 -2.684 8.493 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 -9.386 -19.159 12.007 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 18.036 1.780 -13.534 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 3.260 2.112 -3.469 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 -2.202 3.260 -1.604 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 6.740 -0.211 -5.953 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 1.730 1.602 0.418 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 -4.428 -4.307 -2.598 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 24.650 12.144 8.332 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 3.101 1.633 6.515 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 -28.216 9.886 -0.226 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 -0.942 6.652 13.947 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 0.739 -2.182 1.438 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 11.914 -3.456 -2.380 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 -0.926 10.364 -12.893 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 -4.181 -0.200 1.664 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 9.388 -3.179 22.223 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 5.999 4.541 -18.093 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 -4.278 -3.807 4.260 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 0.963 -35.001 12.192 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 2.325 1.030 16.910 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 -0.095 5.701 -1.601 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 -2.662 0.213 20.800 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 -12.226 1.666 -28.655 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 -7.283 2.016 2.003 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 1.751 -11.874 -17.319 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 0.335 -1.846 16.000 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 6.220 -1.923 -4.161 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 5.488 -14.479 3.130 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 2.051 -19.444 8.999 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 -4.860 3.141 4.556 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 -4.092 -0.324 4.334 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 1.266 20.091 8.240 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 -4.325 3.220 2.273 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 -4.555 0.748 0.345 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 -4.442 2.326 1.174 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 0.999 -1.458 2.604 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 3.424 -0.660 -10.353 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 -1.486 6.236 4.756 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 -0.254 0.856 1.478 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 -19.854 6.339 -1.767 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 -27.826 26.795 0.267 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 6.113 1.970 -2.316 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 7.889 1.398 14.911 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 24.023 -0.808 -16.091 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 -2.240 -2.361 1.139 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 -5.001 -2.593 -2.180 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 -12.554 5.558 -20.400 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 -5.441 1.144 -3.582 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 -0.407 -16.061 -0.705 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 -3.542 1.604 -22.915 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 5.158 4.768 4.746 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 11.296 26.536 2.291 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 -12.004 7.453 8.629 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 -0.665 -5.285 -4.574 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 0.247 -0.817 -0.097 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 1.615 0.249 -5.230 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 4.267 2.058 1.583 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 -6.656 15.503 -7.494 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 21.598 -3.479 -3.071 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 0.477 0.648 4.209 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 3.333 -7.433 -15.046 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 1.947 7.536 -15.684 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 1.368 -3.804 2.904 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 -3.248 -6.122 1.302 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 4.776 2.262 -22.782 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 -4.570 -2.880 -2.843 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 -0.242 -5.882 -2.595 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 5.051 13.458 -9.021 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 2.283 -7.481 -1.009 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 21.117 -1.675 -16.407 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 5.819 -2.000 11.654 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 2.315 -2.423 5.019 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 -1.673 -0.174 13.708 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 9.232 -44.513 -24.835 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 5.104 0.639 3.615 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 7.133 -6.050 8.481 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 -3.046 0.807 5.722 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 -4.981 -5.957 4.602 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 -5.725 4.551 -23.195 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 10.459 -9.010 3.620 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 6.506 -2.896 -3.443 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 17.652 -0.505 -6.896 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 -3.297 -6.005 -15.809 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 -0.022 4.294 -1.095 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 -8.097 0.644 2.863 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 2.392 -13.714 -10.979 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 7.372 -9.926 4.033 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 27.249 -8.259 10.892 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 -0.397 -16.591 11.662 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 -2.794 -9.251 -3.763 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 -1.833 -1.187 5.834 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 -1.355 -19.941 2.373 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 -4.588 -0.970 -3.133 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 0.737 -12.719 20.883 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 17.446 -3.703 -23.186 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 6.892 -4.659 0.553 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 -4.542 9.419 -9.628 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 -4.351 -12.684 9.785 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 -0.666 2.183 2.393 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 -21.782 2.190 7.725 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 0.435 1.699 0.591 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 -3.075 -0.950 -5.479 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 7.961 -0.222 -1.645 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 10.973 -2.471 -0.487 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 4.509 2.485 1.340 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 -5.771 1.913 -2.152 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 -4.335 -12.980 1.445 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 2.772 -2.026 -1.294 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 15.314 -6.993 10.380 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 5.263 14.280 -2.228 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 -2.327 -0.662 -2.955 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 34.874 31.137 -23.455 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 -1.633 0.066 -3.820 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 1.533 -2.216 5.204 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 4.885 -3.637 5.182 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 -0.242 -12.375 5.652 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 -0.545 -2.353 2.673 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 -2.207 23.608 0.626 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 -3.851 -0.958 24.115 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 4.036 -2.422 5.587 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 -1.848 6.115 0.778 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 -36.304 10.666 29.261 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 -5.559 -0.468 -0.199 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 -2.634 -6.845 -25.387 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 -0.918 -1.202 14.946 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 -5.241 1.071 -5.015 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 -17.961 -25.683 1.674 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 -9.315 7.003 -21.749 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 0.474 2.730 -4.664 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 4.644 -5.955 -12.106 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 9.513 -13.842 -1.322 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 3.794 -0.434 -4.742 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 9.338 8.238 -32.410 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 1.312 -5.144 8.915 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 -4.910 -3.564 -6.285 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 2.286 -22.421 3.222 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 -1.269 1.982 -5.853 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 -1.534 3.829 -5.771 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 2.246 6.984 -8.048 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 -8.373 13.812 -0.933 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 0.846 -1.914 -0.050 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 13.538 -4.381 9.181 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 6.080 -1.471 8.878 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 -6.773 -5.360 -2.593 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 16.133 -4.245 -5.831 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 -21.999 13.310 11.063 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 -0.229 1.491 1.356 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 8.489 -17.963 1.946 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 -0.021 -5.582 0.111 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 -4.254 -1.777 -4.262 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 1.606 -3.518 -6.971 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 -6.398 -5.842 -1.399 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 2.659 -4.118 -3.173 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 24.567 -15.561 22.344 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 4.611 8.700 -1.438 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 3.554 0.721 -3.684 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 1.918 8.324 -21.668 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 19.424 -9.205 8.485 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 2.379 0.722 -4.278 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 3.967 -0.884 -20.290 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 9.270 1.185 10.651 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 -9.732 2.786 -4.274 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 -7.051 22.471 8.687 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 12.765 -23.196 -1.465 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 3.466 1.194 -1.855 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 8.620 -3.787 20.172 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 16.189 -12.053 4.349 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 6.719 2.351 1.286 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 0.727 1.842 -9.469 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 12.853 3.038 -10.894 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 -4.260 -5.370 -0.458 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 22.146 1.159 -15.372 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 1.404 -18.810 10.187 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 -7.947 3.842 4.188 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 -3.385 -8.958 3.056 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 -4.168 -6.039 3.662 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 5.155 0.142 0.936 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 -14.302 16.206 14.385 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 8.937 -7.977 0.805 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 1.625 0.703 6.797 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 9.762 2.547 -0.344 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 -0.727 -0.469 9.949 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 -0.752 10.607 2.403 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 -9.407 0.505 15.702 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 6.186 -6.465 -11.403 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 2.300 -0.595 -2.649 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 11.707 12.047 8.365 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 7.149 23.513 -9.347 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 3.215 -2.871 6.459 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 0.844 3.636 -0.896 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 3.694 -6.261 4.969 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 7.392 3.164 -4.533 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 -3.461 -6.860 -8.639 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 -17.639 31.751 10.694 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 11.201 6.754 5.325 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 -24.672 -15.011 2.260 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 52.831 -17.877 14.755 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 3.544 -3.394 -3.075 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 -16.056 33.907 -5.760 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 10.513 -9.733 37.246 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 -1.092 1.068 -1.472 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 30.295 10.385 -12.849 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 8.530 3.356 -1.354 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 -0.629 1.356 0.811 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 15.987 16.203 5.924 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 -6.365 -3.571 -2.267 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 -3.623 4.579 -1.486 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 6.899 11.054 -2.301 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 9.290 -11.373 -8.097 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 6.524 -1.768 1.314 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 -20.209 -20.324 -1.472 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 4.815 1.694 7.558 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 -1.110 -0.802 7.858 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 -4.270 5.451 4.071 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 -18.027 -11.152 23.682 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 -5.584 0.280 -6.729 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 -14.136 -0.622 -14.747 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 0.828 1.736 -1.591 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 -4.264 0.598 -8.180 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 -4.987 -11.224 4.514 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 -27.361 -0.818 0.842 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 -0.922 3.167 -2.609 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 5.801 6.616 -3.312 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 7.027 6.098 -2.076 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 -2.782 2.701 3.675 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 -1.650 -20.164 8.282 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 -4.723 -25.352 5.381 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 -0.439 0.765 2.383 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 -16.999 9.680 -8.502 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 -15.009 39.053 10.171 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 6.165 5.337 -1.435 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 10.537 3.668 -20.654 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 -7.720 3.502 9.314 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 3.519 1.474 3.011 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 1.670 7.961 8.241 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 17.985 -16.793 5.591 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 6.145 -5.445 -2.795 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 4.137 10.173 7.900 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 -7.937 5.497 -14.330 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 -7.845 -3.104 4.007 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 -3.170 -12.918 4.927 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 3.779 -0.216 19.921 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 11.644 3.044 -2.440 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 11.195 -5.532 -16.620 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 20.849 13.374 -1.570 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 5.139 -3.712 3.774 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 28.625 0.470 -8.287 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 10.922 -9.666 0.356 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 -1.348 -3.952 -1.221 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 -1.104 8.389 -3.182 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 2.138 -4.671 -13.346 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 -6.258 1.874 -2.797 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 10.027 0.351 -12.212 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 -22.927 15.657 -9.811 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 1.001 -4.065 0.678 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 10.732 -4.710 -3.595 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 -19.645 12.763 19.175 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 -1.462 -5.292 3.810 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 -3.644 -8.080 12.021 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 -17.576 -1.743 13.300 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 -4.295 -1.138 -2.044 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 -10.988 -7.558 -20.525 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 17.221 13.164 -10.814 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 0.771 -3.557 1.576 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 2.983 0.333 -2.258 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 5.273 -2.992 8.414 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 -4.775 -1.201 -0.565 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 -21.051 -16.775 -2.466 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 -5.923 41.510 26.593 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 0.993 0.030 1.338 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 9.142 -2.538 3.926 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 -17.514 3.030 -1.449 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 -1.688 0.787 -3.354 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 7.312 13.959 -11.351 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 -4.476 -1.968 -1.672 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 -12.792 0.291 -6.501 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 2.053 6.706 14.533 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 -10.743 18.559 -0.778 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 -0.540 2.295 -6.003 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 10.177 -3.992 14.079 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 10.751 -3.790 16.076 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 -5.910 -1.625 -5.190 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 2.647 4.686 -9.816 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 0.162 4.729 12.814 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 -1.927 -3.888 -2.868 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 -27.544 -15.546 -14.786 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 -2.635 -2.170 -2.848 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 -4.570 1.574 2.782 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 -1.107 24.597 14.633 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 -0.040 6.304 -34.327 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 -3.400 0.614 6.178 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 -11.730 1.664 4.645 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 2.365 21.884 0.813 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 -8.487 10.077 -4.958 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 -4.666 25.297 -7.813 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 -7.897 -35.131 6.989 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 -9.366 -6.659 1.030 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 11.880 -1.893 9.213 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 -3.176 3.862 -4.282 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 -5.308 11.586 -4.675 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 -1.351 1.107 15.643 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 -7.722 -13.130 28.353 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 -3.228 -0.986 -4.194 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 -23.045 -9.408 -17.742 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 4.956 -4.311 -43.976 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 -0.571 -3.475 2.468 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 -16.728 3.151 13.724 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 -16.897 -15.193 -3.142 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 0.165 3.824 2.209 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 -4.786 -2.304 12.145 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 4.753 -0.290 3.818 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 7.238 -5.983 -4.349 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 -5.114 -15.209 10.768 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 6.308 -12.366 -3.933 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 -8.758 -0.600 -4.355 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 -6.621 -6.476 2.411 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 -4.076 8.693 6.319 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 -6.725 0.505 -0.554 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 -15.271 -13.135 2.461 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 -21.321 -26.870 3.653 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 6.617 1.968 2.128 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 3.960 13.233 -12.013 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 3.406 15.467 10.281 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 -2.464 -2.234 0.089 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 -1.922 15.425 0.550 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 12.099 19.782 -0.008 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 -3.826 -1.672 2.427 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 34.398 9.473 20.290 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 1.353 10.180 2.103 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 5.329 -1.060 -5.875 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 12.162 -12.796 -14.712 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 1.805 9.577 -19.386 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 -7.422 -8.074 -7.231 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 3.601 -16.149 -5.661 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 -13.145 20.534 -14.203 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 4.826 -8.299 -2.408 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 -13.843 -11.638 -14.463 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 21.945 -24.308 -6.242 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 0.114 3.069 -7.406 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 -4.654 -22.830 8.096 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 0.212 -1.519 -7.398 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 -4.118 -5.135 -4.247 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 -5.401 -6.483 8.678 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 -23.204 -7.938 -16.527 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 5.769 -4.614 7.272 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 21.858 -17.439 10.154 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 1.793 -7.089 6.676 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 0.510 2.376 -2.482 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 -0.371 -10.921 -19.911 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 20.024 -3.450 6.603 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 2.899 -1.220 -2.444 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 11.480 21.598 -14.336 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 1.088 -26.554 -8.332 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 1.980 4.897 7.024 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 -3.832 11.942 -1.863 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 -3.171 10.999 -4.121 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 -2.445 -0.574 -2.982 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 -1.681 19.072 5.016 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 -8.679 40.884 29.853 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 -0.480 2.663 -0.369 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 4.530 9.426 6.123 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 19.540 -11.264 8.480 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 7.488 -4.217 -0.214 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 21.037 -9.509 -14.149 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 4.408 1.685 3.972 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 -4.518 -2.616 -4.533 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 -4.679 -7.869 -2.209 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 -4.367 -0.636 -4.428 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 -0.158 -2.200 -0.582 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 -7.168 13.194 13.854 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 -1.464 11.488 17.736 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 3.129 4.711 2.806 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 4.694 12.059 5.577 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 15.057 -8.786 -11.668 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 3.420 -0.731 4.602 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 5.085 -11.634 11.739 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 -1.804 3.987 2.722 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 1.309 -3.189 0.201 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 11.927 -17.615 -8.817 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 -9.097 0.250 0.636 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 -0.292 -4.120 -0.913 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 -1.769 2.142 -8.161 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 -5.543 10.322 -9.828 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 2.108 -2.672 -4.170 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 -10.602 -16.748 5.758 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 -9.024 2.824 8.393 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 1.757 -6.481 0.621 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 5.288 -19.290 2.138 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 -3.176 -5.252 -11.358 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 -6.242 4.609 -0.690 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 -3.682 3.205 14.447 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 -16.708 8.914 -12.170 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 5.556 -0.533 -9.868 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 -5.091 9.643 -8.425 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 8.371 -15.847 2.947 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 0.822 6.995 -1.993 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 -10.251 -16.337 -10.919 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 -2.221 9.339 25.577 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 -3.227 -9.623 -4.176 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 -6.802 1.156 -2.943 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 4.591 -10.524 -11.136 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 -6.799 -0.872 2.905 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 -1.808 2.062 3.724 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 -6.987 2.049 -2.508 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 4.043 2.489 6.091 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 7.679 -8.195 -3.672 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 16.312 11.621 4.047 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 -2.473 0.987 -1.152 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 -7.746 -14.630 15.405 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 -10.511 29.021 -8.710 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 -1.562 -6.017 -3.531 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 -13.983 2.693 11.601 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 6.369 9.123 -11.722 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 4.330 -5.236 7.918 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 8.912 -9.323 -8.746 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 7.593 -7.147 -3.392 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 0.393 2.984 7.383 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 5.407 4.336 1.238 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 3.135 -0.442 -3.520 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 -9.534 3.356 -2.118 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 -21.723 1.896 22.908 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 -4.435 -23.283 -9.418 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 0.529 0.857 10.074 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 9.891 -15.577 11.976 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 -15.468 -3.333 0.127 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 2.927 2.061 2.340 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 20.012 4.273 -12.509 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 -1.287 5.164 -3.014 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 -0.944 -4.041 -4.418 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 1.959 18.667 9.527 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 -1.270 -19.968 -15.404 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 -3.068 -5.344 -1.580 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 9.028 -8.771 -13.081 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 -5.943 -7.158 -5.830 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 -0.185 0.120 1.027 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 -12.807 12.163 8.880 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 -7.036 -12.581 -6.436 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 -3.156 4.546 3.565 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 -2.498 4.824 3.991 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 -2.960 2.509 0.667 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 6.178 0.979 2.741 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 -0.798 -11.853 -3.258 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 -0.154 -15.917 -3.205 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 4.665 1.779 4.316 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 10.698 -0.106 -13.750 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 16.837 8.182 10.108 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 -2.308 1.537 -1.151 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 -10.970 -28.267 -3.222 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 -8.842 -20.488 -2.939 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 1.191 2.755 1.955 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 -3.626 -19.114 7.451 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 11.490 -10.908 5.863 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 -5.322 4.760 6.750 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 -2.513 1.667 0.034 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 -7.919 11.115 12.536 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 -2.342 -1.079 2.995 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 -12.532 24.835 11.107 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 -20.344 -15.198 -10.304 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 4.093 1.735 1.507 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 29.364 4.961 6.945 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 -15.121 -20.304 7.354 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 5.038 -0.424 -0.009 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 5.601 -0.296 3.018 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 4.946 -1.460 2.604 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 6.106 -4.830 -2.732 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 9.743 23.984 -36.718 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 8.946 -0.406 -6.684 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 3.454 -2.194 -2.041 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 -19.036 3.244 -22.699 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 -1.523 -1.232 -6.548 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 1.997 -4.333 2.399 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 3.240 12.839 13.339 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 -2.808 37.378 -21.000 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 4.044 -0.908 1.465 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 -3.047 -6.484 7.546 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 2.534 15.321 6.959 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 6.152 -1.987 0.214 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 25.484 2.638 -17.994 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 5.649 -9.156 21.884 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 1.691 -0.556 -2.423 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 9.980 -6.264 17.468 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 -16.333 5.706 -0.147 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 -3.264 -3.674 1.059 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 -1.776 -0.377 14.917 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 -37.049 3.880 17.499 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 4.128 -2.784 -2.459 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 4.565 0.637 -8.965 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 15.726 -0.373 6.703 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 -2.452 -7.194 -3.805 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 -17.704 -5.375 11.711 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 -1.129 -27.880 -13.313 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 1.784 -3.872 -3.952 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 14.365 18.713 1.057 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 -0.901 5.782 -23.194 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 -4.369 -5.403 8.422 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 7.370 -26.157 30.510 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 18.327 17.626 6.133 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 5.210 -11.293 0.394 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 -2.817 -15.068 6.531 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 -15.068 -18.124 -4.211 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 -0.299 4.372 -4.668 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 -21.500 -1.793 -2.251 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 6.932 -19.241 -7.428 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 0.764 -2.591 -1.240 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 10.026 -13.586 -1.867 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 -4.079 -8.043 -18.587 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 -2.910 -3.238 3.774 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 7.058 -13.671 -1.631 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 -9.054 -0.327 17.728 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 0.208 -4.676 -2.846 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 4.894 -6.199 12.675 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 -5.334 2.275 -5.402 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 -1.307 -7.673 0.956 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 10.349 19.390 -11.672 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 19.450 -1.371 -1.124 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 6.837 9.096 0.072 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 -3.299 0.860 -10.544 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 43.211 -5.957 15.330 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 2.251 -2.477 2.833 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 1.001 8.634 -9.398 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 -10.978 -5.088 -3.290 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 -1.848 2.348 -3.845 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 0.271 3.212 -10.988 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 -4.871 -8.880 -8.885 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 0.426 -3.648 3.934 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 0.449 -2.718 4.212 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 -5.812 3.317 6.682 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 4.351 4.915 3.244 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 -24.316 -20.888 -8.683 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 -19.908 -10.330 -13.877 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 -2.499 3.216 0.872 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 -19.849 0.712 6.504 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 -17.901 18.122 9.266 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 -3.691 1.739 -4.630 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 -30.109 5.760 17.195 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 18.999 15.447 1.959 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 7.129 7.902 0.341 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 5.992 3.800 -10.841 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 16.741 -0.956 5.934 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 6.106 -5.308 0.086 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 -4.822 -10.968 -5.901 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 11.885 -6.815 3.125 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 1.669 3.405 -5.108 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 6.987 -0.644 -7.296 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 -5.033 9.589 9.285 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 -4.299 -6.536 3.817 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 -4.375 -23.850 17.257 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 14.217 8.911 -7.306 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 -3.857 -3.570 0.656 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 -17.620 -15.011 1.928 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 -5.016 -14.043 15.042 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 2.377 3.571 1.169 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 -0.052 -1.091 0.598 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 -2.145 2.961 16.752 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 -3.723 2.071 -0.149 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 -7.472 6.489 -16.147 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 -3.320 -1.414 20.200 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 4.401 -4.608 -3.650 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 4.990 1.098 5.458 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 -12.271 -3.831 -10.691 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 2.016 -3.921 -4.622 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 6.835 -1.265 -10.074 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 -3.763 -17.469 8.952 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 -4.823 1.192 -4.747 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 -1.382 -0.741 9.574 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 -4.433 2.968 -17.304 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 0.692 3.475 -0.092 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 -0.541 1.586 -2.060 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 1.198 4.218 1.325 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 -8.344 -4.201 -0.518 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 -3.397 6.058 -6.071 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 -7.274 -0.701 -14.610 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 5.908 1.680 -2.010 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 10.889 -24.257 -15.699 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 -1.773 -2.954 -8.522 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 -1.692 -11.056 0.315 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 8.164 -3.399 -4.854 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 -7.931 8.345 11.925 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 4.880 -2.107 -3.136 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 11.958 -11.527 6.181 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 -8.054 7.050 5.860 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 -0.541 -2.871 -5.917 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 1.980 -8.755 0.587 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 15.990 7.041 5.653 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 -3.400 -2.127 4.317 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 14.490 -18.526 4.571 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 -9.699 -16.583 -16.593 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 -2.748 6.041 5.073 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 -8.826 13.163 -12.676 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 -6.668 -4.370 9.804 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 3.161 0.791 -1.792 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 1.702 1.039 -1.237 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 -2.281 2.022 0.595 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 -1.420 0.358 4.235 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 3.279 -10.997 -5.546 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 4.860 2.656 19.600 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 4.154 -13.235 1.220 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 -3.544 -33.055 -0.137 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 13.565 3.201 1.686 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 -3.262 -2.651 -3.434 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 -17.849 -7.242 -8.856 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 3.336 -0.979 -16.942 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 -3.748 2.752 5.079 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 -19.792 -1.924 6.585 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 0.051 4.372 6.366 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 -2.750 2.105 0.950 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 7.788 -5.258 1.781 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 -18.598 -2.285 1.664 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 1.539 -0.407 -8.548 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 3.059 -32.375 26.953 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 10.707 -5.165 0.433 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 -8.783 -5.609 -1.661 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 1.387 -15.640 -7.813 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 -16.875 -2.060 -6.874 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 -1.658 3.687 -4.978 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 1.973 4.552 -5.552 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 -8.292 7.960 -0.951 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 1.981 0.529 -0.747 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 0.416 -0.383 4.674 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 -5.335 0.719 -7.097 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 8.122 -1.599 1.165 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 -10.001 -19.415 -11.173 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 -26.705 3.792 -15.283 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 5.383 -2.068 0.367 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 7.174 -3.996 13.551 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 13.261 0.217 0.245 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 -1.004 -0.781 -2.083 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 11.555 -2.795 -0.435 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 -3.063 4.919 -15.272 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 0.994 -2.194 -1.251 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 -10.290 -1.700 -8.787 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 3.006 2.949 14.038 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 -2.561 -1.540 2.279 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 -0.523 18.014 16.209 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 -7.341 5.303 -10.990 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 4.688 0.345 3.308 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 -6.893 16.032 20.468 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 5.032 -3.344 -3.656 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 5.877 -0.931 2.534 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 8.689 -13.114 15.846 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 8.832 1.084 4.418 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 -4.290 3.240 7.727 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 -8.935 -6.097 2.480 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 0.113 -1.093 -3.624 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 7.089 -7.162 -1.876 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 20.889 -3.193 -4.301 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 4.506 3.962 -8.661 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 -5.877 1.783 -4.383 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 22.622 2.959 -2.089 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 1.499 -13.476 11.519 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 1.374 3.103 -0.300 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 -2.997 -6.256 -11.032 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 -2.779 -26.462 -25.951 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 -5.821 6.518 2.222 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 -4.799 4.427 3.355 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 -21.273 24.887 -15.186 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 2.238 -2.214 -4.542 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 -12.022 12.145 0.942 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 -19.556 15.712 -2.806 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 -6.513 -5.750 2.712 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 -0.552 2.681 -1.965 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 -4.408 -4.664 14.276 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 -0.226 -1.894 -2.433 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 4.154 -2.277 7.289 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 12.024 -10.891 9.586 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 -4.093 -5.522 1.248 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 3.664 -17.472 -19.850 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 4.272 -12.470 -7.411 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 4.197 -0.252 -1.968 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 15.622 -1.368 -16.833 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 -7.640 -1.516 1.110 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 -8.040 -5.030 4.239 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 -6.746 6.503 3.475 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 -4.585 0.170 6.219 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 0.878 -4.175 -0.521 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 -10.286 -12.343 3.702 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 -4.099 -1.743 -12.990 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 -2.697 -7.274 2.403 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 4.763 -14.817 21.635 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 -2.501 -32.830 4.039 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 -7.070 -1.674 -4.947 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 46.824 2.764 5.879 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 1.345 1.044 -2.535 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 2.306 0.483 0.130 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 24.729 11.000 26.277 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 23.594 -2.036 -1.631 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 3.275 -3.966 3.915 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 2.994 -6.768 -0.113 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 -13.146 -14.913 3.088 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 -1.114 -2.480 -4.802 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 -7.507 4.619 10.548 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 -5.017 0.222 2.158 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 -1.620 2.847 0.816 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 -1.254 2.836 -4.123 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 -1.421 -2.055 2.049 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 3.227 4.578 -0.060 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 4.531 -3.050 0.551 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 6.265 -14.390 -5.806 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 1.201 4.745 -8.340 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 11.773 2.251 -26.282 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 -17.193 1.350 -7.317 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 -2.308 -1.544 2.593 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 3.407 -2.981 -0.984 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 5.047 7.766 11.144 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 5.396 -4.748 2.491 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 8.405 11.923 20.244 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 12.093 -7.196 -2.994 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 4.983 -5.464 0.750 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 5.491 -16.333 -3.309 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 4.078 19.412 -13.114 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 -1.631 -3.252 -0.564 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 -12.122 -22.282 12.146 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 -12.411 -16.351 -18.526 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 5.383 5.105 -2.974 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 2.380 2.584 -10.446 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 20.809 4.362 -11.827 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 8.176 10.317 -4.407 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 6.631 17.886 -3.826 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 8.819 -24.402 18.910 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 -2.613 1.540 -8.613 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 -6.647 4.273 -10.808 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 12.047 0.048 -0.440 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 3.450 -1.035 0.328 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 13.652 -27.765 3.032 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 -42.649 18.663 -2.040 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 3.299 -1.749 6.601 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 -1.963 -7.336 8.898 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 -7.475 -6.838 29.951 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 -4.458 -2.783 -0.172 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 -11.035 7.248 10.674 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 -16.682 18.058 19.703 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 0.887 0.262 -1.501 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 -1.769 9.215 1.554 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 -21.772 14.898 -2.199 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 4.176 1.542 -0.062 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 -17.854 -4.207 -3.695 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 21.116 0.869 2.748 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 -1.365 -1.156 4.466 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 5.116 -9.198 22.765 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 9.215 -4.850 13.847 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 -4.689 3.241 0.640 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 7.536 3.683 0.915 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 -11.384 29.503 1.486 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 5.790 -0.951 3.007 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 18.841 -13.540 0.139 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 18.376 20.284 10.548 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 -3.547 -1.314 4.240 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 3.305 -7.218 -6.913 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 -17.177 -3.976 1.277 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 2.482 -0.723 1.709 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 2.944 13.783 -6.100 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 -16.002 6.427 11.209 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 5.468 3.469 6.185 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 3.498 6.544 16.437 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 20.758 3.651 0.493 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 5.399 -0.806 6.178 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 8.794 -9.851 0.907 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 -16.225 -3.536 -14.610 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 1.262 -2.265 2.283 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 -1.457 -0.720 7.704 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 17.508 -15.653 -6.095 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 -6.358 1.412 -6.912 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 15.678 -2.220 -1.256 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 17.189 -6.483 13.078 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 3.384 7.880 2.898 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 -0.620 11.375 4.424 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 6.282 8.537 12.211 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 3.857 0.943 -0.100 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 16.843 0.220 4.889 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 -3.307 2.793 9.273 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 2.942 -3.056 -3.905 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 21.980 -0.595 -17.919 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 2.682 6.998 -0.078 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 7.941 4.430 -2.596 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 20.514 6.052 -4.791 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 25.689 7.245 -3.600 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 -1.713 1.360 1.613 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 -10.542 2.347 7.690 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 11.993 -0.233 -5.671 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 -8.358 -7.774 1.380 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 16.168 1.599 -3.836 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 -6.861 -11.672 -3.166 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 -4.859 1.046 -0.382 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 -16.311 15.463 17.276 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 -5.992 3.306 -9.909 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 4.125 -0.331 9.094 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 7.530 -7.800 11.911 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 29.007 17.447 36.057 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 2.420 2.230 -4.274 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 8.314 -18.680 -10.129 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 -22.997 4.920 -4.517 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 -0.366 -4.168 1.270 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 9.922 -0.522 -2.210 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 0.482 -14.933 3.142 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 -1.922 -2.821 1.577 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 -1.707 -2.842 9.159 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 15.307 13.018 18.339 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 -0.743 0.435 -2.842 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 -2.559 3.168 -3.621 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 4.279 4.109 -8.446 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 -0.153 3.843 0.793 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 -17.545 6.516 -25.789 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 4.432 2.643 4.546 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 -0.679 -1.879 -0.474 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 -0.374 13.210 -4.410 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 -10.460 19.148 -0.747 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 -5.231 -2.100 -4.171 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 -3.459 -0.622 1.744 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 -16.690 -13.577 6.183 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 -4.983 1.436 0.793 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 6.316 -6.938 -8.799 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 11.287 -17.121 -1.872 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 6.686 0.474 -9.539 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 4.741 3.108 -10.475 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 -15.905 1.963 13.975 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 -0.770 0.397 2.348 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 10.685 -7.756 -26.347 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 10.926 -5.092 24.049 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 2.946 0.983 -3.162 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 5.788 -13.600 -17.710 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 -15.950 -6.183 6.989 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 1.141 3.172 -0.981 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 -10.127 -3.640 -20.902 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 18.155 17.793 -10.916 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 1.643 3.165 0.057 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 5.713 -5.793 -1.849 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 21.627 -8.603 13.110 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 -4.789 9.841 8.469 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 4.581 2.545 0.839 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 -10.858 18.031 -0.681 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 -4.898 3.832 5.285 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 -9.650 8.466 10.966 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 -16.617 1.424 4.106 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 -2.799 9.739 -2.247 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 -2.314 9.150 6.698 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 3.619 13.763 12.790 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 -3.972 7.571 -0.953 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 -8.848 9.682 12.962 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 2.908 0.805 6.104 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 3.883 -0.759 1.131 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 -0.189 7.681 -22.342 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 1.580 3.334 6.709 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 -1.387 9.418 -5.856 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 -1.363 9.944 -15.563 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 -1.615 0.237 -3.347 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 4.558 -2.380 1.509 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 24.330 -3.299 25.408 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 5.130 -8.028 -0.424 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 8.070 -1.730 -3.760 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 -3.173 -2.563 1.794 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 -13.674 -2.272 1.896 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 -3.238 -2.388 -3.793 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 4.540 -1.313 -1.949 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 9.291 -0.717 -0.774 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 6.699 -6.857 4.460 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 -4.992 -2.542 -17.235 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 -5.031 13.073 -5.385 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 1.725 7.190 -0.337 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 21.472 6.602 -1.280 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 28.467 6.567 -8.752 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 -0.866 8.253 0.461 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 -7.076 5.083 11.039 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 4.170 13.092 -13.468 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 -0.697 -7.015 0.579 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 -22.971 7.840 -8.087 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 17.605 -31.046 -13.512 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 0.227 2.943 -0.177 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 27.440 -2.890 -12.859 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 -12.274 0.189 10.902 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 -3.215 -3.524 -2.220 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 6.392 -3.376 10.819 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 7.503 -9.625 -3.281 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 -0.032 2.661 -4.289 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 -6.986 -4.798 0.787 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 12.771 -2.397 1.040 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 -5.766 1.920 1.040 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 4.430 -10.327 5.313 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 -3.222 14.188 -13.119 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 -1.880 -3.973 0.183 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 -10.126 3.709 -1.668 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 -4.425 -20.184 -0.042 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 2.437 1.056 -3.772 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 15.243 -4.811 -7.880 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 -6.123 -17.087 -16.290 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 3.122 -5.054 -0.868 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 -34.128 7.113 0.144 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 -18.435 -24.110 7.070 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 3.879 -1.609 -1.732 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 8.811 -12.273 -4.176 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 -1.459 7.320 0.259 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 -1.535 -5.416 -3.610 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 5.436 2.784 -4.821 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 -3.429 -8.557 -7.023 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 -3.813 -1.848 -5.779 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 0.662 -3.184 -23.088 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 0.211 -4.369 -38.425 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 4.921 -3.156 -0.603 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 1.925 -1.628 16.254 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 -4.576 -3.191 -13.926 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 -4.496 -3.879 -9.175 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 2.686 -11.783 -13.798 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 -3.922 17.158 17.197 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 -4.346 5.498 -2.203 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 -12.783 -11.502 -10.012 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 7.591 14.852 8.573 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 -1.143 2.373 1.306 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 4.332 0.266 9.728 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 -0.107 -0.217 -18.016 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 -6.178 0.264 4.600 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 -8.766 -4.602 30.090 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 0.657 1.547 -0.555 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 1.661 0.017 0.320 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 -13.777 2.145 -3.883 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 7.379 -2.470 4.703 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 2.108 -5.555 -2.481 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 -11.156 10.512 11.423 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 -0.448 -6.401 10.384 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 -4.129 -2.688 -4.501 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 -1.757 23.970 0.149 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 9.319 -14.555 15.731 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 -3.136 -1.283 0.088 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 22.960 -5.482 -3.361 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 14.932 -4.497 -18.862 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 1.385 9.309 -3.391 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 -22.985 -8.721 -2.617 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 23.366 -9.337 -11.471 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 9.215 -0.258 -2.040 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 12.705 3.551 19.263 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 4.409 4.295 10.863 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 1.079 -2.602 -3.080 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 7.343 -0.095 -12.507 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 -17.742 28.648 -9.885 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 0.012 1.331 -3.243 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 -3.732 4.491 -4.630 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 -6.873 -12.596 2.983 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 7.083 0.815 -1.188 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 6.654 -5.509 4.799 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 8.980 -3.016 -8.831 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 3.905 0.618 -4.985 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 -4.891 -0.793 0.287 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 -21.878 13.638 0.322 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 2.462 -1.205 -0.318 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 6.433 5.992 -5.999 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 -8.411 1.195 1.404 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 -5.866 0.092 1.462 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 -20.027 0.049 6.087 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 10.504 -7.835 -3.144 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 0.539 -0.279 -3.035 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 -5.988 -6.514 2.155 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 3.674 20.533 -2.591 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 4.650 -6.581 6.027 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 -0.687 0.806 -12.536 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 1.623 -3.334 27.858 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 -5.147 4.451 -8.597 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 7.229 -8.627 -27.401 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 -13.247 0.064 6.554 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 2.859 -1.130 -9.807 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 24.972 -25.538 -4.732 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 -0.513 1.108 -10.651 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 4.006 3.756 -1.594 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 3.952 4.073 -1.175 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 29.114 6.644 -5.356 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 10.124 -1.981 6.843 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 -19.211 -3.226 -14.855 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 -2.534 -7.195 -3.419 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 -1.020 4.059 -3.126 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 16.114 6.702 -9.345 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 -9.573 8.596 17.237 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 5.832 1.935 -0.249 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 8.780 -7.561 0.276 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 10.390 -0.319 4.178 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 1.838 -7.888 3.167 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 12.461 -10.262 -0.396 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 -6.183 11.936 -6.135 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 -0.893 2.475 5.137 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 -15.796 9.968 18.678 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 -10.887 0.786 1.009 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 2.478 -11.740 3.804 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 19.636 -5.010 -0.709 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 -15.119 21.555 25.843 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 2.078 -8.294 6.036 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 12.467 18.958 -12.062 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 -25.655 13.752 -0.309 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 -2.406 5.164 2.204 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 -12.957 0.820 -0.121 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 -7.412 7.068 8.348 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 -2.307 1.806 -3.470 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 -21.215 29.553 10.475 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 -9.537 -4.274 -4.932 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 7.452 -9.582 4.622 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 -0.394 7.405 -5.391 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 28.409 -21.163 15.126 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 1.924 -0.311 1.395 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 5.291 -22.269 -1.286 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 -1.085 24.357 -3.441 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 0.092 -1.610 -0.709 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 -4.122 -12.486 7.007 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 5.975 -5.909 -14.122 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 -1.166 -1.996 -0.014 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 -17.835 0.874 7.570 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 -10.360 -2.433 -3.759 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 5.085 3.571 0.326 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 23.370 19.747 -7.245 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 3.842 -21.467 4.766 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 1.327 4.758 6.220 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 10.056 6.832 -5.250 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 3.662 3.177 6.634 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 -3.067 6.445 -0.650 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 -9.034 27.460 -28.281 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 -16.971 19.545 -31.084 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 0.263 1.833 1.587 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 -0.150 -1.211 12.335 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 1.220 4.941 -9.374 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 -2.067 6.339 1.887 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 13.224 36.964 -6.910 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 11.316 17.391 -19.597 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 -7.117 -2.226 -4.998 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 -16.302 -13.313 -8.179 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 7.385 -10.407 -19.970 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 1.253 6.200 2.875 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 20.592 8.584 9.566 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 -2.590 -2.883 19.726 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 2.088 1.686 -3.747 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 0.748 23.004 -17.609 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 14.554 -3.389 15.818 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 -0.309 -2.088 4.945 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 0.766 1.882 -2.708 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 -2.467 1.101 11.482 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 -0.573 -3.240 6.561 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 7.784 -17.520 5.900 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 0.156 -8.698 19.301 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 -0.118 -7.838 6.315 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 6.079 -27.146 -22.452 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 27.890 20.038 9.677 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 1.161 -2.273 -6.992 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 -8.838 -21.683 -23.015 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 14.362 5.077 9.500 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 -2.312 -4.987 9.417 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 -1.946 -1.143 -0.080 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 -8.471 -12.034 16.127 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 0.394 -0.913 1.109 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 -15.683 6.210 -1.049 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 -1.535 -11.472 -1.819 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 1.671 2.468 -1.202 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 -13.319 -19.054 30.843 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 -1.375 -32.023 -13.040 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 3.973 -5.631 -6.816 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 -10.777 -26.658 25.344 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 -6.795 -14.983 10.326 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 1.164 0.180 -0.982 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 -0.156 16.637 -22.011 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 6.680 4.666 -11.435 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 4.161 -0.495 3.738 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 6.700 3.069 5.351 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 17.796 -2.459 -1.062 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 -1.370 -4.973 -3.179 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 5.150 2.651 -12.582 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 -1.718 -7.724 1.086 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 8.220 0.457 3.503 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 5.461 13.239 5.052 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 -14.571 5.174 13.803 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 -6.623 -2.499 5.628 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 -2.262 -8.541 -10.949 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 1.467 21.240 6.995 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 2.878 0.845 -6.520 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 -0.627 -6.900 2.608 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 7.600 -4.389 -18.354 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 -1.753 1.789 0.742 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 24.842 27.000 -8.759 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 -1.099 7.228 11.086 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 1.566 7.662 -1.663 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 -9.639 -31.344 -17.374 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 11.142 24.200 4.099 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 0.619 0.006 -2.093 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 -0.769 -1.300 -10.892 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 6.321 7.728 -21.412 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 0.700 -6.379 -3.911 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 3.370 -5.798 -2.791 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 -13.619 0.382 -8.071 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 1.390 -2.897 3.368 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 8.495 13.101 29.173 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 21.111 -14.670 -5.961 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 2.532 0.707 -2.820 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 -3.843 14.753 -2.735 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 -5.823 3.843 9.371 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 5.294 4.192 -2.548 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 -16.102 7.280 -13.509 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 10.023 8.030 1.156 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 -1.140 -0.755 -6.473 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 9.831 -8.988 4.825 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 -2.636 19.266 4.112 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 6.136 5.633 -2.044 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 6.131 21.636 6.113 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 10.269 13.622 -1.274 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 -1.050 0.626 -6.718 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 -11.716 -18.420 -11.630 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 -7.529 1.727 13.369 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 -4.775 -2.470 1.899 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 -2.190 -3.241 11.949 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 -4.943 -4.056 10.997 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 1.057 -4.079 1.038 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 7.848 -18.651 18.949 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 -11.190 -1.373 -11.073 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 1.355 2.876 -2.848 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 -3.335 5.134 -15.743 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 -0.538 3.926 -7.749 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 -0.616 -2.712 -0.191 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 -24.327 16.476 -2.651 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 3.416 -20.454 -19.555 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 1.281 1.104 -11.174 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 4.808 -3.090 -18.664 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 2.444 -4.072 -12.491 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 -3.724 -1.803 1.146 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 -9.931 -3.185 6.690 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 -11.381 -4.167 9.010 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 -0.466 -6.310 -0.034 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 -39.990 5.864 4.032 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 -8.260 19.099 5.602 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 4.105 1.877 -4.279 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 -5.101 -1.384 -3.660 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 -0.198 1.694 1.172 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 -7.848 0.877 2.391 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 0.593 1.282 -2.002 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 -17.518 7.605 14.303 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 2.387 -3.547 1.954 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 8.756 -14.137 11.541 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 -8.599 3.994 -3.317 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 12.784 -3.292 -0.189 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 -9.000 10.387 10.739 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 20.917 0.575 5.215 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 -2.018 4.209 1.221 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 -4.386 -16.019 0.442 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 13.935 1.271 6.489 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 -4.375 4.190 -2.880 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 -15.402 -1.110 -11.857 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 -11.021 -1.367 -5.706 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 -1.996 1.749 -9.973 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 2.429 9.402 -19.440 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 -4.201 -10.346 -19.135 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 -1.161 2.869 0.229 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 -7.884 -9.124 10.936 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 3.973 -4.348 9.550 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 -0.551 0.538 0.772 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 -10.539 12.343 -3.627 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 5.515 -8.459 -0.887 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 -4.909 6.148 -7.324 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 -4.775 7.890 -5.481 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 -0.389 6.150 0.624 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 -2.666 -1.374 4.896 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 9.465 -34.473 13.927 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 15.911 -12.177 17.985 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 3.818 5.257 -1.641 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 -11.090 -16.265 8.472 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 0.976 -12.776 -1.711 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 -6.528 -10.885 2.519 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 -11.629 -9.818 -10.062 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 10.662 -10.555 0.088 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 -3.783 0.017 1.188 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 -2.568 -8.488 16.328 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 1.541 16.212 4.954 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 -4.341 6.078 -1.010 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 -4.981 28.872 -13.543 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 -3.664 -22.801 13.509 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 3.534 -1.501 -1.291 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 -3.235 -6.618 5.886 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 20.999 -25.049 10.606 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 2.077 -3.076 8.001 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 -0.744 1.522 10.617 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 -11.354 0.922 1.880 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 0.066 1.040 -0.896 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 6.874 7.891 14.678 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 -9.083 1.127 -0.791 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 -4.102 0.032 3.933 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 9.040 -12.737 4.866 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 0.793 6.774 14.271 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 9.265 -5.554 0.658 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 5.196 -12.653 14.608 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 2.335 4.843 0.094 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 -2.084 -0.618 -1.430 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 22.292 15.370 -0.479 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 -19.726 -20.968 -3.835 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 6.919 -0.489 2.090 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 3.140 -1.258 -3.854 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 7.273 -7.321 1.563 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 -3.989 -1.176 1.751 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 -7.251 4.012 17.399 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 -3.785 10.851 10.283 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 4.092 -1.864 -1.607 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 17.652 3.865 -11.241 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 14.603 9.364 -27.660 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 -4.820 2.381 -1.048 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 -6.745 -6.840 -0.306 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 -23.876 -18.093 27.355 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 -1.937 1.123 -4.621 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 6.336 8.855 7.966 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 14.162 0.665 2.184 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 -2.280 0.460 0.569 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 24.219 14.555 17.169 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 -14.625 19.566 -24.108 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 2.120 -0.407 4.783 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 4.823 -3.654 11.634 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 -11.172 -14.191 -12.433 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 2.251 0.149 1.233 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 -2.402 -2.629 6.995 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 8.540 7.923 -15.179 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 -2.719 -4.577 -3.690 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 -10.215 14.272 -7.076 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 11.025 -5.998 13.390 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 -8.752 -1.839 -7.724 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 -13.335 -3.514 -10.305 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 4.363 31.319 13.390 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 1.097 2.023 1.087 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 8.533 9.468 -15.369 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 -12.405 0.717 25.861 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 -0.075 1.148 -4.801 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 8.030 -4.883 -12.496 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 -6.384 3.687 -14.586 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 1.292 5.208 0.355 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 5.132 9.712 15.281 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 -2.295 -0.429 -15.799 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 -1.007 4.256 -2.078 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 -19.963 -15.628 -6.166 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 -18.247 0.824 -2.536 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 8.808 -3.985 -7.198 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 -6.085 6.449 19.165 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 -18.167 -5.959 -13.405 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 2.310 -3.512 -3.341 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 -9.051 -1.982 3.590 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 11.447 -1.388 -13.201 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 4.124 -9.926 3.006 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 -5.564 -6.852 2.399 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 10.143 -3.147 6.389 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 -1.659 1.651 -0.365 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 -34.573 -13.586 3.926 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 -0.313 10.951 16.223 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 -0.064 8.511 3.958 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 9.955 17.864 29.048 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 24.467 -2.568 9.066 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 -5.145 -0.552 -0.564 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 -10.234 -5.495 -1.789 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 -7.733 -22.557 8.189 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 -7.436 -3.385 0.209 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 -11.034 6.771 3.998 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 -5.731 15.535 15.187 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 -2.943 -0.402 8.196 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 -6.535 -2.010 26.611 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 12.811 10.675 13.876 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 -6.292 5.504 -1.110 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 3.949 -7.967 -30.359 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 -14.166 8.000 -5.475 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 -2.269 -4.615 -0.202 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 -15.066 -4.755 3.530 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 3.414 -9.668 6.111 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 -2.401 3.341 -3.116 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 9.053 8.623 -10.203 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 2.526 -1.755 9.043 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 6.773 6.768 -5.480 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 9.194 14.097 0.916 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 9.248 -1.184 -15.405 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 -0.665 -0.318 -2.574 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 -4.434 -3.515 -16.280 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 -0.453 -0.594 -4.567 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 5.676 -0.054 -1.793 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 -3.170 -1.947 7.710 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 -5.280 -0.515 16.529 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 3.288 4.032 -0.995 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 -2.705 -4.522 -3.478 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 12.530 -0.905 -4.104 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 0.762 2.998 5.900 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 -13.619 3.028 3.185 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 5.980 -5.428 -13.572 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 5.805 4.200 0.821 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 -35.555 -34.167 5.811 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 4.983 3.330 4.365 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 0.928 -2.026 0.070 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 -0.759 -0.671 2.429 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 3.122 -2.293 -0.365 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 2.664 -0.961 5.951 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 -17.609 2.627 8.924 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 3.082 4.366 20.787 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 3.609 4.638 -2.761 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 16.066 -20.181 11.303 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 4.427 -13.247 3.630 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 4.441 -1.932 0.846 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 -21.447 -12.624 6.063 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 19.579 3.789 -2.542 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 -1.452 0.516 1.336 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 -6.135 4.438 -13.409 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 -14.808 2.004 -3.258 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 -0.549 -7.591 0.410 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 -5.761 15.041 -8.518 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 -8.216 -16.299 12.482 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 -1.486 7.458 -4.106 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 -1.730 12.672 -7.783 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 -24.277 12.591 -1.215 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 -3.928 -0.654 -1.940 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 0.951 -17.088 -6.983 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 -1.719 -1.271 17.544 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 -3.824 10.384 1.020 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 -10.717 0.086 -1.221 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 -1.039 9.278 6.304 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 -3.154 4.847 2.878 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 4.401 1.762 -3.800 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 -0.078 -7.879 -5.941 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 -3.222 -3.904 3.515 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 1.587 -8.451 -16.018 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 -9.497 -12.178 5.735 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 2.908 -4.763 -0.609 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 -7.275 -17.343 -4.740 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 2.700 6.747 -2.361 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 -0.643 -3.530 3.891 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 -5.382 12.460 14.936 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 8.049 -4.033 -25.172 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 0.975 -2.456 -0.019 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 17.490 11.675 11.850 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 -2.995 -7.197 -10.055 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 10.245 -3.609 9.166 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 -1.919 9.048 0.933 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 1.739 -12.265 23.021 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 -2.307 4.630 -0.164 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 -7.958 -21.145 16.569 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 -20.537 13.299 -2.491 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 -5.713 -3.441 7.095 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 -17.152 -27.234 31.661 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 3.433 5.532 -6.002 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 -0.813 3.840 -3.501 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 2.097 -11.472 10.798 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 2.218 29.057 -3.136 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 4.597 -3.604 -5.586 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 -8.710 -7.608 -19.453 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 5.873 7.109 -4.450 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 2.716 2.667 1.670 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 2.015 4.672 -7.042 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 -1.634 1.943 -1.405 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 5.014 2.223 3.106 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 -10.386 -14.251 1.001 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 1.046 -9.162 -6.572 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 1.135 2.499 -0.153 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 2.890 -0.050 0.100 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 2.919 -3.962 -13.215 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 -4.069 -0.058 -0.201 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 -4.481 -2.554 2.464 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 1.160 -0.228 -10.565 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 -0.445 -1.019 2.550 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 6.088 -13.916 28.415 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 -14.821 7.911 6.934 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 -5.145 1.886 7.444 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 -3.074 3.016 3.681 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 12.546 10.024 -6.684 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 -3.077 0.894 2.661 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 -9.395 -3.896 -2.185 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 -4.427 5.459 7.225 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 4.081 -0.261 -2.993 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 12.100 0.388 -29.365 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 -8.602 -24.738 -0.055 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 6.235 4.695 -6.361 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 8.084 20.353 8.765 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 33.770 7.002 2.308 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 -1.519 4.070 -0.767 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 -6.100 -18.666 -10.854 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 14.492 29.482 -13.833 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 0.420 -4.186 -0.761 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 -17.679 2.431 -4.023 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 1.086 -14.985 19.633 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 -0.386 -7.488 -1.695 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 1.455 -6.971 22.429 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 -1.613 -7.750 -11.105 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 -4.272 -5.218 -3.623 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 -8.142 14.722 18.604 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 -5.518 9.919 -27.709 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 -0.088 0.887 2.333 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 5.392 4.130 -17.454 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 -1.467 -3.356 2.819 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 -4.182 2.110 2.901 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 8.137 -10.095 -2.469 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 11.100 4.590 -5.299 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 5.743 -2.955 2.225 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 -33.336 0.003 -2.495 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 -12.849 9.810 -16.952 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 5.825 -0.599 0.213 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 8.728 0.484 6.682 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 -3.994 -19.307 -29.412 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 -1.696 -3.346 2.820 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 18.485 6.708 21.300 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 -2.725 -2.954 1.831 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 -1.305 -2.410 -2.884 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 21.736 -0.261 13.599 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 37.057 2.534 23.609 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 -11.281 2.207 -3.800 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 12.127 4.845 21.422 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 10.168 5.034 22.196 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 4.813 0.825 -1.358 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 -10.015 -4.389 -17.955 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 -5.341 -7.279 -12.893 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 6.113 -0.711 1.602 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 24.845 25.430 -14.233 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 10.596 4.193 12.884 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 -6.459 -6.419 -5.015 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 -7.742 5.698 -21.487 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 12.861 5.038 2.683 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 3.081 -0.506 -6.284 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 -1.096 2.584 -6.050 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 5.977 -0.600 -0.102 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 -4.985 8.807 3.214 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 10.286 10.255 -11.124 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 -3.836 -7.885 0.520 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 -5.676 0.046 -4.869 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 15.955 1.548 10.334 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 10.318 32.514 -25.730 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 0.014 -0.492 -1.315 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 -27.767 -3.277 13.396 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 -21.157 -6.010 8.380 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 3.027 -0.339 -2.338 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 23.545 -4.742 -23.722 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 -4.606 -27.376 6.094 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 7.149 3.713 -5.909 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 16.779 0.450 11.747 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 -13.088 -10.292 -16.028 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 6.273 6.872 7.865 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 11.180 -1.090 3.742 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 11.985 -19.729 -10.627 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 1.156 1.026 -2.802 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 -2.648 0.897 -0.743 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 -4.508 6.797 -2.298 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 2.107 -1.447 -0.721 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 1.992 -0.307 -0.021 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 2.717 1.064 0.366 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 -2.478 2.958 4.011 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 -23.335 32.138 5.573 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 -3.364 -0.416 8.659 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 0.999 -3.507 -5.961 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 -11.691 -2.846 17.366 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 -11.541 -5.620 8.413 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 8.705 4.389 -8.015 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 -13.012 14.637 -17.248 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 -9.980 -2.878 -5.949 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 -1.527 -2.729 2.403 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 3.275 1.073 -0.014 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 14.192 -8.247 -0.724 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 1.553 -0.026 -1.427 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 -5.469 -1.874 -7.270 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 -6.702 -7.737 2.852 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 3.288 -2.561 2.627 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 0.992 -7.603 3.176 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 10.089 -2.240 -0.696 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 -0.154 3.408 5.815 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 -8.123 19.065 7.458 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 0.158 -8.866 -4.902 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 3.238 0.105 7.477 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 -6.344 21.170 30.495 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 17.532 5.955 -12.579 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 1.890 -0.691 -6.987 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 -4.643 -8.537 -2.239 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 10.662 -5.194 -9.603 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 1.178 -5.931 -6.444 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 19.675 3.495 -0.297 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 12.682 42.408 -1.551 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 6.067 -4.135 -0.388 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 -4.415 -0.626 -6.826 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 7.359 6.456 9.855 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 1.329 2.899 -9.472 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 9.258 0.951 -26.053 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 -2.337 6.628 -16.528 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 -0.079 1.692 2.016 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 -3.684 -31.933 -0.824 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 2.556 11.425 -14.342 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 4.642 -7.922 -1.179 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 -1.751 -1.770 -2.864 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 2.078 -4.559 -2.232 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 3.616 -8.830 3.236 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 0.239 -16.567 -13.520 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 23.709 -0.383 15.664 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 -1.500 3.134 0.132 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 7.852 -0.733 16.443 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 -9.163 -13.750 -8.477 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 0.895 1.687 -3.663 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 -2.010 11.864 -6.656 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 -1.855 -6.278 -11.601 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 -1.368 7.626 -1.665 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 28.324 4.449 -7.596 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 19.176 21.305 -6.631 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 -1.419 -0.339 2.556 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 -5.565 -1.975 0.128 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 -7.957 -4.977 6.842 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 5.343 4.656 6.357 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 6.710 6.545 6.373 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 -3.534 1.355 12.458 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 7.346 -1.341 1.610 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 35.583 13.733 6.008 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 11.513 -11.739 -8.318 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 -5.619 -8.781 6.483 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 -4.263 11.407 9.203 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 4.920 11.688 -12.595 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 -2.469 -1.878 4.907 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 0.513 -10.253 12.941 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 -3.585 -3.728 5.209 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 2.330 4.037 -0.980 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 7.609 7.689 -9.925 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 3.466 6.143 -12.988 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 1.114 -4.206 5.163 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 -13.365 -17.735 16.440 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 -5.590 20.242 10.636 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 -4.145 -4.762 1.719 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 3.240 -9.673 -1.183 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 -2.031 -0.282 3.356 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 -5.019 11.421 -0.195 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 4.089 17.956 -21.510 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 4.097 21.983 2.713 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 -5.654 -0.789 4.181 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 -21.547 1.851 -16.248 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 -3.809 9.451 14.366 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 -2.971 3.864 1.185 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 -0.337 20.576 4.246 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 10.719 5.988 -1.014 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 1.839 1.864 -2.846 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 -6.385 0.392 -6.641 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 -13.531 2.214 -1.783 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 0.991 6.459 -4.493 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 -1.172 13.942 4.102 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 11.223 1.664 -1.111 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 -0.849 -4.538 3.908 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 20.143 -19.067 5.654 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 -28.349 18.443 -2.874 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 -2.374 0.103 -4.996 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 -0.810 6.349 -9.205 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 -4.616 -0.348 18.035 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 5.278 3.000 -2.767 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 8.802 -13.565 32.395 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 -1.694 -33.206 -29.715 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 3.118 -0.992 2.842 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 -9.668 -1.128 -3.041 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 -8.699 0.181 -3.473 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 -0.736 1.731 -3.162 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 -13.775 -20.525 -13.786 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 -8.998 15.386 8.845 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 11.774 -0.190 3.243 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 1.505 8.608 2.176 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 4.853 -13.821 -0.878 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 -5.609 -0.030 -1.899 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 -20.255 -10.872 -2.866 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 -9.938 9.018 9.560 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 -1.159 -3.596 0.569 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 1.531 -4.329 -8.763 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 11.550 19.012 -8.472 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 -2.617 -0.937 0.096 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 -6.464 -26.936 4.378 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 6.498 -5.695 0.455 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 1.373 2.222 4.797 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 -23.398 -2.190 2.308 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 -11.114 33.934 14.378 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 1.750 0.561 -2.354 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 23.489 -0.492 13.840 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 13.018 9.703 -1.793 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 5.057 -1.634 1.421 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 23.165 22.451 -0.566 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 11.228 4.167 -2.232 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 -2.015 1.489 0.370 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 -3.419 9.002 -0.896 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 11.502 17.991 5.810 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 1.217 4.337 -5.494 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 -4.064 4.225 4.678 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 -21.768 9.653 -0.663 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 1.955 1.458 2.262 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 10.849 13.836 -8.969 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 18.361 13.640 22.121 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 5.922 1.831 -0.362 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 19.328 10.677 -10.914 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 -6.118 -7.926 -12.680 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 -6.775 -0.390 0.261 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 17.385 -19.542 -3.647 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 -1.525 4.910 0.284 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 7.261 -3.067 2.704 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 6.172 13.312 -5.215 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 5.055 3.370 -1.613 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 2.548 7.464 -0.665 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 -12.936 24.996 -5.253 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 -7.735 -16.866 35.550 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 -0.807 2.207 -1.429 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 -8.470 -2.984 -0.460 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 -1.491 -3.887 -17.700 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 1.639 3.995 3.606 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 6.183 1.744 -6.403 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 -0.158 5.369 7.069 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 0.805 0.186 -5.778 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 -6.310 -0.966 -2.984 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 -0.327 17.124 19.521 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 1.253 -4.846 -2.047 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 -5.824 -7.709 10.244 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 3.250 -3.988 4.105 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 0.462 -0.937 -8.623 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 -17.229 1.194 -0.981 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 1.541 -1.227 -9.233 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 1.504 -0.760 2.157 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 -23.393 12.221 5.293 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 -7.266 -4.732 -0.004 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 -1.530 -0.742 1.094 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 -4.392 -6.489 4.906 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 -2.287 -9.870 1.041 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 -4.374 3.269 -1.488 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 -4.608 8.839 -3.162 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 -4.255 -7.732 0.868 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 -0.481 -3.490 1.692 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 -16.786 10.937 30.899 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 -7.160 7.144 22.687 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 3.959 -0.110 -0.242 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 4.337 0.827 17.751 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 12.782 -10.895 -4.395 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 3.513 -0.438 0.281 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 7.067 -2.892 5.431 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 25.489 0.298 -4.923 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 3.099 3.622 -0.206 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 19.922 -3.800 15.193 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 2.683 4.372 0.959 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 1.171 1.900 1.244 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 3.240 -5.200 3.030 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 0.202 1.876 -5.550 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 -3.565 2.810 -1.325 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 -19.550 -5.715 3.824 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 32.583 27.980 -1.478 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 1.773 0.445 3.387 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 -3.599 5.782 14.281 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 -8.114 15.059 18.219 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 8.726 -0.443 3.469 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 -1.228 2.201 -1.744 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 6.407 -8.216 -6.928 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 -4.250 -0.037 -2.639 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 -5.074 -6.658 -3.975 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 12.347 -6.214 20.219 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 3.249 -6.747 -3.780 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 1.085 -35.018 -7.066 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 12.420 12.694 -7.834 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 -2.266 7.822 3.609 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 -2.486 10.392 7.838 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 12.582 -22.422 2.485 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 -4.450 -5.328 4.534 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 -21.789 4.011 19.660 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 18.394 -17.936 8.660 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 -4.282 -0.622 1.079 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 0.068 3.033 -14.182 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 -4.957 11.984 8.723 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 0.521 -3.309 1.115 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 -11.905 10.396 -0.422 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 1.302 -5.237 9.001 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 -6.629 0.596 1.412 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 -23.202 -4.639 -12.087 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 4.696 2.809 15.570 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 3.941 -5.646 -5.251 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 3.320 -9.372 2.364 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 -1.117 -21.706 16.237 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 3.412 -4.889 3.532 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 -1.914 3.454 11.587 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 -9.363 -4.492 -2.494 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 -0.269 -2.594 0.425 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 -21.799 -8.552 28.393 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 -1.429 -5.683 -5.832 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 -1.285 4.307 -1.994 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 -19.957 0.498 4.012 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 14.791 -8.188 5.644 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 0.753 5.960 -1.795 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 -8.927 4.485 8.195 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 5.071 -8.590 -5.118 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 -2.680 4.436 1.813 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 -2.042 4.874 1.949 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 -0.704 11.637 3.191 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 -1.324 -0.568 -2.375 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 -29.140 13.487 -13.997 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 21.474 -4.535 16.408 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 8.098 -9.233 -0.370 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 -14.982 -4.762 -5.511 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 -23.088 0.623 11.799 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 6.268 0.161 3.161 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 38.844 -1.543 -13.955 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 21.414 2.537 -6.779 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 5.348 3.874 3.015 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 -24.681 -10.236 29.991 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 -7.770 -3.863 15.427 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 -4.712 -1.964 0.605 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 -11.489 -10.264 -21.036 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 18.154 -7.141 3.322 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 -0.876 1.382 3.991 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 12.768 12.497 24.994 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 -11.267 -16.796 16.356 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 2.839 -4.052 -0.427 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 10.054 -12.602 -23.210 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 7.542 9.510 -19.423 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 -3.458 2.637 9.185 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 -9.464 -11.586 2.260 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 -11.558 -13.835 21.568 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 2.979 -3.863 -2.278 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 19.206 -30.835 8.144 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 -3.509 20.026 7.811 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 -4.811 -1.596 -1.292 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 -13.728 -3.690 7.575 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 -18.272 -7.779 32.300 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 0.757 1.722 -3.452 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 -0.628 -1.982 -9.782 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 1.396 2.904 -25.346 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 6.026 -4.389 6.368 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 -6.283 -12.161 -1.604 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 24.722 -18.885 4.979 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 -1.627 -6.138 -1.530 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 11.387 17.549 -14.218 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 0.454 -1.522 -7.511 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 0.856 -5.991 -1.112 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 10.729 -15.100 -5.096 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 15.676 9.862 3.918 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 -2.218 6.221 1.970 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 12.671 9.426 -10.160 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 -6.064 15.572 3.245 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 0.710 -3.879 2.558 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 0.527 9.292 23.800 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 4.510 -25.416 8.881 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 -5.565 2.460 1.596 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 -10.297 9.211 -20.375 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 -1.574 -9.969 5.937 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 -1.135 0.525 -1.118 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 -16.483 11.485 11.801 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 2.410 6.087 14.801 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 -0.057 0.232 0.297 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 -2.343 5.723 4.307 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 2.718 -13.221 5.051 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 9.630 -1.187 4.319 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 4.386 3.797 5.873 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 -11.100 7.563 -7.730 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 2.801 2.769 3.698 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 -5.113 -12.863 12.041 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 -1.663 -7.587 7.183 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 4.819 -3.495 2.203 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 -20.405 -5.012 2.626 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 -22.450 -9.015 2.054 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 -6.300 -1.308 -6.243 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 12.922 -7.157 5.962 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 20.327 -23.885 15.499 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 3.493 -8.237 8.844 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 21.378 -9.783 -4.806 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 -5.183 11.907 3.448 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 3.676 7.865 2.630 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 -2.409 0.447 6.939 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 10.605 -4.297 -1.424 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 4.564 1.728 10.111 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 8.264 2.587 15.022 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 -6.302 -11.028 -1.056 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 -4.978 -1.921 1.836 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 10.128 -8.548 -2.125 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 -7.447 -2.440 -1.252 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 -6.395 4.241 -1.956 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 -11.102 -3.186 -0.618 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 7.873 7.703 -3.723 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 4.577 -0.393 2.043 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 -1.875 -4.772 22.917 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 11.348 3.420 -10.879 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 4.780 -0.163 0.620 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 -16.148 8.165 -15.282 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 -3.229 3.805 26.714 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 3.338 15.034 -5.050 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 -0.868 11.431 -10.121 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 -4.103 16.120 1.106 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 0.121 -4.750 7.146 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 -17.353 11.041 -3.538 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 5.814 -9.312 9.987 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 4.873 -2.697 0.750 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 12.704 7.360 13.310 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 11.319 2.605 -1.680 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 1.955 5.685 5.518 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 -16.136 -38.637 -19.226 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 11.788 -4.602 18.492 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 5.610 -8.066 1.815 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 -5.415 -12.267 2.962 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 18.895 -3.595 0.972 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 -4.238 -0.331 2.216 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 -2.466 0.622 14.977 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 3.207 5.843 -8.475 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 -1.969 6.734 1.414 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 -0.621 4.973 14.451 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 -29.475 1.116 21.346 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 0.553 -1.578 1.519 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 10.889 8.284 -0.493 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 -11.916 -5.829 -10.961 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 -0.500 -1.370 -2.284 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 -0.932 -1.708 2.100 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 -5.453 2.517 5.619 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 -3.330 -4.439 0.103 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 42.325 0.033 12.345 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 24.673 11.986 0.999 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 -0.735 -5.975 -4.509 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 5.313 10.038 6.898 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 -19.901 -0.646 -10.540 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 6.784 6.073 -0.205 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 8.988 2.983 0.010 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 0.009 19.463 -2.062 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 6.098 6.646 -3.146 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 10.619 16.890 -1.285 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 15.422 3.861 -6.878 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 0.384 2.770 6.845 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 -5.883 3.781 4.905 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 -4.390 12.855 13.324 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 6.203 -5.648 4.539 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 13.901 -25.830 7.078 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 -1.879 11.986 -2.719 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 -2.106 -4.072 2.291 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 -3.140 -9.127 17.363 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 10.708 9.591 5.657 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 -0.013 1.413 1.799 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 -11.565 -14.469 1.621 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 11.630 -10.843 6.408 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 -10.072 -4.302 -2.729 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 -23.994 -6.112 1.642 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 -13.629 -4.367 -2.048 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 -6.068 5.941 -0.936 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 -4.532 15.532 -2.303 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 -5.558 0.618 -9.268 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 -3.055 3.608 5.866 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 12.355 10.768 13.109 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 17.725 4.541 23.881 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 7.772 2.242 -2.457 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 1.610 9.210 19.634 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 -8.635 10.775 16.980 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 -6.695 1.402 2.900 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 -12.181 0.874 -1.700 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 2.931 3.581 14.186 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 3.738 -3.925 3.049 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 3.300 -7.934 -21.745 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 9.598 3.096 7.574 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 1.182 2.887 1.686 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 3.199 6.272 -13.458 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 -13.760 7.054 1.707 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 5.194 1.211 0.245 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 8.616 15.712 0.371 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 6.952 -4.616 -12.773 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 5.161 -2.993 -0.319 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 -18.107 -1.415 -6.538 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 9.758 17.157 12.167 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 1.212 2.632 1.272 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 -8.188 31.139 17.328 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 -7.229 6.757 5.784 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 0.355 1.190 -5.138 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 4.702 17.400 14.010 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 -10.005 -18.827 -4.921 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 2.885 -2.378 -2.818 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 -19.123 -23.394 22.334 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 3.917 -9.243 -3.959 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 7.131 -1.620 -6.647 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 10.546 -15.721 0.615 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 5.361 -2.600 -3.255 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 0.300 4.641 -2.395 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 -18.144 26.286 -19.442 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 -6.560 -4.699 2.924 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 7.282 -10.497 2.864 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 -5.981 -11.743 1.096 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 -1.391 -13.692 0.234 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 -6.808 3.826 3.160 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 -16.510 27.007 1.100 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 -19.543 6.609 1.962 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 4.488 0.580 -1.263 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 -14.249 3.752 20.272 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 -13.925 17.970 1.707 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 3.317 -6.609 -2.500 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 9.915 0.701 -22.745 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 -6.261 16.660 11.873 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 -7.669 0.525 0.743 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 -10.502 -0.031 3.780 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 -9.642 0.150 4.644 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 -2.836 4.531 -0.240 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 -0.456 -15.919 -0.811 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 12.106 -17.359 -5.160 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 5.558 5.025 3.088 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 -10.030 -8.029 10.131 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 0.001 14.156 21.491 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 6.787 1.388 -1.918 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 -2.274 -11.399 8.752 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 8.783 1.254 -1.725 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 1.873 0.196 -2.329 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 -3.020 -12.654 -0.793 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 2.111 18.354 4.234 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 3.574 -5.920 4.535 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 -7.469 4.478 -8.010 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 2.594 4.104 22.941 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 2.058 6.739 5.016 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 -3.701 18.075 5.233 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 1.986 8.461 5.598 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 -0.640 0.683 -1.698 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 10.948 13.593 13.722 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 -10.296 1.631 -6.196 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 -1.821 1.755 2.217 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 -24.021 -9.431 2.866 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 -18.105 -6.166 -0.067 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 6.129 1.029 -3.499 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 6.049 7.930 -9.020 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 -5.015 -20.981 4.735 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 -3.086 -1.360 6.024 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 3.921 -0.865 17.597 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 -0.161 13.044 11.293 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 -5.642 -2.697 -9.615 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 12.797 19.119 -5.999 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 -4.493 -0.784 14.876 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 3.286 -1.302 -4.894 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 4.098 -1.775 -6.937 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 -4.040 -1.880 9.779 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 -0.225 2.881 -8.307 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 -16.807 6.029 -24.109 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 -11.232 4.769 -14.322 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 4.889 -1.385 -0.673 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 8.136 5.561 -3.106 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 7.185 -9.908 4.834 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 2.543 -7.996 -6.100 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 17.217 22.920 22.765 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 12.191 5.841 7.107 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 -1.157 -1.599 -1.881 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 -6.362 1.528 4.500 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 -19.881 21.569 7.127 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 -1.680 1.514 -4.032 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 3.270 -11.463 -4.847 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 -9.684 -10.913 -9.560 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 -2.985 -9.470 3.476 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 -17.185 -6.797 8.908 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 -4.418 -9.764 5.784 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 -0.735 5.739 -4.684 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 14.879 24.339 -9.321 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 -1.984 10.931 -2.633 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 5.642 -3.046 1.135 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 5.774 -5.087 4.206 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 13.805 3.321 26.935 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 -3.557 -5.980 3.048 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 -6.068 -7.248 -16.266 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 7.971 -7.773 6.215 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 3.562 -2.451 -2.543 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 -2.912 7.059 -26.364 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 12.261 -9.735 11.660 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 -1.770 0.368 2.024 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 19.189 3.059 -2.267 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 -7.030 9.528 26.498 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 -0.094 0.645 3.903 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 -3.932 -3.234 1.375 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 8.597 1.987 15.834 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 2.001 -1.519 1.603 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 9.607 -4.167 -6.415 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 0.266 -6.599 -14.609 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 3.225 2.081 1.702 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 1.833 4.868 28.638 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 10.027 -32.921 12.637 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 0.341 -4.162 -0.347 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 4.470 1.794 -0.120 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 2.205 0.095 1.312 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 -6.927 -0.450 4.451 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 7.567 -13.433 9.488 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 9.210 -0.921 -4.762 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 1.345 -5.533 0.334 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 -8.473 -9.627 10.794 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 4.620 -3.350 5.053 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 -3.743 -0.986 -4.938 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 -10.051 0.742 27.362 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 -10.500 7.608 28.276 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 -1.145 -3.563 9.700 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 -8.923 2.335 14.847 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 -12.150 5.788 16.898 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 0.587 -4.433 4.048 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 6.658 -6.145 12.433 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 -7.338 -2.802 -1.033 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 4.228 -4.651 -3.033 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 3.315 0.548 28.410 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 8.281 -6.131 -19.691 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 -1.771 -3.612 -4.352 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 -10.238 1.763 -6.324 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 3.314 -3.043 -2.050 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 -4.854 3.471 3.640 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 -11.260 -23.976 11.654 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 -5.106 2.014 16.092 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 -1.838 -0.192 -2.329 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 2.600 11.054 -0.624 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 -4.722 -6.176 -1.557 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 -1.762 2.265 -4.536 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 7.394 9.510 -12.084 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 6.346 9.587 -5.026 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 -4.316 -1.574 -4.542 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 -13.635 13.903 4.615 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 21.674 -4.321 0.137 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 6.965 -1.082 -0.638 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 -8.272 -7.663 -3.592 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 8.163 5.007 16.336 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 6.943 -7.636 3.147 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 20.444 -9.120 2.581 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 0.355 -4.564 14.937 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 5.436 1.738 1.002 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 -2.566 23.934 4.773 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 -9.716 4.054 -5.997 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 2.813 -3.981 -5.105 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 -7.178 -7.404 -15.631 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 -1.041 -8.783 -14.067 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 -7.551 6.324 2.485 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 -3.123 5.005 -0.204 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 -8.355 -1.386 7.130 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 -4.483 1.552 -2.443 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 27.177 -9.787 -3.848 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 4.732 -1.499 -4.731 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 -6.354 -2.818 0.891 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 25.854 1.482 -16.621 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 -7.979 -0.675 3.297 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 2.751 -0.145 -2.331 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 -0.410 -1.388 -12.931 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 1.185 2.596 -14.420 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 -3.661 -7.245 -0.602 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 -4.149 -12.346 1.092 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 -3.561 -8.940 -4.540 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 6.556 -2.091 -1.995 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 6.537 21.471 -15.041 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 -20.337 -29.310 -5.619 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 4.495 -3.012 3.156 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 7.720 8.640 -5.515 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 4.404 -8.740 12.583 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 2.334 7.144 4.518 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 4.792 0.160 2.342 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 6.595 -9.773 -7.500 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 1.528 4.392 5.121 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 -7.993 27.132 -2.656 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 2.853 -14.312 16.601 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 -2.984 -0.054 2.806 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 -3.591 0.439 2.694 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 32.089 -3.594 19.044 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 -4.004 3.360 -0.757 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 1.088 -2.413 7.791 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 -3.033 9.497 0.530 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 -2.884 2.669 1.451 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 -5.706 -9.211 7.045 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 -13.133 -7.816 2.960 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 1.065 8.049 0.215 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 -8.750 -18.322 -23.242 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 1.013 8.364 -1.803 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 0.467 7.946 4.791 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 4.331 12.003 8.705 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 -2.748 8.293 6.598 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 -4.519 -3.595 -0.179 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 1.468 -5.603 -21.652 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 -12.452 10.469 9.229 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 1.506 0.791 6.602 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 8.450 -13.130 12.344 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 9.143 -18.318 16.352 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 2.642 6.342 -0.986 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 13.659 -24.992 6.251 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 -0.629 -0.589 3.262 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 0.983 0.727 3.416 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 -2.054 -26.229 -6.923 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 -3.227 2.360 2.367 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 -1.515 -1.929 -2.768 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 2.565 -20.674 6.027 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 9.228 -5.137 -5.892 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 0.862 7.279 -1.506 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 -18.802 9.375 11.114 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 12.605 -9.411 8.823 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 7.780 -1.677 -1.626 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 -14.131 -0.356 11.434 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 12.104 -5.906 1.184 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 2.796 -2.658 2.581 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 13.546 7.169 -0.442 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 -6.475 -13.366 5.311 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 0.618 4.777 3.480 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 -6.978 9.818 -8.422 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 13.927 -2.990 -1.997 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 -1.919 -1.440 1.520 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 -14.165 6.615 -2.531 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 -6.080 -1.763 -4.791 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 -1.362 -2.615 0.669 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 2.772 -6.513 -1.378 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 -0.636 -2.799 0.492 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 6.175 3.743 -3.619 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 2.825 -8.489 -4.192 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 11.700 14.167 9.713 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 5.588 -1.359 -2.311 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 4.853 -4.041 1.946 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 7.055 -7.339 -16.475 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 -11.451 -0.125 4.184 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 4.117 16.024 -0.563 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 -7.482 4.161 1.769 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 -7.598 0.084 5.230 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 -0.576 0.060 -8.003 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 -16.070 -22.758 5.299 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 0.372 -1.425 -6.831 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 -0.631 4.447 31.633 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 17.430 -26.929 -16.490 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 -6.363 7.018 -1.822 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 0.928 12.393 13.440 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 4.246 -5.608 12.469 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 -2.882 -2.791 -0.381 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 2.716 -4.664 -8.403 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 -7.201 -13.205 -1.925 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 1.042 1.490 0.657 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 -1.874 13.466 7.928 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 7.426 0.234 -0.716 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 1.816 1.566 -3.549 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 -0.913 12.096 -3.906 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 -0.345 -4.467 8.599 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 -0.554 3.052 0.075 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 -12.116 3.331 -29.191 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 22.276 -27.837 1.788 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 0.641 -7.404 -4.948 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 6.621 26.632 -19.526 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 2.384 23.198 -18.396 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 -4.004 2.247 1.102 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 -6.348 26.562 3.636 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 5.158 -6.939 -6.083 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 -2.165 4.004 -6.110 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 4.115 5.226 7.166 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 -0.255 -0.696 1.802 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 -5.574 2.438 -3.036 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 -1.099 -7.186 1.164 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 1.132 24.602 5.247 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 -0.989 7.154 -5.873 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 -26.871 8.756 3.683 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 -25.630 21.014 -12.203 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 -6.713 -0.959 4.315 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 -6.232 -9.768 16.319 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 -10.917 3.755 10.994 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 -2.333 -0.190 3.014 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 7.705 21.121 -20.105 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 -9.504 17.421 21.287 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 3.803 -6.987 1.409 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 -20.842 4.977 3.331 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 -31.503 -15.854 6.064 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 1.493 -0.613 -1.163 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 -1.873 -3.351 10.233 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 -13.571 4.650 4.329 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 2.803 5.096 -5.290 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 3.334 2.931 2.614 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 22.891 -21.014 20.751 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 -2.738 5.921 5.689 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 11.518 12.286 23.856 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 -9.805 -5.077 17.748 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 2.181 -4.271 2.188 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 1.359 -3.819 19.111 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 13.533 -16.834 1.532 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 0.262 6.190 -10.018 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 -23.469 -20.459 -22.901 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 14.162 18.758 -2.662 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 -5.544 -2.483 -1.687 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 -16.318 3.341 -8.590 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 5.424 -11.702 3.647 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 -2.958 -10.649 2.813 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 -6.009 -10.459 3.411 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 3.767 -10.427 5.044 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 -3.758 7.551 1.046 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 -4.811 -5.130 16.898 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 -12.424 6.957 -1.861 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 1.699 -1.095 3.390 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 -3.357 11.720 -27.011 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 15.337 5.246 7.061 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 -4.426 -0.662 2.819 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 -13.456 12.045 11.915 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 3.161 -14.231 9.663 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 -0.572 -0.048 -4.193 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 28.852 -5.246 6.773 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 8.087 -11.898 -5.259 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 1.326 -2.680 15.907 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 -0.192 18.721 16.247 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 13.049 0.825 14.663 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 -5.965 -0.736 -2.295 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 17.716 8.019 -11.262 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 -8.882 -4.290 16.433 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 3.436 -2.700 5.133 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 8.934 -1.778 6.109 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 1.393 -4.107 10.153 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 3.187 6.596 1.258 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 -18.096 -9.031 -20.865 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 12.270 16.256 9.189 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 -1.409 -0.742 0.645 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 -9.803 22.222 -13.064 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 8.337 -30.728 -29.811 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 -2.434 3.842 0.761 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 -12.498 9.394 5.131 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 -4.455 10.313 3.209 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 1.697 2.606 0.780 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 0.655 5.307 4.816 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 7.906 -22.588 -0.235 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 5.067 -2.192 4.628 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 1.777 -1.331 -15.229 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 20.461 -9.386 -19.145 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 1.391 -1.942 6.712 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 17.292 -4.526 23.517 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 9.608 -12.144 13.871 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 8.236 -0.904 4.640 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 -5.706 20.828 -8.446 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 -0.209 -2.274 -1.986 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 -3.833 -4.256 4.493 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 -7.494 -13.783 -11.192 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 -14.334 2.269 11.594 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 -0.204 -4.968 6.130 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 2.923 -8.661 -18.757 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 -20.334 -3.824 14.014 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 2.563 -1.207 -4.380 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 10.423 3.243 -4.385 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 -14.970 6.952 -0.755 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 -0.886 -2.375 2.588 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 5.112 -5.811 17.061 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 -11.614 -11.481 2.900 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 -2.267 4.240 -6.269 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 0.540 6.905 -1.443 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 -2.769 -0.680 -4.751 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 3.495 -0.388 2.880 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 8.197 -1.170 15.798 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 -0.280 -16.884 27.417 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 1.115 -1.389 -3.012 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 -2.490 4.219 -7.008 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 2.425 3.459 -1.272 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 1.203 -3.646 -6.938 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 1.231 -3.462 -6.883 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 -2.218 -5.486 3.549 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 3.299 -9.970 -4.647 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 -7.741 -9.820 1.912 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 8.356 -0.717 5.383 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 2.624 -2.991 0.493 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 -20.970 23.703 15.296 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 27.395 8.127 -15.185 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 -1.202 4.936 -0.887 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 -3.143 -1.123 -0.871 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 -9.293 16.415 8.432 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 -3.706 -5.640 -3.120 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 -3.078 0.740 -6.922 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 0.742 -13.901 2.085 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 2.080 -8.813 1.461 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 -23.975 -7.794 15.683 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 21.651 -17.088 18.915 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 2.603 0.220 3.691 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 -16.687 -9.513 13.082 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 0.140 -17.397 18.127 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 -0.970 -1.741 -4.032 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 12.623 -3.860 10.331 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 7.780 0.968 1.870 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 -6.269 -1.875 2.726 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 -2.152 -15.360 16.132 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 30.758 16.221 -0.327 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 4.245 -2.148 -5.280 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 16.833 -4.972 12.543 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 -4.490 -0.820 5.363 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 3.133 -0.881 4.721 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 -2.239 13.606 14.037 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 -5.232 -11.925 7.837 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 -1.246 3.865 6.084 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 6.022 -1.233 -17.858 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 15.619 -7.672 -31.034 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 10.197 7.946 1.047 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 11.372 -5.405 3.031 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 11.329 3.813 0.884 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 5.324 5.617 -2.088 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 19.933 6.985 -17.575 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 6.487 4.887 -3.447 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 0.800 -3.482 0.404 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 5.206 -14.867 -16.553 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 6.605 9.148 -3.744 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 -4.544 0.907 0.435 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 -9.130 -2.631 2.136 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 -5.169 9.262 -12.703 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 -5.409 -0.273 5.509 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 -3.526 -6.857 12.517 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 -8.734 -15.479 1.437 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 -0.409 -2.422 -1.806 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 -1.543 -15.724 -13.208 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 0.697 -6.592 3.544 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 -5.903 5.761 3.695 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 -5.484 4.814 13.705 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 -4.829 13.477 2.357 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 2.424 -2.110 -3.756 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 -1.898 14.990 -2.887 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 19.095 -10.842 -1.654 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 -1.992 2.931 0.229 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 3.294 -20.303 -7.712 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 -6.600 1.427 -0.353 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 3.821 -0.784 -1.764 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 3.275 -0.759 4.637 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 1.321 2.180 -7.960 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 -5.934 -4.075 5.080 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 1.175 5.840 2.118 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 -1.048 3.182 2.719 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 3.249 5.878 4.782 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 -3.407 -3.485 0.769 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 -6.914 28.410 1.106 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 -2.278 4.507 2.125 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 -8.030 3.304 -3.322 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 -0.863 -11.181 -3.123 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 -0.891 1.314 0.855 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 0.847 -0.688 -6.231 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 6.353 8.269 -35.890 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 -4.361 -3.680 -0.782 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 -8.807 1.001 10.396 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 2.101 15.491 -17.851 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 -6.311 -2.108 -0.603 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 11.747 -9.308 -17.424 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 29.360 -4.724 1.017 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 -2.092 -3.917 -1.910 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 -5.888 7.378 -0.942 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 -0.064 -3.346 -2.704 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 -1.721 0.205 -7.882 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 -2.181 -2.760 -10.138 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 -1.747 -8.635 21.281 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 0.527 -3.950 3.154 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 8.264 3.983 -1.808 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 6.580 -4.617 1.004 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 -3.922 4.119 0.728 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 -5.297 6.011 8.403 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 10.439 -5.011 7.629 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 3.672 2.616 5.938 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 1.385 -1.998 -4.764 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 17.634 -1.109 11.534 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 -0.821 2.109 4.716 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 -11.946 -5.547 -4.725 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 -2.671 -0.709 7.286 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 -4.191 0.113 2.110 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 -17.568 1.334 -5.076 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 -1.080 -3.479 7.623 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 -3.891 2.785 5.817 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 4.474 13.367 17.251 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 -16.792 -0.651 5.716 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 -0.091 2.494 1.385 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 -12.434 -12.073 16.071 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 -5.081 -17.715 4.454 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 -4.023 0.405 5.379 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 -0.427 -1.146 1.476 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 5.320 8.261 9.150 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 1.008 -5.403 8.837 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 -1.094 -8.617 9.204 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 18.145 -32.791 6.105 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 1.572 -2.988 4.876 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 -26.694 -24.734 -0.555 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 14.673 8.807 -15.257 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 1.991 -2.346 -3.127 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 7.415 1.452 -3.099 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 -10.141 -8.277 6.492 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 2.385 6.286 0.776 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 -0.553 13.745 5.915 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 -6.010 26.991 -7.478 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 -4.231 -0.703 3.423 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 -4.695 -0.829 -1.410 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 2.848 8.539 12.354 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 -0.399 -3.254 6.600 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 -1.041 7.099 -2.180 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 1.897 -10.839 15.542 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 -6.968 -1.612 -1.027 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 -5.447 -6.413 9.631 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 -7.081 -0.773 -4.322 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 5.625 1.578 8.982 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 12.918 -17.408 1.801 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 8.262 10.152 -11.011 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 -6.153 6.911 -1.752 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 19.732 -15.857 5.251 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 8.008 30.749 -21.861 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 -0.832 0.271 -0.809 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 3.867 -8.911 0.215 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 -4.160 -4.454 -14.483 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 0.228 4.738 -1.893 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 -3.834 -2.364 -6.349 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 8.701 -1.619 -13.062 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 0.073 -5.817 -0.911 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 13.409 -26.648 -7.602 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 -4.040 -6.913 4.014 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 -2.952 0.833 -3.198 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 -5.959 -5.157 5.560 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 -12.922 -7.410 -13.544 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 -3.426 -4.259 2.781 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 3.896 7.361 -8.902 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 -14.103 -13.674 1.476 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 0.606 1.248 -1.517 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 5.330 6.437 13.478 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 0.072 -3.440 9.016 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 -2.227 0.683 -1.045 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 7.353 -2.292 -3.329 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 -1.048 -7.064 18.915 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 0.736 -1.551 -5.553 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 7.203 0.230 -2.889 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 37.198 12.419 -8.682 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 -3.604 -5.573 0.901 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 5.023 -5.031 -7.298 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 -1.987 -9.777 7.216 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 3.123 -4.537 -10.093 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 -30.241 16.880 10.388 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 -36.180 -6.535 8.062 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 -3.331 -4.350 -0.902 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 -8.083 -0.035 -7.776 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 0.563 -12.282 -4.264 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 -2.088 2.002 -2.094 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 -6.260 0.149 6.049 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 1.023 4.974 -2.118 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 0.050 4.289 4.479 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 -15.612 -3.847 8.730 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 2.862 -1.791 -4.301 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 0.312 -2.933 -0.516 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 -1.286 10.911 5.755 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 -13.335 5.632 -14.185 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 6.325 -0.523 -1.441 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 10.945 -4.598 -2.741 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 1.222 22.871 -6.759 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 -4.139 -0.609 -3.293 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 6.250 5.946 27.168 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 -42.962 12.520 -10.962 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 -3.409 -1.278 1.134 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 -35.211 1.711 -9.820 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 2.719 21.201 4.142 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 0.620 2.431 2.273 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 1.589 6.776 8.390 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 8.231 7.489 -4.049 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 3.411 -0.388 5.037 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 2.640 10.548 -8.733 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 -33.520 5.879 16.741 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 0.205 -3.080 -0.209 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 13.901 -23.974 -0.276 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 -4.641 2.769 -0.032 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 -5.499 3.616 -0.462 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 13.055 6.760 -17.080 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 -21.498 2.494 -10.816 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 -3.787 5.675 -5.011 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 -4.874 19.256 -4.149 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 -7.078 6.275 -3.260 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 -5.040 2.626 2.541 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 -7.954 2.521 1.116 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 -3.960 4.935 -0.810 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 -2.797 1.888 -2.983 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 0.245 10.189 -8.548 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 3.566 14.913 -8.475 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 -1.600 -2.772 -0.498 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 9.353 0.992 6.857 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 -21.292 -1.446 6.910 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 2.590 3.462 -7.716 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 34.726 42.313 3.108 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 13.215 -1.122 0.656 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 -1.926 2.421 0.459 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 -1.386 -12.235 3.121 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 -6.717 9.238 1.702 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 -8.058 -4.182 0.818 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 -6.421 -13.362 12.631 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 -9.305 1.369 -3.382 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 0.444 0.047 5.953 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 -22.687 -18.223 -2.019 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 1.514 -25.161 -30.008 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 -5.163 -8.083 2.547 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 -5.187 -7.153 6.231 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 4.160 -2.722 11.496 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 -1.270 -2.590 -0.423 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 -6.166 -10.264 21.787 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 5.378 17.949 -5.426 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 -4.823 -7.035 11.121 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 -4.436 -12.656 -0.213 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 8.771 -4.825 -15.390 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 5.850 -3.060 -2.433 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 0.889 5.298 -2.080 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 -2.901 1.689 -15.720 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 9.391 -2.283 -3.052 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 -6.156 4.018 16.755 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 14.824 -20.364 3.286 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 -1.163 -1.632 -9.090 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 2.526 10.298 -15.731 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 -4.973 -9.417 -2.845 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 5.826 1.938 2.997 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 -13.909 -21.556 -7.185 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 8.235 6.435 -3.053 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 -2.372 6.144 -1.627 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 -5.639 21.146 -17.784 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 -5.008 -2.813 11.015 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 -0.225 -1.699 1.163 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 6.707 -0.305 -0.283 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 7.964 0.702 10.743 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 -1.138 2.399 0.788 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 30.249 -13.535 23.286 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 18.369 -3.120 17.549 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 -1.739 1.433 -7.474 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 9.075 -13.177 -5.983 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 2.109 -2.174 -6.342 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 3.486 -1.539 0.328 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 -16.779 -36.691 -36.027 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 5.186 -21.320 42.955 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 -3.204 -1.440 4.344 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 -4.051 -4.148 4.539 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 -5.417 3.619 3.115 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 -0.966 0.686 -2.507 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 -9.474 -3.539 -11.821 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 0.952 0.861 -3.212 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 3.463 -1.741 0.542 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 -0.444 -3.209 6.047 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 9.337 -15.078 0.227 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 3.123 -4.666 3.290 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 2.163 0.338 -1.246 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 4.496 -1.624 -2.339 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 -4.915 -2.604 3.355 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 -17.722 6.342 9.286 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 4.344 -5.589 3.964 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 -2.970 -0.139 -3.945 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 -5.409 -1.711 -0.552 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 1.172 -1.297 6.564 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 3.062 -3.444 1.698 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 -8.768 10.192 18.368 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 4.815 -24.559 16.871 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 5.202 -0.600 -0.466 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 12.166 7.170 13.046 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 -16.161 2.934 2.798 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 2.851 8.978 3.045 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 8.650 -8.467 3.808 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 19.919 -10.395 -22.176 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 1.401 0.307 2.130 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 -2.490 5.076 4.731 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 -5.794 8.021 7.072 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 3.805 11.674 -5.923 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 40.039 7.374 -15.444 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 -15.559 -5.153 22.701 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 9.000 -3.560 -2.176 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 1.829 -13.608 8.995 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 -16.319 4.509 10.116 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 1.192 -1.366 -1.307 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 -31.119 45.211 13.338 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 15.731 -23.360 -9.870 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 -1.715 2.684 -1.171 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 9.386 -1.482 12.645 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 5.052 -1.815 6.420 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 5.129 4.456 0.384 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 -0.669 5.371 8.763 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 -8.846 -23.827 15.393 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 -3.373 -3.425 8.446 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 -4.083 -6.809 1.501 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 -4.749 7.052 20.055 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 -0.102 -2.271 -8.791 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 -34.437 8.243 -0.384 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 5.698 -17.743 9.992 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 0.392 0.875 2.998 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 -13.763 2.407 5.350 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 20.486 4.240 -10.896 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 3.274 2.642 -9.734 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 10.049 -13.163 -6.147 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 -4.504 8.661 5.575 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 -5.061 6.223 3.540 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 4.785 -2.125 1.983 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 -18.713 0.844 -6.784 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 -3.679 -8.989 -2.287 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 -7.834 2.096 -7.044 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 1.314 -8.667 5.881 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 5.098 4.701 -5.467 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 6.537 6.026 11.782 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 -0.103 -8.608 -8.279 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 1.976 -4.146 -0.953 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 5.466 6.570 11.699 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 -13.259 -1.425 -4.616 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 5.580 3.756 1.089 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 -0.583 0.505 -9.027 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 18.311 11.686 14.516 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 -2.710 -2.614 0.595 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 -0.299 -5.466 -2.360 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 2.525 13.035 -8.954 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 -0.308 -1.011 0.717 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 -11.576 1.541 -11.620 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 8.559 -7.269 0.237 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 -3.362 1.661 0.853 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 6.113 -8.168 -3.482 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 7.261 -11.943 -0.174 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 4.892 -6.145 5.768 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 11.266 -0.730 12.533 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 -7.124 -12.903 -1.284 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 -13.006 3.937 1.132 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 7.555 -22.575 -0.441 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 -2.525 28.391 10.257 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 4.926 -1.568 -2.739 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 3.552 -19.934 2.022 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 -0.578 20.164 -39.443 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 -3.128 0.326 2.720 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 11.700 -6.740 18.853 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 -18.865 -2.989 13.411 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 0.707 1.451 -0.766 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 9.231 -8.663 13.145 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 24.041 7.950 -16.715 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 1.292 -0.925 3.528 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 -12.282 -21.176 -9.898 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 -0.553 -9.808 7.174 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 -1.073 2.149 -5.273 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 -5.357 6.363 15.116 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 -4.056 8.477 -28.564 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 8.306 3.063 1.505 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 19.982 -29.849 -2.169 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 21.945 -18.053 1.444 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 -4.382 -0.487 5.448 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 -15.353 0.832 7.343 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 27.001 -0.805 0.440 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 -0.956 -4.038 -2.833 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 8.066 -5.402 -3.841 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 -17.470 23.794 4.869 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 -6.376 -1.091 1.467 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 -4.838 -1.313 4.918 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 18.032 -9.953 15.999 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 -3.016 -5.650 -4.142 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 4.472 -6.399 2.335 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 -20.793 3.073 -15.921 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 1.711 7.289 6.473 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 24.600 -7.212 3.842 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 -8.534 -26.026 -7.137 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 -0.304 1.975 -7.283 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 0.347 -17.931 -27.240 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 11.815 -4.261 2.010 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 6.058 -3.606 -5.877 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 21.764 5.269 5.819 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 22.507 -5.227 -6.363 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 -0.156 -1.961 4.987 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 5.120 -0.013 -3.558 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 4.901 -8.167 -0.851 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 1.410 2.140 3.697 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 -0.403 13.419 19.517 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 -8.287 -3.556 -1.208 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 -5.298 -4.631 -1.390 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 9.786 16.417 -11.571 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 1.575 4.066 4.443 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 3.581 -9.519 5.322 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 -10.896 4.994 -2.704 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 3.391 -11.502 1.810 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 -3.263 -4.336 3.315 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 14.189 4.417 12.783 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 51.672 -2.799 -16.245 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 2.737 0.079 -2.411 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 -8.026 0.053 1.108 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 4.929 -20.099 3.948 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 1.458 -0.471 1.855 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 -21.872 -2.905 1.391 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 9.928 2.992 -5.281 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 0.555 -0.034 -2.184 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 9.063 -4.489 -5.425 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 -2.576 -3.260 -10.318 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 -0.353 3.930 -1.391 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 10.588 -4.452 -3.834 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 -6.324 7.413 -20.745 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 -1.749 1.727 4.082 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 -15.291 -5.364 13.851 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 18.389 13.055 -10.966 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 -0.697 -2.289 -4.400 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 3.182 0.707 1.269 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 -3.647 9.580 -8.457 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 4.900 -2.154 -5.147 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 -4.728 -14.781 -7.143 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 6.262 2.178 -2.011 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 2.090 2.277 -1.746 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 1.706 8.092 10.259 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 -4.815 -0.801 6.100 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 4.295 -3.711 -2.925 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 -14.929 -8.364 1.586 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 2.188 13.367 0.633 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 0.992 6.930 -2.229 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 -4.729 6.458 8.551 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 4.287 19.557 -10.999 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 -2.160 2.229 -4.188 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 18.864 5.915 5.684 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 -18.141 11.554 12.940 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 -1.939 5.253 -3.026 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 -0.909 11.131 -11.550 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 -0.115 2.665 9.321 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 -4.679 0.723 1.171 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 8.671 -2.125 -0.764 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 -7.761 -0.031 6.736 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 1.911 5.748 -2.925 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 5.078 14.021 7.716 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 -4.951 -1.067 10.093 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 -7.068 -2.320 0.719 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 -3.088 1.014 2.658 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 2.709 -19.452 0.058 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 4.749 4.501 3.297 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 -17.396 -0.692 -18.685 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 4.652 -2.083 -4.263 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 3.477 -3.596 -0.272 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 10.106 -12.278 13.787 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 5.210 -3.048 -25.281 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 6.034 3.561 0.720 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 -5.265 18.306 7.158 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 -2.868 26.295 6.727 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 -2.314 5.031 -0.804 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 -4.357 2.961 -1.310 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 -14.538 6.445 7.195 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 1.375 -1.657 3.266 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 -8.260 2.388 -18.917 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 12.981 4.080 0.388 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 0.789 -2.372 -0.511 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 -0.914 -13.089 8.720 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 -8.281 7.232 4.821 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 -9.466 -3.723 4.761 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 -15.996 -1.197 0.550 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 -29.659 2.597 18.226 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 -0.969 -8.220 -4.347 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 2.652 5.076 4.382 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 3.232 -2.584 11.154 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 -0.561 -4.499 -1.532 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 -9.378 -0.716 8.484 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 -4.132 -17.762 -5.917 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 -0.691 1.877 -14.692 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 6.529 20.455 -14.945 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 -4.512 -6.283 -3.712 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 2.649 -4.269 -5.064 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 19.653 -14.553 -14.553 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 -6.626 -16.154 10.521 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 -5.260 0.881 0.138 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 -3.142 6.907 -24.818 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 7.500 -18.558 9.644 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 3.776 -1.923 -0.725 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 4.919 -9.742 22.088 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 0.476 32.803 8.938 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 -2.676 -3.231 1.710 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 5.971 9.069 -21.716 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 10.463 -28.027 7.558 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 5.536 5.393 -2.665 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 8.106 8.401 -16.992 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 -3.600 3.998 2.029 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 -0.585 2.584 -8.409 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 -0.726 -0.614 -3.399 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 -3.274 -1.315 -7.715 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 -1.072 7.781 -2.415 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 -22.309 5.404 1.976 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 -4.435 1.425 -19.640 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 1.309 -2.684 -1.503 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 5.533 -4.041 -6.795 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 12.469 7.548 4.439 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 10.224 -5.605 -2.014 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 9.243 -6.910 2.282 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 12.695 -7.807 -0.914 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 -0.222 6.177 -10.117 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 -16.178 4.111 -1.627 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 1.489 8.441 -6.690 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 4.986 -5.367 4.186 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 13.183 -16.325 -8.021 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 -9.110 2.935 20.417 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 -3.754 -5.871 1.053 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 2.689 -5.442 -3.669 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 -2.827 -4.076 -6.439 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 0.353 0.937 8.178 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 27.770 -8.806 -17.500 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 -5.056 22.959 -5.283 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 -4.698 0.243 3.436 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 8.388 13.726 -15.317 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 -16.752 9.731 -26.128 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 -5.842 -0.046 0.350 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 -1.075 -36.858 -25.622 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 -4.641 8.776 5.108 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 3.964 -0.910 -1.194 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 -5.162 -14.643 -2.691 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 11.513 -12.228 14.009 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 0.982 -1.045 3.578 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 6.590 -2.038 8.743 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 -6.687 3.487 6.476 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 -4.337 -0.708 0.227 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 -34.417 -1.000 -4.252 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 4.519 -3.918 -22.752 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 0.616 -1.181 -1.066 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 -19.966 -13.086 -8.439 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 0.797 5.340 -7.392 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 3.164 -4.154 3.645 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 -2.675 -8.516 9.933 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 -3.223 4.766 2.963 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 3.148 -2.450 5.336 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 2.299 -5.715 13.652 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 -13.051 17.815 -4.132 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 3.682 -1.876 -7.479 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 -5.821 13.953 11.203 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 -0.815 -1.328 -3.907 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 5.284 8.347 1.921 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 8.684 -5.154 5.515 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 5.535 -2.201 11.864 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 1.995 -0.634 -0.335 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 -8.788 -2.171 15.107 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 6.908 -0.617 -2.763 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 -0.804 -0.642 5.340 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 -6.468 5.239 12.359 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 -2.560 1.579 8.424 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 -3.339 1.365 1.030 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 2.166 3.818 -18.244 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 13.888 -4.408 13.923 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 -0.976 0.771 -3.271 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 12.962 2.996 13.764 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 3.951 -7.117 5.419 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 7.104 -5.829 -2.755 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 12.507 12.979 -6.150 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 -7.203 -12.186 -11.778 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 0.755 3.499 2.340 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 1.708 9.750 -25.801 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 -4.712 7.344 -24.732 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 0.335 0.326 -3.103 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 5.146 7.440 1.468 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 -4.004 3.263 17.454 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 -3.327 0.551 -4.985 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 -29.017 -13.972 -20.724 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 -18.881 -14.076 -19.002 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 -2.498 5.822 5.330 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 7.668 8.751 11.428 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 -16.617 -18.532 -7.541 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 -0.796 -4.841 -1.166 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 -13.871 -4.661 9.425 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 12.885 -17.804 -16.167 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 -1.135 -0.276 -3.282 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 12.717 -3.315 -9.659 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 -15.429 19.746 -8.302 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 4.466 -2.538 -2.544 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 4.725 -12.577 16.006 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 18.145 10.162 -12.333 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 10.004 -1.788 -5.886 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 9.372 -2.411 3.371 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 0.610 -0.202 -5.804 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 -6.569 0.883 -1.647 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 -24.470 8.258 0.950 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 -12.477 -16.882 1.703 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 -6.246 5.627 -2.796 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 2.593 8.149 6.642 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 -26.197 -3.499 -16.550 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 7.213 2.576 0.068 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 3.762 -2.753 12.485 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 23.033 -3.806 8.791 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 5.692 -4.735 1.552 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 -4.559 -28.359 4.431 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 10.306 -5.722 -22.159 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 -6.798 -0.718 0.846 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 1.665 7.311 -6.670 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 -3.426 -2.755 -5.285 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 7.631 -7.730 4.070 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 31.125 -32.859 -18.094 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 -7.092 -12.592 -14.744 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 1.076 -7.496 -7.361 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 -32.794 -17.939 31.492 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 10.621 -0.925 0.235 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 2.439 0.571 3.681 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 29.197 -0.787 -23.905 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 5.574 0.694 -0.330 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 -13.393 -9.314 5.988 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 12.767 22.789 20.406 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 15.901 -37.346 -3.528 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 3.013 1.379 -7.956 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 4.870 6.284 17.368 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 -27.688 6.608 9.913 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 -4.263 -0.322 -1.481 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 -2.203 15.995 -8.017 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 -5.862 -11.610 2.875 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 7.136 4.442 2.407 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 10.531 -12.917 10.738 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 -7.308 0.327 10.953 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 2.934 -4.951 2.463 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 -0.739 -12.716 7.808 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 -15.110 11.779 2.180 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 3.791 -3.752 2.583 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 -14.411 -5.445 25.990 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 31.953 -7.391 -15.154 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 2.364 1.237 1.265 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 0.959 17.430 -17.301 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 2.669 -10.745 14.793 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 -13.177 -2.635 -0.090 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 -13.153 -4.977 0.680 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 -12.789 -1.855 -0.208 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 5.031 -3.565 0.565 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 -11.556 -12.753 -2.600 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 17.499 4.007 3.722 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 5.408 0.383 0.307 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 -1.561 26.304 14.788 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 -7.387 16.255 7.621 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 1.140 -1.409 -14.333 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 12.077 -27.616 -9.797 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 19.167 33.277 21.597 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 4.631 -1.098 -2.596 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 -15.516 1.756 -12.399 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 37.229 -4.264 12.188 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 -4.094 5.400 -0.040 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 -1.093 9.869 1.026 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 -1.481 1.138 5.422 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 -4.989 -4.919 -1.771 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 -13.749 -11.560 -6.269 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 0.895 -3.784 -10.888 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 1.557 -2.118 4.335 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 2.268 16.956 -36.163 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 13.429 2.942 11.437 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 4.777 -0.611 0.602 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 0.649 9.614 1.614 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 9.653 -10.148 0.090 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 6.051 0.657 -4.617 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 -17.926 16.320 -18.873 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 18.603 -10.491 -6.015 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 -3.698 -3.895 0.640 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 -7.590 4.511 -2.404 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 -5.282 -3.420 -14.133 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 -1.302 10.514 5.248 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 4.279 -15.460 -12.225 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 4.707 3.784 9.270 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 -2.020 8.270 -1.506 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 -9.169 -0.307 9.487 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 -12.699 8.779 -11.506 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 1.951 7.528 -5.101 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 -11.368 -4.876 -19.853 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 11.329 14.216 -27.041 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 -2.931 5.152 -3.634 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 -1.974 9.847 1.371 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 0.969 2.142 17.685 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 -4.312 9.147 0.970 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 -11.257 7.088 31.478 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 -4.873 -18.227 -8.710 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 -2.788 0.259 4.655 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 10.985 10.797 0.986 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 20.973 21.681 2.246 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 1.272 -1.801 -1.586 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 -35.103 -31.874 -1.537 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 6.109 -12.992 7.289 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 3.798 11.710 9.768 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 -10.439 26.616 11.099 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 10.421 4.012 3.441 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 -4.143 6.388 4.524 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 -7.927 19.063 -15.244 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 -5.432 12.309 -1.698 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 -1.820 -5.506 -4.056 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 1.634 4.398 -4.218 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 -0.810 13.508 6.437 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 1.169 -3.844 7.027 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 2.550 -4.435 -3.019 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 2.623 9.096 -19.410 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 -2.048 -2.076 -1.939 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 -13.254 -10.941 -9.640 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 1.861 -0.692 3.171 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 5.886 5.783 1.022 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 5.175 -9.900 -2.568 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 13.792 -15.069 8.583 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 3.461 5.598 2.577 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 13.804 7.775 6.464 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 -24.667 -21.550 -9.237 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 -2.993 3.524 -2.122 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 -10.807 4.195 -8.491 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 0.503 1.512 -7.579 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 2.619 -0.139 -4.316 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 -6.617 4.180 11.215 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 1.042 -16.297 -19.534 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 1.568 -10.105 -1.567 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 -16.380 7.435 20.239 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 -26.372 -0.723 -24.242 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 -0.236 1.056 7.761 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 7.961 15.342 9.366 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 -1.138 -3.073 26.782 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 6.128 -4.379 1.240 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 -2.557 -20.623 -5.064 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 -15.399 0.813 -10.715 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 -1.431 0.388 0.443 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 0.003 -0.505 4.854 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 21.064 -9.960 -27.031 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 -4.516 3.209 -4.537 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 -5.416 3.380 -0.674 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 -8.909 2.710 10.202 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 1.087 -2.540 -0.166 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 1.570 -4.443 1.910 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 -2.680 -2.029 0.168 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 -4.242 -7.850 0.379 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 -4.583 -0.176 8.460 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 -5.519 9.344 -5.576 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 -3.138 -2.729 -0.742 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 16.368 4.241 12.654 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 -9.910 12.504 -2.035 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 2.490 7.304 -1.320 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 0.302 1.030 13.588 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 17.897 9.877 14.947 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 -0.289 1.524 -1.744 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 -6.062 -8.879 -0.411 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 11.444 19.402 -10.322 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 0.033 -8.307 1.136 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 -0.285 -10.077 8.288 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 -6.909 4.078 20.550 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 0.696 1.171 -6.405 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 0.693 -0.986 -5.266 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 4.957 -7.861 0.286 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 2.582 -7.121 11.354 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 7.661 -13.295 0.164 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 -11.046 7.131 3.247 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 -0.339 3.836 -4.205 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 -1.036 21.393 -18.404 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 -5.443 -19.650 -14.335 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 2.301 -3.541 3.149 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 5.414 1.235 18.371 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 -19.276 -18.195 -8.491 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 -3.306 5.768 -0.802 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 12.729 8.577 -2.918 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 -10.397 0.400 9.464 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 -10.057 -2.961 -3.075 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 -4.842 -13.135 -8.176 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 -12.474 3.297 -15.856 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 4.165 -3.878 -2.072 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 2.721 0.376 -2.067 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 -4.072 -1.999 2.071 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 -2.048 1.391 5.337 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 5.304 4.442 6.966 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 -2.311 -17.844 -18.438 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 5.848 -0.842 -1.794 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 7.246 2.339 -12.225 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 -6.085 0.710 6.058 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 0.172 -0.076 2.168 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 -15.664 -0.476 -17.505 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 -14.381 -10.596 -17.259 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 -1.848 -1.910 -2.701 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 8.853 -16.187 -13.274 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 -7.518 -11.931 17.908 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 8.604 -2.671 -0.138 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 13.492 -3.342 1.441 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 0.774 -9.099 15.822 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 0.132 -0.478 2.747 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 2.631 1.377 3.790 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 -12.258 1.967 11.857 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 1.508 -2.784 -4.122 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 8.596 -2.602 2.933 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 6.100 -22.725 15.740 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 4.724 1.450 -4.679 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 -0.486 -5.560 -13.435 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 -0.488 -13.188 -11.393 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 -0.927 -1.858 -0.883 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 -2.792 -26.102 12.276 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 -25.195 13.658 -0.441 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 -0.699 2.625 -7.115 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 -15.066 -5.038 8.655 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 -0.084 20.343 -2.190 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 -3.876 -2.826 -0.378 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 -1.518 -19.531 -1.506 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 8.922 -1.082 23.977 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 5.807 -5.121 -5.507 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 -0.361 -6.098 -4.992 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 2.313 -7.052 -5.392 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 1.071 -8.284 -0.786 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 7.067 -7.800 -2.780 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 5.569 -1.115 -11.016 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 1.434 3.252 -3.113 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 -14.772 11.398 18.708 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 -28.720 -17.276 -7.841 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 -0.821 -8.144 -8.597 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 3.978 6.494 -11.705 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 -6.252 -15.628 -4.972 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 6.411 3.123 1.311 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 22.634 -9.053 19.458 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 26.279 -8.583 11.938 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 -6.183 -5.600 -7.668 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 -14.207 10.903 1.166 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 2.615 -38.345 -21.833 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 0.167 -3.342 -0.125 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 -12.215 -6.971 5.056 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 -12.464 -4.651 5.252 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 2.848 0.718 -1.364 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 -0.758 5.873 -7.842 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 -0.411 8.674 -0.792 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 -0.042 -1.659 -1.362 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 7.192 -7.395 -22.342 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 13.691 -1.043 -3.999 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 -0.791 -1.037 2.333 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 -0.093 -2.462 0.946 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 -6.605 3.088 14.768 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 1.931 -3.800 1.647 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 35.047 -7.130 -15.964 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 -20.475 -3.296 -16.019 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 5.839 1.629 -1.944 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 10.764 -12.807 0.501 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 1.652 16.323 -8.823 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 5.530 11.148 2.357 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 -46.777 -28.231 -10.085 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 12.278 15.481 2.586 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 0.189 -6.444 -4.860 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 -10.182 -5.216 -5.529 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 7.845 -8.299 9.510 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 4.524 -6.770 2.237 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 4.136 -12.447 -1.103 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 -4.765 -4.090 10.086 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 6.316 -0.537 1.451 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 17.093 -35.895 -12.797 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 -7.472 -22.215 11.510 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 0.462 -0.769 -7.471 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 -15.851 -4.603 -10.651 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 -1.735 16.573 -1.983 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 -2.452 -9.173 -0.415 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 6.756 -26.180 -15.746 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 -1.289 -4.931 -22.105 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 -2.124 -5.705 1.314 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 -5.025 15.294 -15.751 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 -2.326 -4.242 -5.654 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 2.196 0.545 1.539 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 -1.075 -8.064 8.875 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 11.624 -6.429 -6.914 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 -5.651 -5.085 0.171 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 -12.749 14.914 10.685 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 21.358 -16.055 -14.016 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 -2.196 -4.588 0.774 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 -13.725 -31.738 2.154 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 -5.151 2.874 -5.204 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 3.440 1.163 3.811 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 1.876 17.531 -2.121 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 17.357 7.972 -2.836 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 -4.773 5.402 -1.313 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 -6.246 5.415 -5.077 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 16.020 25.610 -10.004 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 -3.801 -8.118 -2.149 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 2.942 -6.266 -5.836 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 -10.395 3.977 2.468 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 -1.147 1.024 -5.606 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 8.378 0.230 -10.151 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 17.967 -1.018 -2.612 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 1.450 -4.323 5.381 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 -0.995 2.044 24.597 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 5.926 3.984 -22.703 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 -0.654 -0.778 -2.927 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 -14.691 -17.539 -7.560 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 13.037 -11.237 16.812 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 3.808 0.135 -2.553 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 10.197 -2.596 -8.705 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 -4.818 5.006 5.156 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 4.092 2.278 -2.665 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 7.224 13.531 6.356 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 -1.180 18.787 -19.477 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 -6.743 -3.517 2.740 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 -3.461 -8.458 14.023 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 -16.477 -10.875 -2.224 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 -2.307 -5.346 0.564 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 -3.505 -8.210 15.734 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 -4.809 -5.891 12.352 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 -5.557 -0.985 3.831 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 -9.049 -1.122 7.291 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 -4.942 1.365 18.810 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 -10.495 5.395 -1.303 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 13.587 7.157 -12.794 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 -22.125 -7.496 5.167 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 1.208 -1.903 7.724 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 -18.836 9.729 10.343 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 21.951 17.104 2.785 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 0.644 -1.958 0.067 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 -10.316 -15.247 -3.696 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 -2.750 -13.322 3.434 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 1.480 -0.920 -0.006 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 -1.346 -2.557 1.208 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 9.449 6.396 -3.055 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 4.736 -4.154 5.157 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 -1.274 -9.769 2.373 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 -16.126 -7.306 -2.603 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 -0.016 -2.125 -0.284 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 -15.457 -0.029 -16.968 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 7.120 22.171 -35.468 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 2.623 1.121 -6.503 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 -17.247 -8.356 -14.618 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 -6.832 9.770 -8.912 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 -6.690 1.931 -2.304 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 11.147 12.302 2.966 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 -8.927 22.834 9.196 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 -4.069 -3.168 -1.175 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 -11.473 -1.175 -26.007 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 -17.023 -12.623 3.008 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 -3.767 0.153 -0.914 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 -24.251 2.244 -27.018 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 -2.127 0.931 2.958 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 0.102 -0.806 -3.771 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 3.430 11.007 24.577 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 -2.923 -7.667 -33.230 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 -3.666 1.989 -9.184 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 1.468 2.121 -13.409 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 -9.899 -3.835 15.620 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 0.769 3.039 6.856 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 2.599 5.583 11.609 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 6.501 5.968 14.847 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 2.657 -3.605 -2.671 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 28.043 20.021 10.963 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 -24.334 -1.577 -3.815 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 5.234 0.933 -3.125 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 10.848 -1.150 15.695 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 -15.779 4.317 -3.877 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 -3.180 -1.528 3.875 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 -8.479 2.990 -8.291 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 -11.936 -3.015 12.777 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 4.333 -5.227 1.557 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 14.951 29.932 39.710 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 -2.524 -10.750 -10.568 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 -1.376 0.866 -1.355 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 20.060 -10.393 2.550 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 8.009 1.617 -15.296 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 -0.604 8.581 1.205 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 26.746 9.484 -30.454 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 -8.733 8.580 10.639 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 -3.720 0.102 2.758 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 -1.623 1.175 0.750 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 8.129 5.004 -13.156 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 0.965 3.062 2.419 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 9.929 -2.687 11.088 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 32.905 8.017 -1.873 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 -8.689 -1.132 -5.083 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 6.911 22.075 -0.344 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 11.304 3.787 21.125 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 -0.713 1.639 -4.350 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 27.407 -5.302 9.775 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 9.195 28.443 -19.789 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 -1.658 3.022 3.463 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 6.479 -1.224 13.680 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 -11.805 6.112 -7.973 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 4.616 0.257 -3.592 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 -1.377 7.421 -7.337 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 1.008 -7.759 -2.320 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 -1.639 2.246 0.989 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 18.427 22.109 12.695 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 -0.340 4.335 3.532 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 5.136 -4.623 -10.552 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 1.991 -4.485 -27.961 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 2.860 -11.901 -11.210 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 0.207 -1.313 4.145 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 -9.737 -2.816 5.534 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 11.330 -12.154 0.686 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 1.202 0.653 3.504 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 1.416 33.817 7.598 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 5.521 4.087 -2.439 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 -3.444 -1.221 -1.265 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 -9.723 -17.803 -14.817 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 6.539 8.393 -7.243 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 5.719 -3.028 3.252 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 -21.709 -21.120 1.270 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 25.503 -22.840 11.958 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 -0.562 5.264 0.752 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 13.385 12.707 15.689 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 -24.733 -1.893 -19.422 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 -3.571 -5.194 -0.649 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 14.552 15.494 -2.101 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 -1.326 -1.230 -3.051 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 0.188 -4.415 3.682 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 1.042 3.597 13.167 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 -8.219 -3.673 -2.997 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 -0.728 -0.728 -2.461 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 -6.922 -0.587 -6.358 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 1.247 -4.224 7.803 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 -2.321 -2.471 -2.608 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 -8.357 -4.523 3.769 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 -5.563 -7.204 -10.284 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 3.050 1.298 -1.313 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 -9.739 2.134 1.784 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 -0.807 14.390 1.313 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 1.986 -1.488 -1.635 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 -7.213 -2.552 -5.267 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 -4.119 -4.225 -7.904 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 3.652 -0.324 -7.813 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 6.147 -3.125 2.681 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 3.021 7.263 -13.066 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 0.582 1.293 6.667 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 17.235 23.564 -3.031 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 -6.948 -8.795 10.009 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 -3.644 -2.932 -5.392 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 -6.008 -6.955 -7.669 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 -0.369 1.487 -1.906 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 -2.020 5.105 3.246 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 3.044 26.921 11.343 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 -3.613 3.129 3.149 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 -7.475 -2.764 -2.605 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 5.536 0.880 14.154 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 -3.705 -2.611 3.392 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 3.137 -3.744 -2.772 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 8.489 -0.568 8.888 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 -3.447 -12.208 -2.768 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 1.484 0.672 0.266 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 14.536 10.201 0.448 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 -2.911 -0.358 -13.488 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 1.125 5.921 -0.965 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 -2.511 -4.366 4.817 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 1.669 16.294 7.997 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 -4.031 6.573 -3.330 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 -13.687 -30.726 4.635 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 0.898 15.347 -9.303 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 3.443 1.959 -4.992 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 2.084 -14.365 -6.002 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 -9.411 7.418 -6.358 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 2.878 -8.997 -3.675 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 14.013 -1.674 -6.868 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 4.313 -10.017 10.258 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 -6.035 3.280 -1.296 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 -4.639 -4.944 5.865 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 5.424 -2.673 -5.835 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 2.225 0.883 -5.094 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 7.100 2.190 -4.254 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 3.394 -7.207 8.547 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 1.158 -1.066 -3.864 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 -11.213 -5.812 -5.973 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 -4.277 -3.044 -4.564 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 3.404 2.507 0.893 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 -1.852 12.992 1.124 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 6.296 -5.540 4.874 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 -8.312 -3.332 -1.549 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 -4.348 -18.297 -9.480 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 22.011 -11.387 -16.105 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 4.499 1.933 5.800 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 -3.820 4.235 -14.556 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 -9.995 -10.550 14.947 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 -2.560 -1.465 0.594 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 -17.934 18.133 -0.330 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 -20.308 -6.190 -22.318 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 4.092 6.411 8.135 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 9.066 -3.302 14.374 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 -4.430 23.230 -2.685 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 4.509 5.746 0.389 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 -2.746 6.927 -1.257 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 5.188 0.986 0.675 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 -2.782 1.439 2.773 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 0.881 -8.239 -10.534 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 7.722 5.412 6.264 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 3.337 -0.126 -2.602 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 -2.844 0.646 -15.063 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 1.479 1.974 -13.240 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 1.072 6.760 0.744 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 0.847 21.647 7.602 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 -0.077 -23.843 -7.248 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 1.848 6.172 -7.518 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 7.646 -6.830 -13.576 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 8.791 20.584 1.735 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 9.394 1.258 2.914 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 13.924 11.215 8.369 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 10.119 4.231 3.083 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 3.775 0.252 -9.049 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 6.094 5.490 -17.857 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 4.100 -11.007 16.031 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 -2.284 -3.949 -1.519 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 0.331 -27.074 4.028 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 -5.632 0.611 -22.872 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 -2.796 1.593 7.907 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 8.068 -2.852 -6.847 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 -0.821 -7.581 -9.406 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 8.047 6.532 -4.207 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 16.639 0.076 14.204 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 7.361 15.522 -2.421 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 -1.711 -2.693 -3.570 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 -4.015 -1.190 1.299 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 -7.155 -15.780 21.259 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 -6.386 -3.211 0.746 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 -0.673 -3.680 -11.827 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 -5.111 -1.128 1.140 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 0.204 0.786 -4.077 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 14.275 -10.158 -7.657 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 -7.428 -28.391 0.023 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 -0.640 3.571 0.859 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 -14.227 0.365 40.087 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 4.987 -6.373 -28.458 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 -3.927 -0.976 -2.543 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 9.664 -6.447 -6.215 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 -9.440 4.114 9.289 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 -3.499 2.078 -1.757 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 0.977 -3.163 8.009 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 -25.253 -7.606 14.389 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 5.330 2.663 -2.972 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 -10.852 10.960 21.552 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 9.139 -8.319 -5.772 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 6.216 9.278 -2.492 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 -22.131 21.557 -3.201 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 11.611 -8.575 0.087 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 2.311 0.572 -7.327 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 5.461 8.997 -7.844 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 5.166 -17.306 -8.739 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 1.684 -4.128 -1.461 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 10.124 20.031 3.738 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 -1.858 -3.887 -26.498 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 3.343 0.748 5.788 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 -5.566 30.399 -1.357 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 6.807 -3.814 15.241 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 1.718 -2.502 0.450 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 -9.207 -5.759 -8.895 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 3.062 -0.388 -0.607 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 -1.075 4.085 -3.392 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 -7.289 2.735 -11.479 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 1.004 2.851 4.679 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 4.792 -1.533 -4.645 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 -4.409 -19.015 -3.952 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 5.198 7.554 -0.349 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 5.162 -2.376 0.298 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 24.068 -29.684 9.694 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 10.767 4.937 29.064 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 2.169 0.679 -4.399 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 -11.189 -3.587 -4.204 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 7.853 2.214 -4.691 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 10.355 3.851 6.413 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 7.813 -35.587 26.295 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 3.810 16.682 -7.827 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 2.123 0.045 -1.086 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 0.526 -16.869 -19.246 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 -31.446 4.985 -11.915 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 2.107 -3.174 -4.539 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 1.501 -16.685 5.117 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 4.006 -11.319 -19.144 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 -6.639 4.438 -2.560 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 -29.237 13.161 -26.555 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 -5.575 -15.147 6.927 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 3.389 0.472 2.249 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 -6.192 24.170 7.591 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 16.312 -20.108 -6.300 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 0.635 3.168 -3.721 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 -27.703 1.606 4.024 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 -34.375 0.946 7.537 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 4.760 -0.658 4.512 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 0.032 -1.730 7.642 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 14.239 -0.005 7.312 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 -0.913 -2.221 -0.499 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 8.242 3.991 -12.497 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 -12.148 0.488 1.476 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 0.225 -1.136 2.212 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 6.124 -4.502 13.239 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 3.835 -20.892 -5.010 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 -3.518 5.250 -5.617 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 -0.255 4.805 8.941 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 -6.563 6.259 11.485 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 -0.552 -1.629 0.125 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 10.104 -3.884 10.042 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 28.394 -10.158 -17.254 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 3.423 -9.160 2.495 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 6.202 2.080 6.228 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 9.058 -16.236 4.701 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 1.474 -4.606 -7.477 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 11.556 -0.423 22.320 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 14.253 2.278 22.054 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 2.712 -5.062 2.006 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 -7.439 -13.357 9.032 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 9.564 0.772 9.204 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 2.866 -7.859 5.338 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 -10.802 -14.317 11.040 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 -34.646 -2.293 12.947 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 0.397 -1.862 -5.679 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 28.522 -2.480 -1.269 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 -10.526 -23.978 20.444 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 -2.540 -2.723 1.052 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 12.880 10.578 -0.192 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 -21.742 -16.460 -13.956 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 0.546 -9.111 0.647 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 -0.788 -5.732 -3.407 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 26.357 -6.834 16.178 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 -0.454 7.161 -4.981 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 -12.433 14.302 -31.160 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 22.751 -1.654 -7.363 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 1.311 5.092 -5.624 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 -4.598 2.282 7.271 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 7.806 13.039 -6.441 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 3.577 1.509 2.567 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 10.132 -1.904 12.467 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 -0.390 -3.965 -0.600 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 1.120 6.743 7.554 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 -1.284 3.458 -10.967 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 9.946 18.315 1.178 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 9.402 2.640 4.916 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 0.941 -7.086 8.126 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 7.079 13.723 12.254 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 -0.501 -5.019 3.529 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 1.695 23.706 -2.948 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 1.176 -16.551 10.790 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 -3.798 -1.492 -0.468 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 -10.254 -8.817 -7.326 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 -0.460 -6.510 9.440 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 -3.532 -3.507 -4.836 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 8.920 -3.453 29.242 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 0.217 1.921 -14.278 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 2.418 -3.092 1.131 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 -5.638 8.925 -0.899 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 16.357 -13.604 -4.072 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 -0.459 3.134 -1.975 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 5.698 -22.650 13.595 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 -17.225 -3.960 -12.424 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 4.727 -3.787 1.310 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 -9.442 46.213 -24.446 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 -3.652 -3.739 -18.954 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 -0.734 -5.459 5.851 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 1.444 -2.364 -5.709 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 -2.468 -2.381 9.452 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 -4.902 3.413 -1.427 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 10.936 9.511 -12.624 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 3.170 1.269 14.807 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 -3.801 -6.322 -0.284 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 -23.203 -13.114 6.697 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 -3.847 7.398 11.982 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 0.721 -1.378 -1.705 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 -4.595 2.367 23.471 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 11.139 1.563 -13.665 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 6.732 4.054 -0.415 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 -17.664 -8.020 -5.041 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 19.365 -2.440 -5.682 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 -5.729 7.238 6.920 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 7.549 18.993 -3.965 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 -30.245 4.882 -5.406 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 1.569 1.833 2.199 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 -15.878 -11.679 1.875 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 6.136 0.530 -31.283 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 1.496 4.902 -1.827 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 14.043 -12.952 16.604 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 27.537 -21.286 -30.641 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 2.868 1.163 -0.876 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 -9.143 -8.703 -8.400 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 7.843 8.362 2.636 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 -7.278 -2.675 5.406 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 -13.611 13.619 6.233 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 -5.665 17.636 -11.076 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 1.353 -0.573 4.999 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 -5.569 -0.671 2.491 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 -17.085 -2.232 -4.462 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 -2.646 5.582 -2.727 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 -2.097 8.519 -1.672 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 11.048 1.443 -14.307 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 2.851 -3.153 7.149 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 1.049 7.783 17.701 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 4.205 4.716 -6.059 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 -0.338 2.166 -4.988 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 -6.556 9.135 -8.448 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 2.960 -14.502 -9.364 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 0.145 2.447 4.128 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 -19.209 4.233 -23.883 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 4.548 -8.169 -21.325 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 4.294 -8.527 6.375 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 0.655 5.968 -3.568 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 23.113 -10.443 14.994 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 0.131 0.482 1.434 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 21.537 5.635 -5.549 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 -4.544 -15.078 -12.956 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 4.237 -0.499 -2.956 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 29.163 3.670 -0.169 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 -8.601 -25.517 -9.681 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 6.783 -0.964 5.137 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 -9.731 -5.307 5.292 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 12.059 12.904 8.551 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 3.922 -7.920 -2.407 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 -0.524 -10.905 -9.979 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 -5.486 1.800 -1.767 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 -1.990 -1.515 -4.109 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 2.077 -4.266 -11.983 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 9.357 -5.483 2.391 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 4.888 -5.705 -4.165 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 -5.245 -6.148 0.119 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 1.648 -18.244 -9.378 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 -2.501 -1.289 3.654 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 -16.354 -20.138 4.308 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 -11.355 4.879 -9.725 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 -2.659 2.286 -0.554 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 26.363 -17.188 15.831 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 -4.007 -7.132 29.700 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 -0.839 3.054 -3.688 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 -4.161 -10.336 -16.811 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 0.466 6.050 4.121 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 2.325 -2.268 -1.730 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 1.532 -3.370 5.315 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 14.240 -23.369 -11.432 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 -2.187 3.636 1.634 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 -10.919 5.310 5.230 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 -12.877 -0.847 5.202 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 -0.941 -2.909 6.037 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 27.703 3.453 -2.001 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 -7.792 -6.149 13.968 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 1.042 -3.384 0.824 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 25.874 -1.318 -13.205 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 6.781 -7.153 -6.099 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 -0.203 1.851 -0.959 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 -0.772 7.067 9.237 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 4.522 6.840 -1.638 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 1.129 -1.097 -3.516 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 11.330 2.698 7.077 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 2.591 -1.785 4.514 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 -2.050 -2.383 0.408 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 -9.862 -9.420 -2.733 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 11.164 5.095 14.996 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 0.326 -4.284 3.922 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 5.092 -5.406 6.112 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 -19.552 13.158 2.083 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 3.660 7.110 2.713 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 -16.013 -13.726 8.847 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 -6.940 0.534 4.621 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 1.519 3.036 7.690 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 -3.668 -3.276 -19.026 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 1.641 12.325 11.542 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 -2.960 4.196 -1.910 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 -12.172 8.022 -0.297 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 -13.568 10.198 -0.467 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 -4.143 7.177 -1.810 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 -19.182 -5.057 -32.102 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 -26.783 -2.698 -14.850 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 -5.438 3.651 -0.532 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 3.313 -0.813 3.763 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 0.186 18.285 3.767 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 -5.684 3.728 2.481 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 -6.654 20.743 -4.626 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 11.059 2.478 10.151 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 -1.519 -0.857 -3.516 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 4.961 1.032 1.507 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 -21.449 -11.586 -21.628 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 -5.820 3.623 -5.687 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 34.137 13.309 13.965 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 -7.974 -9.858 -16.188 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 6.403 -9.418 7.680 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 10.782 -14.154 3.271 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 14.403 -9.519 2.262 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 -2.702 2.867 2.046 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 -10.400 5.668 -3.151 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 -2.409 10.751 8.822 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 0.201 1.690 -3.667 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 3.502 -31.013 -10.591 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 0.327 8.066 -1.846 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 -2.832 2.198 0.113 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 -1.960 3.467 2.303 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 -0.956 -9.047 6.833 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 -0.991 -1.285 -4.080 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 -2.319 2.059 -9.344 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 6.008 -1.548 -4.748 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 -2.857 7.773 -4.501 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 -0.260 4.736 0.332 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 -0.882 8.427 -7.338 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 -2.495 3.690 0.817 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 2.916 -8.905 9.377 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 18.100 15.206 -19.323 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 1.944 -0.509 0.151 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 -7.216 -10.461 7.131 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 -1.843 2.201 15.038 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 -0.042 -3.274 7.893 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 3.699 -14.060 19.496 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 -0.389 4.744 6.386 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 5.888 -0.419 2.054 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 9.063 -12.327 13.547 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 13.316 -5.778 -12.551 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 -1.177 2.105 -0.243 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 5.372 -10.131 2.423 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 -0.644 -9.940 6.711 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 8.033 -3.089 -3.380 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 -2.787 2.757 -7.390 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 29.629 -1.282 1.964 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 8.633 2.281 0.433 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 3.518 -5.051 -1.784 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 7.334 -4.232 -11.434 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 -1.201 3.573 -2.040 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 -2.579 17.694 -7.841 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 9.925 9.149 16.920 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 -2.866 -1.649 1.270 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 7.147 -20.988 8.029 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 -2.216 -11.562 12.316 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 -0.167 -5.176 2.959 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 -17.790 -8.887 4.980 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 -22.651 -8.941 -1.352 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 -3.124 1.353 -1.155 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 -10.202 2.648 13.713 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 -15.374 -3.369 -10.902 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 1.988 7.686 4.192 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 0.616 -3.858 -13.689 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 1.426 6.424 0.491 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 5.245 -3.180 -4.585 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 -32.192 -1.924 2.323 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 -9.408 -1.698 -11.605 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 2.028 -2.035 -1.798 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 -8.830 -13.865 5.223 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 7.981 19.828 -7.582 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 2.100 -0.429 -4.538 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 -12.604 1.635 8.649 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 10.802 10.124 -17.551 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 2.605 -5.914 -1.486 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 -2.931 -6.135 -12.411 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 -9.072 -9.736 8.798 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 -1.136 -2.827 -1.535 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 -3.370 4.360 -1.173 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 -18.892 -5.103 14.855 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 -0.218 1.703 -0.637 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 1.475 2.526 -5.951 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 -31.014 -2.365 -9.680 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 3.018 2.616 -1.006 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 12.774 1.505 3.276 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 37.311 4.489 9.252 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 -4.140 -2.218 4.847 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 -10.907 -11.501 2.938 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 8.388 3.941 -6.006 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 -0.578 7.867 3.729 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 11.391 8.300 -0.180 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 -9.199 -13.116 22.660 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 4.168 -1.421 -1.313 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 6.783 -32.179 0.161 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 21.180 -4.572 17.489 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 2.799 -0.862 -4.385 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 -6.138 -3.275 0.490 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 -0.581 -1.965 5.769 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 0.676 0.093 4.309 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 4.093 3.922 2.420 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 -10.013 1.422 -8.521 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 -8.935 0.742 4.806 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 -22.555 17.134 10.090 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 6.266 -13.224 22.245 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 -4.698 -7.774 5.715 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 -11.129 -9.683 -6.614 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 16.247 -17.154 14.497 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 5.831 7.340 -3.774 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 -8.371 -3.086 9.999 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 4.964 5.856 10.788 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 -2.300 4.390 6.262 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 1.208 3.775 29.036 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 3.081 3.752 28.590 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 1.448 3.707 0.156 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 5.307 24.783 6.540 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 -1.702 -3.501 -9.691 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 0.113 4.842 2.013 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 -0.324 -0.554 12.494 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 -5.693 7.829 8.406 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 -1.267 7.245 3.400 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 -1.501 -8.678 7.562 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 -3.661 7.467 -6.315 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 -5.496 6.058 6.459 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 0.963 26.803 18.486 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 -4.360 21.239 18.329 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 -0.640 2.370 -3.597 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 -4.204 18.134 -4.715 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 -0.790 13.132 -5.808 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 5.127 2.801 -1.651 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 14.391 5.674 0.465 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 4.664 -6.682 -3.995 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 -0.988 1.475 -5.754 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 10.054 3.337 -7.162 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 0.054 -2.815 3.404 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 8.991 0.331 -1.418 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 -30.201 29.418 -10.240 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 12.679 10.326 0.585 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 3.992 0.348 5.795 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 3.457 -5.413 4.140 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 5.120 2.242 7.702 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 -1.561 -1.339 -4.397 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 -4.654 15.256 -3.327 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 5.653 -1.476 -9.497 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 3.420 0.730 0.623 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 12.129 10.995 -21.948 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 12.047 -12.151 0.783 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 4.275 -4.776 -1.890 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 -5.056 -18.302 1.091 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 3.163 -9.375 -1.409 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 -4.768 0.789 -1.535 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 -1.942 5.264 -0.548 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 3.999 8.786 0.410 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 3.043 4.587 -1.645 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 -5.536 -0.203 -5.771 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 -1.569 4.263 4.583 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 0.657 2.475 1.478 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 13.236 -18.584 -14.165 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 22.445 20.347 9.906 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 -10.770 2.833 2.628 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 0.644 -15.048 45.077 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 -23.245 -6.031 -14.024 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 1.981 0.171 2.244 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 6.054 3.338 -4.675 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 8.030 -5.799 -4.373 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 -1.088 -12.979 -0.092 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 -12.716 -22.786 -13.844 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 28.083 -8.471 -11.782 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 6.184 3.093 12.960 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 19.087 14.769 10.067 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 2.585 -14.307 -13.975 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 -8.258 -1.043 8.503 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 11.109 2.203 26.114 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 -5.317 -7.898 -20.714 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 -3.349 2.212 2.890 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 -6.754 -13.015 24.711 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 -23.326 1.323 -5.465 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 -10.247 5.327 -4.129 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 -8.131 10.049 -1.197 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 0.690 20.485 17.043 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 1.601 4.457 -0.449 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 -6.146 20.019 -13.343 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 -23.606 -1.792 -6.147 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 2.294 -1.172 1.496 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 1.018 9.470 3.736 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 5.257 1.515 -13.522 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 -2.515 0.367 -14.046 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 2.428 28.453 -12.399 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 -25.607 -4.456 -9.535 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 -4.226 2.151 0.559 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 -9.265 -4.573 13.372 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 0.780 18.697 3.051 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 -1.156 0.590 -5.640 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 -2.248 -5.482 7.032 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 -11.330 -1.287 -11.875 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 5.342 2.213 3.570 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 -9.485 -14.748 28.170 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 8.202 -6.958 18.382 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 1.345 6.544 -0.103 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 -1.807 1.018 15.235 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 1.758 6.991 -11.460 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 5.772 -9.002 -6.494 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 20.494 -5.520 0.188 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 2.349 -10.395 -17.223 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 5.865 -0.650 0.830 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 -3.820 -14.053 1.845 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 16.758 -13.997 11.992 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 5.651 0.710 0.651 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 -18.837 -7.142 6.718 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 10.513 -1.747 -0.971 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 6.018 -0.926 4.991 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 20.079 48.251 -1.141 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 -12.509 7.262 17.676 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 1.740 0.992 -4.842 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 -6.585 9.278 -8.585 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 -2.484 -16.794 -5.645 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 10.355 -5.478 2.396 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 34.725 -11.364 -10.624 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 -0.686 13.906 -9.068 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 0.445 3.152 6.436 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 -8.013 -52.287 9.965 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 0.453 -11.898 4.453 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 3.539 -7.947 -5.667 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 -2.196 -1.743 4.440 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 23.280 -6.548 -3.801 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 -6.636 -2.238 1.189 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 5.658 -2.058 -2.190 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 -21.103 -6.934 -18.536 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 6.144 4.529 -3.206 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 5.592 15.995 10.631 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 5.772 -5.116 0.463 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 -3.109 1.854 -2.142 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 5.307 2.012 -0.862 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 -36.765 -0.858 -4.723 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 3.574 -0.250 0.136 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 3.082 -1.374 0.186 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 16.707 -4.615 8.697 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 -8.446 -1.567 2.266 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 -1.911 20.997 -16.086 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 -15.160 -4.961 17.715 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 9.178 -0.868 -0.706 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 -3.124 -13.386 -17.216 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 13.421 5.409 10.076 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 -1.078 -0.132 -4.156 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 9.757 4.005 -0.274 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 -0.032 0.354 -3.623 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 -0.830 8.004 5.347 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 4.513 -20.703 -8.962 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 -2.400 19.722 11.168 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 6.491 -0.589 -0.916 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 10.477 2.814 -13.804 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 6.273 6.417 -11.445 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 -2.042 2.166 1.287 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 12.454 -8.621 16.603 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 -2.290 10.185 5.569 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 5.310 5.198 1.220 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 -10.307 -26.744 -9.237 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 14.035 4.642 0.990 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 -9.645 -0.993 -7.054 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 -17.668 2.063 -5.696 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 13.362 -11.877 -13.799 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 1.548 4.045 1.061 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 -16.557 -23.487 -4.600 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 -24.866 -24.257 0.671 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 -6.227 -5.761 1.932 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 17.429 -0.795 -7.936 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 -5.918 -9.150 7.605 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 -3.926 -2.920 7.824 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 10.813 -4.905 -18.414 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 1.387 -3.020 2.851 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 1.437 1.501 -3.962 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 -22.231 -8.561 12.969 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 0.174 1.917 -0.429 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 -1.034 -0.015 0.354 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 -3.248 -2.842 -0.296 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 2.306 -2.316 1.324 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 3.119 0.275 8.355 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 0.610 10.946 -16.924 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 0.388 0.391 4.311 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 -4.509 0.215 0.066 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 3.781 -9.851 -0.989 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 0.517 1.141 9.542 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 -5.513 4.016 -5.465 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 -0.504 -3.790 0.684 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 -2.628 -0.601 -9.798 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 -0.544 -3.654 4.756 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 -6.970 17.473 4.930 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 3.449 -11.324 0.925 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 2.705 1.356 -4.642 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 -12.415 5.861 -40.880 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 -1.826 0.066 -6.314 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 4.064 -3.320 -1.193 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 1.003 7.947 -7.061 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 2.785 2.578 -5.615 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 3.180 -5.123 3.738 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 25.325 -13.900 1.405 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 22.742 -9.462 -2.195 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 -6.227 5.643 -0.669 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 -6.841 15.520 8.222 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 -1.799 -8.596 -3.644 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 -4.767 -1.120 -1.115 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 -4.241 -8.475 6.043 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 -0.992 2.191 -1.218 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 2.277 1.575 -0.415 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 -29.989 -7.805 -9.936 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 1.008 45.644 13.421 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 -8.184 -4.909 -2.190 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 -22.237 -3.332 11.663 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 -8.311 3.971 -8.891 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 0.604 5.148 -2.125 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 -9.341 0.091 7.440 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 -5.699 10.575 -4.504 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 -2.048 -9.016 -0.562 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 -13.604 -16.909 -6.812 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 -3.087 -11.901 13.647 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 0.810 4.460 -2.495 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 -19.580 10.694 -12.571 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 0.847 6.288 -6.058 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 2.451 5.574 3.115 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 -8.552 20.015 -0.798 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 -11.573 5.769 16.367 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 -0.260 2.498 -7.941 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 -12.740 1.381 -4.309 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 5.656 7.625 9.525 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 -1.660 3.051 -5.662 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 23.922 -19.192 24.327 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 15.495 6.022 -8.682 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 -3.999 -7.960 0.950 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 -6.477 3.491 14.229 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 29.327 8.647 -10.651 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 1.308 1.634 0.095 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 1.710 6.116 1.396 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 2.221 -7.561 -3.614 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 5.880 1.841 -2.820 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 -1.782 8.640 -20.389 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 7.652 12.858 -1.814 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 -2.133 -2.073 -0.327 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 -8.158 6.024 12.880 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 14.431 19.167 4.260 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 -0.821 2.520 -1.487 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 6.164 -2.588 -16.969 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 2.015 -4.137 15.222 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 -0.581 -8.248 -0.476 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 -5.119 -4.557 -0.384 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 -11.721 9.759 -5.427 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 -0.748 -4.094 3.681 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 4.566 -26.904 7.977 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 13.516 9.056 -2.125 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 2.721 -8.491 1.386 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 20.731 -14.696 -12.801 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 -14.427 -9.966 2.029 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 -2.930 5.755 -3.445 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 -0.484 11.229 9.513 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 -17.434 11.628 -7.161 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 -0.054 3.410 -4.963 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 5.897 8.779 -17.040 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 8.030 10.481 -34.967 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 -0.617 -1.970 1.964 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 -11.310 -2.003 3.073 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 -12.594 12.972 4.016 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 -2.413 -1.474 -10.937 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 -6.600 -3.975 9.904 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 2.209 -10.173 -0.627 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 -5.472 1.508 -11.392 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 -10.021 -1.885 -2.618 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 3.951 -7.570 -11.006 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 1.748 6.550 3.702 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 -4.167 11.080 -7.277 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 -9.901 0.070 25.336 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 1.069 -2.399 4.666 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 -6.955 4.457 0.145 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 -2.396 -17.064 19.214 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 6.408 -6.580 -4.141 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 2.991 -10.341 -6.928 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 -6.648 -2.217 -2.949 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 10.276 -7.178 -3.436 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 -6.889 -19.085 -13.461 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 11.793 -15.410 19.156 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 6.511 -0.442 -3.311 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 4.474 -8.355 -5.350 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 1.015 -17.462 -6.589 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 4.548 2.546 -8.235 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 -12.026 2.659 -16.215 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 -19.795 -3.597 6.982 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 1.412 -1.609 -2.990 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 5.618 -14.971 4.998 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 -7.006 -6.513 -14.477 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 4.871 -4.845 0.319 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 -9.196 2.578 1.708 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 0.103 -17.356 2.644 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 -2.220 0.940 -3.183 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 4.905 -38.616 -29.060 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 4.756 14.594 17.803 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 0.920 -7.757 0.678 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 -6.766 -3.088 -6.272 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 7.214 -8.872 2.651 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 0.621 -4.668 2.198 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 -3.989 6.200 1.650 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 -23.759 13.462 -2.922 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 4.703 1.801 6.498 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 -9.750 -2.407 -3.736 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 -0.211 0.106 5.220 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 1.685 1.751 5.296 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 -1.185 12.744 -9.549 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 -3.396 -15.254 10.306 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 6.445 2.400 1.515 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 -9.145 3.094 -6.395 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 -0.271 5.244 -2.800 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 -5.444 -0.226 -2.502 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 17.525 13.466 -4.557 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 -16.337 -6.403 -2.066 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 2.663 -3.860 3.072 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 -0.557 0.352 1.364 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 7.905 -20.731 -0.187 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 -0.402 -0.956 -0.457 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 0.952 6.371 4.043 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 12.514 5.367 19.079 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 -9.964 3.129 -3.258 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 -14.741 -3.823 -4.360 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 -6.750 12.048 -4.626 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 -0.606 -9.224 -6.676 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 -8.283 -0.776 -20.457 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 -10.237 -28.364 5.830 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 -10.514 1.463 -1.079 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 -12.809 -0.643 -6.029 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 -0.235 -7.298 -2.990 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 -0.548 -4.931 1.198 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 17.660 3.292 -15.030 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 1.036 -17.644 -8.306 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 -0.063 6.083 -4.982 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 9.402 -1.565 0.307 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 23.443 -10.188 -15.744 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 4.438 -2.925 -1.880 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 4.817 -11.119 -6.370 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 6.797 -7.725 -24.192 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 0.397 0.321 3.835 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 3.652 1.286 1.282 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 -0.102 -6.246 6.689 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 4.782 0.695 -2.041 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 -3.003 9.444 1.969 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 0.578 3.371 -1.619 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 2.174 0.421 -1.618 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 11.110 -6.982 -7.805 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 -1.566 3.877 -5.757 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 1.494 0.112 -0.534 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 -3.410 -7.233 8.873 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 14.453 2.451 1.446 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 -3.687 1.522 9.234 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 1.664 -3.339 7.140 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 -1.506 13.241 21.316 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 -9.823 1.412 4.216 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 -10.042 10.526 21.033 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 -11.535 0.183 4.260 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 -2.211 1.067 -2.631 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 4.374 -11.411 -0.085 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 5.069 13.289 -2.346 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 2.016 5.347 0.972 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 0.697 -4.489 48.619 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 8.745 22.178 -6.764 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 -7.472 4.957 -5.832 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 -6.255 6.680 -14.841 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 2.556 5.103 -11.660 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 -3.425 1.190 2.293 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 -8.498 -7.158 -8.538 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 -9.244 -10.798 -12.055 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 1.855 0.069 -1.114 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 -21.147 -2.416 -1.369 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 16.375 -5.907 -13.017 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 -1.989 -0.568 -5.773 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 -0.703 3.566 -5.047 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 -7.020 7.697 -26.380 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 4.553 0.389 -1.768 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 12.291 -8.257 9.343 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 9.751 16.581 -1.025 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 -0.113 2.804 -5.350 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 9.312 8.196 9.865 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 20.655 17.676 -15.693 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 2.122 2.565 0.140 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 -22.452 4.147 -1.206 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 2.193 -10.189 -29.456 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 -4.086 -0.678 3.751 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 -2.516 -10.334 1.933 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 -8.258 8.176 7.728 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 -5.609 -2.946 4.414 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 -9.235 -4.145 -8.136 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 5.715 2.482 7.794 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 3.839 -2.122 -0.499 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 -23.733 -2.174 7.120 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 -8.234 -26.133 6.618 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 -1.680 -3.308 -2.414 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 -11.176 -12.682 -12.176 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 -16.672 -15.145 -15.379 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 0.531 1.584 -5.707 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 5.909 0.041 -8.821 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 5.919 1.438 -5.338 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 0.060 4.570 0.750 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 -1.718 -9.638 0.730 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 -0.354 1.900 2.469 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 0.513 -0.537 -5.420 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 -18.832 -11.681 15.054 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 2.012 -5.664 -12.575 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 7.024 -6.319 3.839 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 21.995 -0.230 -17.270 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 19.428 -1.863 -14.766 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 -2.360 2.767 -1.996 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 -1.083 4.656 -6.571 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 -1.141 2.652 -4.637 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 1.374 -2.369 5.262 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 8.827 -6.557 10.904 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 13.030 -4.538 14.038 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 6.467 1.529 2.082 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 -15.375 15.180 -0.839 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 7.158 -17.596 -2.246 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 0.308 -1.186 5.560 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 -7.753 -5.688 -5.340 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 8.470 -1.238 8.210 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 -4.703 -0.138 -10.221 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 15.720 -9.243 11.901 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 -0.972 -0.167 -7.094 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 -0.659 -2.490 -2.862 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 7.771 11.457 1.248 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 -0.616 3.626 -10.683 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 -2.006 -1.290 1.589 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 44.350 23.942 -5.840 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 5.612 13.093 -7.809 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 -0.146 2.240 -1.519 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 -0.116 18.232 -0.029 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 2.687 0.058 -17.685 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 -0.939 5.582 -0.537 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 2.633 7.975 6.995 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 0.975 -0.274 11.585 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 2.977 -2.964 3.760 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 -2.204 4.320 -11.955 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 -10.146 1.352 15.195 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 -6.209 1.635 3.586 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 -28.445 -8.295 -2.528 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 -2.620 2.149 4.184 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 1.381 -2.675 -5.370 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 -12.332 -5.490 -7.568 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 3.342 7.931 -14.164 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 2.060 0.138 -6.945 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 2.456 -4.036 -3.691 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 -29.035 -12.430 -33.427 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 2.728 -2.433 -1.307 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 -0.573 9.704 -2.043 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 5.229 -9.073 2.290 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 -1.276 -3.471 2.083 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 -17.072 8.966 3.182 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 -17.725 7.665 6.540 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 3.047 3.789 1.137 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 4.763 -3.202 13.150 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 -1.421 -1.981 -9.036 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 1.741 -1.580 -4.133 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 -7.063 -7.582 -10.001 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 0.735 -2.968 -2.313 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 3.191 -0.254 5.728 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 7.755 0.849 7.068 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 1.683 -5.294 8.737 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 6.622 3.587 0.491 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 12.376 5.512 1.219 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 9.744 4.433 -2.114 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 -3.001 1.662 2.834 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 -0.355 5.856 6.650 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 1.143 0.578 1.574 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 -7.596 9.412 -3.026 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 -0.850 10.197 -8.693 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 -10.644 13.690 17.341 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 0.320 -1.977 -6.554 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 -13.834 14.647 -6.796 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 6.098 -0.030 -8.699 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 2.218 2.438 3.182 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 -3.326 0.744 0.962 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 2.989 -2.132 7.637 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 10.000 3.112 6.353 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 -12.196 5.555 10.426 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 29.119 -2.338 -3.430 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 -5.728 2.387 -1.008 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 -15.686 21.738 11.130 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 -13.946 -9.025 10.584 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 -2.672 -2.296 4.256 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 15.397 2.894 -0.917 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 -0.116 -4.148 3.677 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 0.571 -1.117 -1.442 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 -17.563 -13.124 7.147 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 -7.824 -10.695 6.594 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 -6.302 5.222 -0.351 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 1.068 0.907 -4.293 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 -16.646 6.909 -0.329 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 -4.942 2.985 -4.897 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 15.738 0.619 -9.641 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 -7.727 5.542 -11.262 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 -1.957 -9.493 -0.594 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 -2.888 -6.394 16.843 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 -1.068 -6.675 -5.239 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 -0.373 4.651 -0.665 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 7.874 8.164 -10.263 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 3.225 5.274 -3.619 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 -3.458 -2.488 2.607 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 1.606 -2.064 2.960 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 -9.337 -5.357 3.693 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 7.332 2.514 -0.527 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 6.059 19.478 2.667 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 -6.119 7.098 -7.332 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 -2.013 0.093 -7.944 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 19.022 19.849 -2.139 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 11.142 4.760 -16.117 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 -2.914 -2.740 4.443 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 25.524 15.606 -21.608 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 22.745 6.916 0.801 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 1.095 6.014 -2.338 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 -6.298 7.347 8.048 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 21.633 0.463 -17.262 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 -3.589 4.608 -5.114 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 12.648 6.971 21.762 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 17.188 -11.003 -28.352 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 1.592 -2.150 8.528 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 -16.769 -25.230 16.804 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 -18.953 5.335 -13.805 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 0.573 -2.828 6.896 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 -11.454 5.825 -4.692 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 0.975 8.041 7.225 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 1.486 0.556 0.376 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 -7.454 -11.296 -5.932 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 6.024 -5.648 15.532 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 1.785 -1.124 -2.154 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 -10.941 11.655 2.703 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 12.905 5.027 -2.855 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 7.582 -4.796 2.371 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 -4.149 -7.546 12.193 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 -7.833 2.926 -22.199 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 -4.173 -0.834 4.696 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 -1.748 -8.622 -8.477 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 -4.936 0.212 3.747 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 -2.430 1.921 3.001 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 3.382 -6.527 11.861 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 4.384 8.068 -1.119 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 -3.842 0.438 1.085 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 -13.273 -5.037 12.248 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 0.531 0.250 -2.109 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 -4.049 2.916 -7.337 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 0.790 2.443 -1.354 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 3.782 -0.984 -11.080 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 2.019 9.626 -1.829 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 10.760 5.313 -3.768 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 3.545 -5.070 -14.500 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 1.491 -4.106 2.609 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 15.649 5.703 10.096 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 -25.474 -16.950 2.876 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 -1.746 0.177 3.469 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 11.949 -7.986 -0.754 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 -0.092 4.138 0.333 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 1.029 2.558 -0.886 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 1.710 -8.481 10.679 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 -4.258 -1.606 -4.642 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 -5.755 7.775 -3.779 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 -5.049 13.590 -6.494 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 2.506 -7.410 3.744 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 2.559 1.234 2.773 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 5.517 -12.106 14.180 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 1.332 -12.165 5.809 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 1.542 -0.164 -1.443 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 4.457 -0.108 0.314 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 15.934 3.719 7.853 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 -0.922 -6.471 0.412 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 -3.887 -8.974 -8.789 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 5.652 7.088 5.216 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 2.771 -3.403 4.692 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 1.953 9.859 23.565 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 25.213 5.378 -2.725 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 2.923 -3.839 4.075 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 16.048 -2.613 -14.416 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 13.533 6.299 20.323 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 1.963 0.254 1.986 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 3.616 -11.663 -10.350 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 -8.012 -1.374 -25.737 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 -7.651 2.329 -3.635 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 -8.689 0.902 5.443 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 7.141 14.513 -32.074 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 -6.315 3.266 2.334 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 -16.056 -9.978 -3.251 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 3.401 4.766 9.455 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 3.514 0.431 -2.685 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 -1.058 19.747 -13.856 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 5.420 7.793 -25.400 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 -6.562 5.425 0.441 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 14.011 5.638 -3.003 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 8.443 5.433 -2.153 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 0.163 4.568 0.502 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 20.170 5.836 -5.738 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 -13.556 -5.649 1.308 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 4.769 4.896 -3.548 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 -10.413 -11.885 9.616 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 -14.118 10.543 -8.204 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 -5.925 -3.107 0.319 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 0.220 -10.719 6.857 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 10.725 -14.166 12.638 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 -11.777 -2.760 -5.394 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 -0.508 6.035 -3.366 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 -13.291 -8.070 10.333 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 3.037 -0.160 0.909 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 10.591 11.494 24.066 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 8.262 7.391 12.310 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 5.832 -4.502 2.922 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 -17.742 2.043 -5.788 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 16.227 -15.954 9.215 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 3.619 1.937 1.820 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 -21.858 11.364 6.612 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 4.148 3.462 -8.652 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 -4.117 5.970 -0.230 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 -10.166 -6.914 6.681 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 -4.720 -2.743 17.096 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 4.809 -2.407 6.673 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 9.878 6.882 8.175 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 -4.720 -0.147 5.087 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 0.331 -6.035 8.700 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 6.588 -17.312 3.184 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 1.621 -7.779 17.408 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 4.106 -1.383 -2.346 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 -6.623 -1.299 -3.358 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 6.795 0.439 4.028 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 -0.807 3.720 4.816 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 10.189 6.926 8.972 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 -10.298 14.775 -6.049 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 3.305 -0.922 3.804 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 -10.624 -21.225 4.016 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 -27.596 -3.779 -24.543 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 -2.517 0.277 -4.202 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 -9.009 -2.399 8.059 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 9.973 -14.726 -8.483 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 3.660 3.546 0.146 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 -0.792 5.904 -6.291 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 -8.296 3.475 -12.695 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 0.512 -2.070 -1.877 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 -12.236 4.451 10.406 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 5.199 -4.412 -5.834 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 -2.680 0.429 2.389 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 -7.894 4.435 12.572 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 5.035 -19.594 -14.089 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 -1.831 6.224 -0.913 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 -1.480 6.627 0.884 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 -3.770 3.029 -0.547 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 1.698 4.046 0.155 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 18.220 -11.532 3.461 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 16.098 16.847 -10.853 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 -3.069 9.470 -0.649 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 4.049 31.221 -0.236 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 -4.541 -0.665 -0.709 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 -3.914 1.901 -2.952 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 -11.024 -21.108 -13.368 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 -8.988 -9.456 -9.504 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 -4.443 -3.079 -0.471 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 -11.451 -4.643 -0.955 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 -20.538 5.124 16.637 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 6.641 -6.504 3.307 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 -4.200 -13.930 -8.330 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 27.131 -0.985 -3.044 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 -0.826 2.259 -0.439 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 -0.657 -1.142 -0.243 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 11.280 -1.724 4.680 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 -4.115 -1.354 -7.590 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 16.027 -44.876 -12.565 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 -11.066 10.283 -6.620 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 -0.623 -5.099 -1.272 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 0.636 28.900 -7.222 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 -11.639 1.779 -5.335 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 0.108 -0.767 -2.935 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 -0.788 -14.261 3.028 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 5.474 8.042 -9.237 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 1.230 -5.905 -0.195 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 10.601 -11.022 2.082 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 2.884 -2.610 -3.052 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 -2.436 0.058 0.406 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 -1.502 14.915 4.305 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 6.026 -12.623 -9.116 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 -1.701 -6.716 0.752 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 -12.154 -5.935 -23.384 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 -15.351 8.385 24.839 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 0.916 2.042 -6.993 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 -6.220 6.558 18.574 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 -2.128 -0.425 -10.253 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 1.806 -1.582 2.518 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 -10.853 13.427 -22.667 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 27.146 -0.854 -6.117 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 0.852 -4.444 -4.343 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 4.733 -7.273 -1.548 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 -12.093 -7.676 -4.275 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 -3.575 1.035 8.410 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 0.065 15.451 -8.448 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 9.547 5.675 -0.670 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 -3.152 1.700 6.227 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 -13.706 5.089 2.669 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 -3.040 3.319 17.957 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 -0.288 -1.709 -3.988 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 6.361 -11.571 8.639 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 -4.596 14.343 -11.629 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 -4.606 -3.382 -0.736 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 4.824 11.057 -8.382 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 6.083 -9.711 -3.437 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 -4.513 2.351 4.432 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 -13.696 -7.912 -17.956 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 11.316 4.576 -11.743 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 0.618 5.921 -8.895 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 11.410 -3.565 -0.849 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 1.029 11.715 -9.391 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 2.287 -2.977 -10.024 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 4.854 -11.891 27.929 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 -14.374 4.433 -6.746 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 -1.663 4.580 -0.726 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 9.487 3.007 10.909 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 -13.944 1.260 -5.888 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 7.928 1.463 6.666 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 19.084 -6.073 3.288 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 23.812 -19.390 8.178 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 -0.489 2.314 1.964 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 -3.871 -12.441 -22.042 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 12.278 -17.611 2.775 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 -2.156 1.999 -5.606 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 -3.894 7.358 -3.497 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 -0.604 -6.068 -8.148 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 1.572 -1.261 -6.835 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 -1.245 -29.682 -8.250 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 9.542 0.870 -13.451 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 4.315 -0.005 -0.230 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 2.578 5.788 0.341 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 29.961 -22.834 -8.486 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 1.776 -6.765 3.823 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 -5.050 -10.151 4.757 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 4.709 -8.362 9.492 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 -6.157 3.569 1.643 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 -17.475 -7.708 7.034 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 0.836 16.631 -20.586 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 -0.635 4.685 3.636 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 29.535 7.659 13.268 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 -6.028 3.202 -20.859 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 -3.011 -2.030 8.471 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 -0.791 -1.811 -4.795 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 -1.785 -6.491 -12.135 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 6.013 -0.232 2.777 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 -9.433 22.983 -3.388 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 4.899 -0.477 7.634 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 -1.042 3.758 4.624 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 7.804 8.049 -1.791 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 -6.386 -0.158 -0.740 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 14.498 -2.118 1.026 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 -8.766 -6.041 -0.048 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 16.923 -0.241 7.385 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 3.992 -3.330 -3.130 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 -8.025 -11.685 -26.213 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 25.294 7.763 10.946 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 3.558 1.534 -4.275 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 -8.238 -6.064 26.032 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 -1.204 2.430 -1.797 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 0.824 4.196 2.153 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 -13.086 1.329 -4.759 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 6.413 -8.629 13.243 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 0.110 3.756 6.452 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 -8.172 12.406 5.399 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 -0.277 -11.262 -14.045 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 0.622 -3.790 3.000 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 8.479 9.931 4.666 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 -4.007 4.523 6.889 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 -9.202 -0.388 0.933 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 -11.190 -9.822 4.977 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 -15.900 -8.857 -0.300 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 -0.232 5.619 -0.417 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 3.294 5.544 7.539 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 -0.080 -9.956 -8.783 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 0.734 -0.431 4.701 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 -11.163 -7.352 -1.492 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 7.414 7.867 24.527 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 1.590 3.335 -5.760 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 -6.725 -21.896 22.679 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 -16.223 8.153 22.729 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 -2.689 2.060 3.648 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 -0.806 4.233 1.236 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 13.922 -10.757 -6.233 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 -0.404 -0.097 -5.911 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 -27.556 -24.100 -19.651 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 -15.341 7.207 27.669 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 -2.244 2.604 7.613 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 16.279 -9.961 10.593 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 14.071 -11.638 -22.234 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 1.639 0.547 -2.430 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 1.803 -8.377 3.395 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 25.811 -12.792 -12.620 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 0.385 2.348 -5.265 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 0.784 -0.715 -6.021 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 -0.567 7.507 -11.622 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 -3.354 -2.049 2.041 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 -5.142 -24.459 -9.220 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 -7.359 4.254 5.919 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 -0.922 -0.676 -5.893 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 13.983 -16.554 8.228 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 2.598 -10.773 -7.420 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 -5.170 6.442 6.323 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 11.077 -0.482 0.149 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 -1.011 -0.206 23.613 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 -0.483 -7.108 -0.913 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 -1.636 8.391 4.658 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 8.546 -23.156 1.388 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 -2.882 -3.570 -3.071 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 -12.833 7.341 -6.073 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 -1.780 -27.382 10.389 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 -0.118 -1.160 -1.307 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 6.158 3.174 -7.297 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 -15.880 -9.761 -21.503 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 -3.803 -3.168 -3.299 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 -0.070 -0.539 -14.276 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 -3.514 -0.388 -0.812 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 1.113 -1.154 -4.241 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 -14.446 -11.484 11.990 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 -1.774 -2.419 4.576 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 -1.579 -7.103 -2.022 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 -9.314 5.770 -6.404 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 1.161 -36.558 1.574 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 -7.384 2.181 -0.333 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 15.304 19.259 -27.750 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 0.126 2.847 -1.826 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 3.656 -2.555 2.629 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 -0.434 -37.571 -0.847 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 -27.925 8.503 5.649 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 4.031 -5.551 -1.073 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 19.350 -5.714 -12.553 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 -1.383 3.073 -17.924 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 6.531 3.685 4.417 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 -9.288 -3.364 7.861 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 -0.225 11.469 -8.882 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 1.711 -13.394 -3.443 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 1.375 -15.722 0.758 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 -8.104 -13.985 -13.035 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 -4.638 -0.306 0.444 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 -6.301 -5.540 -19.360 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 -10.097 7.439 5.830 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 7.074 1.563 0.024 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 7.099 -19.004 0.168 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 11.607 -3.299 4.755 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 3.312 5.834 -5.559 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 -11.290 19.339 9.749 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 8.183 2.846 -9.784 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 -5.656 2.125 0.038 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 -11.472 -13.798 -14.613 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 25.491 15.465 -21.404 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 -10.709 0.163 0.370 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 -18.877 10.234 12.401 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 1.563 -13.059 -15.914 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 4.909 -0.683 -0.487 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 16.275 1.498 -17.932 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 2.629 -4.174 -0.902 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 7.144 6.469 -5.470 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 -6.690 8.085 9.273 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 -1.006 10.698 -9.097 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 -6.161 2.133 0.073 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 -10.731 14.735 0.388 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 -11.942 -3.869 9.391 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 -5.219 -4.095 -0.889 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 -22.845 20.085 19.282 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 -12.613 -1.629 1.481 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 -4.149 6.614 -3.440 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 -0.755 22.904 -1.826 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 -6.831 5.084 12.697 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 2.042 -2.212 -3.753 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 -32.698 8.433 21.949 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 4.966 6.431 -1.031 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 7.030 0.360 2.660 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 23.762 -0.961 4.457 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 6.622 -25.719 -3.701 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 1.442 -2.270 -2.432 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 1.752 -5.874 -1.055 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 3.538 0.363 -0.368 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 2.432 -2.013 -3.758 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 -2.496 0.318 9.848 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 12.051 0.203 -3.971 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 1.329 2.448 -4.235 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 8.516 0.936 -1.348 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 1.481 -4.359 5.409 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 -1.736 5.710 -1.306 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 15.294 -5.720 12.172 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 -11.136 -11.539 -14.887 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 2.544 -5.502 -2.874 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 5.947 -18.682 0.378 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 -11.096 2.740 -0.306 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 -2.140 5.103 -0.671 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 -12.010 10.292 6.452 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 -12.158 7.467 -21.897 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 -1.865 4.504 0.623 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 8.911 -7.468 11.228 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 -9.662 21.852 -9.815 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 -0.357 0.700 2.905 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 -8.978 -2.476 18.720 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 5.265 2.718 -7.011 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 0.405 -3.572 0.231 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 10.846 0.511 11.782 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 -12.532 -11.687 7.467 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 5.441 5.838 3.793 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 2.599 7.176 5.189 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 -8.753 -9.862 -4.329 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 6.151 -4.326 -0.976 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 -4.477 -5.460 7.167 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 6.294 -6.279 -1.063 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 1.047 -1.584 -2.304 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 15.233 -2.407 -13.574 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 11.934 8.361 6.824 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 -1.579 5.798 3.786 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 -9.575 25.841 0.231 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 -17.086 2.755 -4.208 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 -4.115 1.507 -3.574 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 -8.187 -4.830 -3.726 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 3.855 -1.133 -4.763 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 -1.200 3.850 -2.128 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 -18.134 5.863 38.194 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 -4.235 7.705 6.520 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 -1.440 4.376 -1.815 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 6.193 3.660 1.569 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 -17.492 14.997 -5.613 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 -4.017 -1.517 -3.082 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 4.333 -9.658 -1.854 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 -23.713 12.426 -2.609 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 4.926 11.345 -3.728 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 3.295 7.683 -5.189 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 -3.142 7.849 -3.539 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 1.401 3.199 -0.036 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 1.366 13.685 3.087 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 2.451 -4.131 -1.472 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 1.261 -4.591 2.328 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 -3.544 16.588 -5.425 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 -18.894 -13.900 13.282 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 -0.893 6.952 6.177 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 -0.175 13.413 1.227 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 -1.984 14.714 4.517 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 -4.514 -3.115 -1.374 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 -3.049 -1.394 6.825 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 3.904 2.000 -7.744 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 4.919 0.212 -5.462 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 0.806 11.798 22.216 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 -28.836 0.426 -1.131 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 5.606 -4.055 1.263 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 -0.622 -18.959 -3.062 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 14.962 1.368 -11.677 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 4.679 2.048 -1.028 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 2.186 -0.724 -1.269 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 -9.569 -10.138 1.267 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 -6.717 -1.710 0.959 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 -4.221 5.953 -14.043 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 -3.592 -5.559 3.666 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 -5.239 -0.512 -2.016 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 -7.274 -1.036 -5.661 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 -1.619 3.333 1.504 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 -5.354 1.035 6.867 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 0.566 12.686 6.223 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 -9.983 -5.341 4.225 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 -5.381 -2.986 -5.572 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 -18.147 28.336 29.396 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 4.367 -7.222 -6.255 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 -5.212 4.168 -3.225 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 2.109 -3.619 -8.048 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 -39.788 -20.952 5.801 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 6.097 -0.197 2.323 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 10.310 6.766 5.349 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 23.941 19.461 13.406 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 4.810 -0.999 -1.098 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 -17.788 -26.494 -1.815 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 -28.979 -46.001 2.280 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 -4.140 9.310 -4.078 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 15.114 -16.706 -3.067 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 -9.640 15.769 -2.866 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 -0.970 -4.806 -7.555 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 5.684 2.730 -14.618 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 -7.975 4.109 -1.275 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 -1.220 -4.767 5.588 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 18.457 20.140 7.298 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 3.992 4.661 3.313 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 7.322 1.319 -5.840 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 8.000 5.396 -2.203 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 2.677 -21.753 -16.915 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 -2.473 -6.144 0.801 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 -8.610 -18.073 -8.850 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 -21.027 -14.868 -11.726 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 -7.034 -4.044 6.645 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 15.008 -17.567 -1.960 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 4.277 -20.200 -0.797 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 -3.251 3.680 -0.100 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 12.335 13.934 3.545 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 -1.577 -9.377 -14.056 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 -0.374 1.712 -4.516 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 -7.760 2.764 -11.789 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 -5.248 2.590 -10.008 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 3.197 -0.431 2.874 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 13.087 18.197 -10.267 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 6.217 23.404 -2.483 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 1.570 7.694 7.968 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 11.759 -13.304 -10.441 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 1.751 -1.870 -3.202 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 -2.570 -6.353 -0.511 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 3.288 -13.497 -21.128 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 4.540 20.857 -5.223 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 0.755 0.515 1.211 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 -5.363 1.889 -0.067 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 -3.014 -5.074 -1.237 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 1.389 6.056 1.873 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 19.957 12.357 -4.469 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 -9.574 3.458 -13.597 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 -0.775 -1.178 -2.402 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 -17.548 14.494 -0.837 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 -9.473 -21.335 -7.318 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 0.461 -1.770 -3.786 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 -3.829 18.681 6.931 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 -8.104 0.820 -25.803 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 -5.179 -0.225 1.155 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 9.490 -9.625 -0.586 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 -18.382 -12.300 25.628 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 -4.582 -3.119 -0.691 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 -5.023 -7.213 -6.545 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 -17.473 -2.361 -6.098 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 0.022 1.554 -1.000 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 6.072 -10.858 -3.343 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 5.251 9.884 6.762 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 -0.061 0.454 1.501 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 -25.587 10.637 0.454 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 -14.090 4.901 1.011 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 0.144 -0.770 4.210 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 0.385 1.973 5.378 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 2.016 -2.092 3.748 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 -3.272 3.502 -1.619 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 -8.627 -8.642 -4.234 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 11.894 -5.759 -0.917 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 3.716 -3.510 -0.711 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 -2.930 5.508 -9.460 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 -3.687 -18.483 30.405 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 4.949 -3.322 4.453 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 5.537 0.378 1.457 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 6.637 1.281 2.448 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 1.070 4.652 -8.330 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 1.094 -3.793 -1.406 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 -4.508 -3.976 -1.273 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 -6.380 0.809 2.081 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 -13.687 -8.406 8.666 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 -1.244 8.231 -4.161 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 3.602 -2.181 2.570 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 9.272 -6.772 4.937 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 -1.935 -4.198 -2.219 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 -3.454 -5.056 -13.410 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 6.774 -16.096 -11.189 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 -7.468 16.728 1.147 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 6.692 0.452 2.903 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 10.158 4.826 -7.861 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 30.347 25.649 -22.737 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 1.811 -3.097 3.001 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 2.237 19.095 23.362 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 15.607 2.080 -1.144 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 -3.204 -2.915 0.443 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 -3.818 10.809 -11.064 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 -3.769 4.099 9.003 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 -3.158 0.755 -0.761 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 10.770 22.611 -6.446 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 8.631 -7.812 2.561 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 4.803 5.452 -4.570 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 0.078 9.890 -5.438 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 -7.476 13.030 -10.830 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 -6.386 1.038 5.767 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 -13.146 12.741 1.617 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 22.669 -5.655 0.714 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 3.155 -1.194 4.944 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 1.484 -8.882 4.809 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 -13.377 -5.538 1.361 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 -0.687 -7.321 -6.095 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 -0.702 -21.081 -27.991 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 -3.340 12.315 4.380 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 5.984 -2.162 0.342 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 5.180 -5.204 0.110 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 1.569 1.409 0.870 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 4.701 -2.850 -1.174 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 8.752 -8.726 23.623 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 -12.861 13.223 17.793 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 8.441 -8.699 2.675 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 -1.550 -2.543 -5.905 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 4.041 -9.165 13.316 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 -5.322 -2.028 -0.055 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 -7.561 3.773 -6.907 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 -0.306 -9.492 -18.944 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 -5.660 -0.599 6.253 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 -2.559 0.486 12.520 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 -3.676 -15.180 2.512 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 -3.965 7.072 0.392 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 -11.725 -2.567 -6.451 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 0.391 13.379 -13.755 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 1.252 -1.822 3.388 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 12.185 11.375 3.218 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 -0.508 1.049 8.467 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 -6.344 -2.227 4.629 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 -26.071 -8.407 3.829 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 -14.903 -3.437 -0.049 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 0.759 -0.348 5.567 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 -0.048 -3.029 12.768 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 17.875 -5.587 20.958 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 0.449 1.642 2.358 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 14.884 -1.939 8.209 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 27.647 -12.180 3.224 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 -2.215 -0.054 5.016 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 -11.705 0.280 1.970 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 -3.100 12.172 -27.068 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 -3.633 -2.274 0.954 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 0.984 0.191 5.100 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 -9.007 0.331 3.144 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 -9.262 -3.649 1.069 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 -2.256 -13.945 10.816 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 -10.057 -9.531 6.048 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 -0.278 -4.831 -0.871 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 -7.611 -3.789 -12.803 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 -8.795 4.365 9.499 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 1.593 -7.731 1.680 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 4.116 -18.312 3.266 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 -5.536 1.737 -4.539 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 -1.891 4.339 -2.920 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 -21.004 8.849 6.489 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 -8.110 5.540 -6.727 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 -1.848 1.987 1.814 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 9.266 -4.848 14.334 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 -14.112 -11.704 -1.225 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 2.104 1.776 0.645 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 0.089 23.434 9.670 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 -4.211 -0.142 3.589 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 -4.228 8.223 -1.617 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 7.813 8.908 -1.864 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 -11.876 -8.092 -8.285 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 -2.601 -6.566 1.449 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 -10.558 5.748 -1.809 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 2.395 19.072 10.457 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 -0.015 -2.321 1.211 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 1.756 17.374 7.685 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 7.339 -4.278 -4.493 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 2.802 7.128 -0.400 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 5.597 -0.256 -10.400 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 2.380 2.244 -8.380 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 1.538 4.414 -6.059 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 -11.235 8.146 -2.312 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 10.294 7.372 -0.087 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 -2.557 8.768 1.829 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 1.299 5.379 -8.008 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 1.569 1.718 8.404 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 0.792 6.890 -4.659 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 -3.469 5.277 -6.768 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 15.326 -3.014 5.721 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 -1.452 -5.847 -2.523 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 26.587 -15.791 17.993 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 16.175 -12.203 8.783 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 2.340 -5.195 -9.145 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 -22.393 -28.544 -10.178 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 22.739 13.795 -10.489 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 -3.859 -9.143 -1.454 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 0.311 -32.952 7.315 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 1.787 -4.618 20.167 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 0.668 -1.151 4.154 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 -8.800 21.590 -29.758 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 3.762 -7.598 10.228 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 -0.463 -3.925 5.320 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 -1.125 8.180 10.580 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 -38.138 -17.565 -7.998 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 3.318 -0.608 -3.636 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 -11.208 -9.991 -10.631 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 -4.717 -6.737 3.636 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 0.229 0.205 -3.269 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 6.632 -12.848 28.551 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 -5.331 4.150 3.907 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 6.919 -1.727 -6.024 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 23.967 -11.646 -0.005 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 7.069 5.798 5.666 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 -2.071 4.915 -4.015 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 4.725 1.023 -17.868 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 -16.621 4.277 -8.878 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 2.536 1.167 -3.193 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 -22.569 9.928 34.526 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 10.327 1.234 -6.956 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 -2.374 -4.666 1.741 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 -5.945 -1.315 1.746 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 -3.781 -6.656 3.437 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 4.291 -0.503 -3.400 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 2.938 1.656 1.098 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 5.180 0.627 -6.222 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 2.556 7.097 -4.655 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 -3.957 -4.568 -3.893 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 5.635 38.046 8.609 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 4.882 -0.427 -5.261 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 15.205 -6.458 4.988 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 8.573 -6.461 -15.057 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 4.115 3.170 -4.939 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 -2.715 13.165 -12.550 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 8.112 -1.471 15.992 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 2.874 -0.694 3.762 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 37.374 -6.484 -23.609 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 -27.437 -28.604 1.089 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 3.484 -0.364 -9.412 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 7.837 4.356 -26.410 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 -6.567 -4.706 -20.117 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 -1.821 -1.441 -4.828 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 12.526 -10.191 -14.888 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 -10.725 -6.337 -11.967 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 -3.648 -0.124 1.274 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 -9.117 1.053 -1.645 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 -1.367 -15.488 16.008 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 -6.429 0.372 -3.591 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 -7.561 1.756 -3.755 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 4.615 -20.767 -0.322 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 2.738 1.510 -2.707 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 2.817 -0.069 2.662 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 0.707 10.569 -0.710 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 1.824 4.835 2.336 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 -0.311 19.870 -4.901 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 -4.255 -7.276 0.454 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 3.358 0.272 0.272 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 11.134 -9.365 -20.164 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 -9.879 25.470 -7.326 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 -1.437 -4.908 -3.770 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 -12.691 -14.447 1.654 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 -8.578 -12.485 -0.763 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 2.271 -0.156 -0.472 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 5.022 -5.841 16.419 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 2.551 -4.239 -5.985 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 -4.357 4.965 -0.334 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 -14.384 -10.671 12.330 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 2.628 -26.886 3.552 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 -2.167 -0.005 -4.280 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 5.765 3.820 -13.738 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 -15.184 -4.894 -1.250 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 -5.292 0.417 0.830 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 6.986 -6.952 13.113 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 3.638 1.652 -13.511 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 0.539 0.346 6.536 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 23.618 1.904 -14.741 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 9.333 -0.390 -16.321 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 -1.583 6.749 -0.344 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 -1.514 5.365 -2.990 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 1.535 15.502 30.699 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 -2.861 7.712 2.174 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 -9.557 -2.335 9.971 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 3.277 16.140 11.561 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 -8.217 -5.824 -2.878 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 4.802 5.176 22.185 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 5.229 0.839 -6.200 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 9.070 4.363 0.851 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 11.150 34.214 13.592 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 9.032 -7.311 12.181 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 -1.950 -1.487 2.702 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 -8.207 -0.537 3.433 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 1.722 0.295 9.749 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 -6.688 -3.293 -0.788 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 -39.223 -9.427 -5.819 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 26.491 15.548 -11.577 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 3.030 5.825 -1.228 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 6.355 -19.057 -0.840 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 5.492 -27.328 -2.338 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 -2.735 5.459 -1.213 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 12.352 -0.525 -13.021 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 4.148 10.308 14.865 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 -4.284 -8.598 -7.131 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 -9.241 -6.504 14.649 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 -11.862 11.827 -12.117 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 -3.044 1.387 10.493 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 24.540 27.321 -27.341 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 -3.317 8.038 -2.141 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 -9.172 1.681 0.526 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 -12.132 2.840 0.143 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 -5.140 -8.409 -8.086 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 2.632 -8.398 -3.137 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 12.424 28.615 14.059 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 -29.516 -10.871 -14.134 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 -0.184 -1.106 2.353 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 -12.719 15.662 -20.480 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 -23.102 15.315 -6.231 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 2.738 -4.232 -3.003 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 -1.463 -7.680 9.282 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 3.661 -14.342 -1.039 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 -0.205 -1.770 -3.699 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 9.966 18.494 -18.651 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 -2.933 -24.094 -14.104 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 -5.060 -7.081 1.304 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 -3.117 -2.010 14.348 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 -11.747 -4.030 -2.151 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 -0.037 5.964 -6.709 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 26.180 13.789 -33.979 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 -2.397 -8.223 5.567 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 3.432 -2.754 -5.630 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 -10.233 3.542 -0.246 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 29.729 -16.732 -25.858 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 -1.604 1.564 11.593 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 -17.624 -10.678 12.779 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 -13.794 -3.505 19.483 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 3.930 -8.429 0.437 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 -5.099 19.010 1.660 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 -0.872 -0.389 0.239 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 4.576 -4.883 4.380 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 -13.253 -7.469 9.805 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 -12.696 -9.172 2.045 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 -2.641 -0.195 1.365 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 -18.907 -6.646 2.801 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 -4.599 -8.930 -10.061 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 0.673 2.019 -4.977 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 6.503 22.912 -17.720 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 -6.198 7.313 -0.690 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 2.067 -7.193 -1.573 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 0.165 -1.610 -2.262 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 11.831 -1.712 5.556 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 7.939 -1.301 -0.721 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 -1.118 0.840 5.891 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 24.102 -6.458 -3.503 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 0.186 5.277 0.705 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 -5.761 10.517 6.636 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 -2.588 13.597 -13.120 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 -1.607 -4.255 -1.525 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 -2.781 -8.460 -8.533 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 3.406 -5.341 10.393 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 -4.639 3.253 5.649 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 5.330 16.611 -22.140 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 17.215 31.699 27.185 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 -0.404 2.031 2.915 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 -18.975 3.485 25.428 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 9.094 9.863 29.150 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 8.477 -2.067 -6.237 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 9.339 -2.497 -5.557 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 9.383 -2.593 -5.486 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 7.513 4.633 -2.906 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 21.919 14.497 4.123 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 -11.297 -4.960 11.379 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 -0.205 12.746 5.416 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 0.369 -22.538 -8.512 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 25.747 -20.840 -5.200 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 -1.066 2.165 4.912 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 0.773 -9.126 14.669 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 -5.827 1.046 12.955 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 3.787 4.768 -6.857 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 22.939 19.319 -4.319 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 13.619 10.405 -15.976 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 -4.305 1.880 1.249 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 3.287 -1.811 -8.756 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 -8.232 17.274 -11.591 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 0.816 8.323 -0.596 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 -7.206 12.599 -5.949 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 -0.938 20.107 14.632 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 -0.099 4.103 0.682 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 8.461 2.330 2.012 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 -6.778 3.262 1.458 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 5.028 -0.788 -1.945 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 5.153 -1.931 -1.927 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 -0.717 5.999 -8.965 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 -1.386 -1.945 2.202 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 -25.374 21.483 18.452 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 -4.090 -8.641 -4.138 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 -0.376 -1.437 1.173 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 5.931 1.985 23.928 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 -2.165 -2.240 -11.680 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 -1.944 5.953 2.865 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 -9.253 19.314 3.725 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 2.732 -33.022 16.954 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 1.715 -1.838 2.381 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 -14.773 21.324 3.952 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 17.270 -15.728 -9.320 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 -1.610 -6.309 7.146 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 16.608 30.375 -9.139 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 9.621 11.949 4.727 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 -1.408 1.871 -3.617 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 -7.661 -11.134 20.949 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 12.178 13.570 -2.518 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 1.963 -2.560 -1.741 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 34.026 1.323 -6.080 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 15.207 12.013 -21.224 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 -3.694 4.186 -5.170 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 -17.427 -3.246 -6.245 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 3.531 12.693 -24.798 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 2.058 -3.465 1.567 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 17.110 -15.708 -8.244 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 -17.406 -8.187 -6.833 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 3.395 -0.795 -5.418 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 -12.848 -10.072 -15.230 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 19.180 -0.073 11.412 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 -0.184 2.778 1.156 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 4.402 -28.176 31.793 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 -19.912 7.541 4.462 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 -8.535 -5.725 3.121 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 -9.866 -11.045 6.279 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 -6.546 -5.309 -2.308 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 1.144 3.320 0.705 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 -18.435 -5.624 -0.282 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 -3.070 3.612 2.099 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 0.447 3.172 2.828 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 -0.125 -2.796 10.047 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 3.868 -1.147 7.104 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 3.230 7.166 -2.550 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 13.494 -8.403 5.078 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 18.724 -17.681 -7.982 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 3.198 7.833 4.016 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 -20.803 2.562 -10.641 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 -10.141 -3.138 12.354 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 3.667 1.017 -7.044 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 7.896 23.088 -14.409 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 4.346 -2.061 -5.185 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 -5.147 -3.737 -0.355 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 -16.335 -16.913 13.445 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 2.461 15.521 -14.308 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 -0.158 1.721 -0.427 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 -5.046 -23.014 6.045 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 5.499 -1.580 -6.493 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 2.083 4.794 -3.189 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 -6.148 -6.319 -0.625 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 -6.857 -20.690 10.181 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 3.242 6.281 -2.594 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 3.598 -22.139 25.161 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 -20.445 -18.257 15.396 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 -8.548 -4.290 3.949 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 -14.560 20.175 20.878 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 -10.381 3.913 -13.213 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 4.984 -2.283 1.105 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 -12.955 -10.882 3.569 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 -19.366 -10.162 8.016 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 3.410 4.256 -1.728 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 9.192 1.979 -11.046 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 10.793 -3.822 6.894 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 0.959 -2.526 -1.886 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 5.982 -9.006 15.778 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 14.575 7.450 -4.192 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 -2.190 -0.705 -3.666 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 1.679 -6.405 -8.063 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 -6.646 6.740 -0.553 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 -1.046 0.370 -4.003 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 -13.110 -3.380 -0.343 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 2.715 -5.890 15.438 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 1.172 6.530 -4.680 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 -1.926 5.971 -5.410 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 1.412 9.387 -7.218 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 2.747 1.011 -0.037 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 19.144 -0.184 4.781 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 -15.633 6.093 -4.801 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 2.109 -5.668 -3.463 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 14.655 -7.204 -14.394 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 -7.104 -8.434 -7.880 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 -2.546 1.510 3.028 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 24.658 -6.225 -11.223 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 18.569 19.800 -8.808 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 -2.395 -4.243 -3.480 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 -7.567 13.795 -6.872 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 1.910 -32.687 1.359 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 -4.787 -0.951 -4.522 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 -6.405 -3.451 1.147 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 0.020 13.699 3.480 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 6.840 4.222 5.421 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 1.547 -5.808 9.463 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 -11.354 4.253 10.702 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 -1.697 -5.331 1.633 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 22.237 8.811 -2.593 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 -25.340 -2.101 8.801 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 2.928 7.466 0.739 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 -27.421 -1.840 20.080 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 3.754 6.159 2.564 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 -0.025 -0.052 1.130 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 45.914 -1.358 9.574 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 5.619 1.187 6.688 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 -2.012 -0.101 4.529 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 6.486 17.566 -18.159 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 1.266 14.548 23.017 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 -0.544 2.642 -1.829 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 3.675 10.229 4.171 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 -1.675 2.272 -5.534 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 -7.575 4.901 2.625 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 -26.518 34.625 3.495 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 -20.424 8.768 -0.524 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 -1.799 1.941 -4.437 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 11.435 12.389 1.853 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 -12.998 6.482 1.503 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 3.306 2.628 4.351 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 -1.315 13.806 -5.008 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 5.986 -4.520 10.199 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 -0.179 -3.608 2.684 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 -10.460 13.856 -8.327 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 13.307 5.504 22.204 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 1.593 0.764 -5.862 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 5.660 -3.610 4.142 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 6.687 -3.387 -8.102 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 3.591 4.515 -0.226 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 2.352 10.507 -28.016 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 2.706 0.147 16.803 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 -0.087 -3.877 3.326 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 15.093 -1.850 12.325 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 10.903 2.645 13.622 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 -1.181 1.351 1.274 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 0.658 4.558 -2.053 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 8.964 7.505 16.130 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 -0.234 0.615 1.335 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 3.501 -15.560 22.476 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 -9.488 16.370 -22.147 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 -4.315 6.016 1.360 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 -2.996 14.183 7.731 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 6.421 7.351 -4.881 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 6.951 -4.195 0.863 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 -13.075 -3.228 -16.813 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 -14.520 8.353 23.773 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 9.979 -2.044 -0.122 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 14.457 7.534 18.948 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 38.273 11.219 13.356 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 0.924 -1.315 -5.007 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 -27.579 -22.714 -0.976 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 6.721 -21.979 -9.994 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 1.993 5.541 5.752 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 9.139 11.499 28.500 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 10.828 8.043 -10.425 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 0.499 -3.301 -3.041 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 2.962 -17.992 -2.840 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 0.388 4.697 1.082 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 9.264 -4.744 -3.847 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 -0.467 -12.680 -13.088 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 1.852 -1.706 -12.301 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 -2.061 1.749 1.053 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 -17.356 8.366 -20.274 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 -18.588 -13.887 14.135 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 -1.793 1.982 3.588 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 -0.440 -5.905 1.408 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 6.313 30.151 2.075 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 -5.964 6.049 0.994 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 -10.992 10.157 7.978 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 -2.243 -1.519 -4.611 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 0.001 -0.657 4.378 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 24.792 2.013 0.444 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 1.284 14.545 -5.423 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 -5.257 -4.347 1.095 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 4.241 -4.876 3.258 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 3.086 -14.766 -10.331 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 3.480 -1.100 -2.788 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 11.858 4.203 3.528 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 4.738 9.014 -2.986 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 -1.047 -1.810 2.052 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 13.466 -6.453 -16.176 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 -8.398 -2.122 7.075 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 4.738 2.156 -2.658 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 -4.366 7.203 -13.778 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 7.803 22.328 6.378 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 0.277 -1.818 1.950 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 13.161 -1.841 -5.254 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 -9.853 12.099 4.841 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 -2.979 4.407 -2.734 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 -3.572 3.012 11.153 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 -2.746 -9.051 -7.990 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 1.781 1.576 -0.644 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 -11.325 30.744 3.942 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 7.622 9.631 -21.417 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 4.276 -4.837 -1.459 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 3.247 10.110 1.267 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 8.514 -23.173 -1.882 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 -2.652 1.438 -0.455 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 28.879 -0.194 23.763 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 -17.858 -8.721 -4.784 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 -1.740 0.630 0.529 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 -4.943 -2.655 16.821 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 1.097 6.474 3.932 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 -2.473 2.536 -0.529 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 -9.335 2.783 1.062 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 -19.898 -5.836 -2.224 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 7.065 0.712 3.055 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 10.162 12.989 -12.788 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 0.283 11.889 -20.194 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 -3.023 -3.749 -0.903 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 12.246 -1.982 1.848 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 -12.477 -19.907 -8.953 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 3.602 9.135 -4.339 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 5.581 23.699 -3.103 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 9.928 10.801 -5.661 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 1.102 4.156 -6.969 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 -2.399 5.906 6.650 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 3.669 0.232 -15.187 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 -0.248 3.213 3.532 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 -5.327 -8.209 6.671 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 -0.499 6.982 1.726 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 2.993 -1.478 -4.850 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 -31.838 7.704 4.151 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 -6.753 2.564 -2.602 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 -3.283 0.535 -2.809 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 19.799 32.890 -6.846 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 -5.369 -4.797 -4.409 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 2.035 -1.371 2.504 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 -3.486 23.449 -0.832 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 16.839 30.150 -15.587 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 -0.142 -1.629 -2.051 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 10.187 6.260 -1.032 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 3.957 -11.387 -5.976 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 -2.097 -0.895 0.870 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 -3.232 -0.189 2.609 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 -11.382 -2.512 2.896 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 5.183 -2.497 1.058 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 -18.878 2.085 4.989 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 -23.775 6.117 0.517 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 0.580 -3.393 0.226 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 -1.449 0.181 -0.790 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 -2.106 8.102 -16.460 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 -2.276 2.430 2.192 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 2.407 19.748 -23.771 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 -4.304 3.207 5.990 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 -0.576 -1.397 -0.482 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 -6.266 -0.860 -11.939 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 12.461 -2.913 -3.460 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 -1.507 -1.961 1.601 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 -21.327 15.278 -2.860 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 3.368 -9.199 -6.889 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 -8.137 -5.843 -7.459 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 -11.463 -0.640 -4.505 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 -12.410 10.324 -0.087 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 1.457 -8.392 2.456 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 5.311 -9.948 -1.773 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 -10.085 6.256 6.789 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 1.019 0.757 6.185 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 30.105 14.594 46.078 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 2.568 2.564 6.875 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 -1.323 0.803 4.276 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 1.466 5.202 1.292 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 0.683 -7.090 1.824 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 9.331 -0.253 -1.859 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 3.408 8.390 -3.892 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 -2.226 3.156 20.079 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 1.881 -3.704 -1.702 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 0.580 0.492 -12.145 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 7.286 -9.615 -4.853 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 -0.232 11.890 -3.643 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 -9.259 -33.604 -15.702 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 1.530 11.034 -8.227 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 0.428 -0.203 -2.514 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 -12.596 -16.180 -9.508 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 -4.453 -3.166 -7.535 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 -9.654 -1.025 1.890 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 -9.739 4.968 -7.223 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 -4.285 -8.453 -13.185 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 5.897 -2.615 4.233 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 27.562 -26.963 -12.135 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 3.613 -8.092 -6.406 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 -9.909 3.668 12.383 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 -13.918 14.257 -5.206 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 -7.550 -6.451 2.516 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 2.276 -1.559 3.568 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 -2.941 -3.194 -6.601 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 -13.841 5.052 3.584 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 -1.333 3.024 1.794 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 12.244 25.004 14.280 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 -3.789 2.056 3.052 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 -1.851 7.204 -0.169 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 0.015 -1.933 -0.150 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 3.410 13.380 -0.500 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 6.482 -5.650 -1.726 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 -10.450 -6.210 0.811 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 15.843 -6.291 -3.475 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 4.924 -0.852 6.747 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 6.658 5.934 15.975 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 -28.204 -2.378 -10.267 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 5.819 -3.546 -3.616 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 7.345 -15.744 2.623 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 -8.771 -14.531 -2.694 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 -0.924 11.425 -0.988 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 -13.548 36.985 -15.957 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 -9.136 9.161 -14.468 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 -1.382 -10.833 -6.783 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 7.076 10.316 6.780 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 -0.834 -16.467 -16.089 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 -5.700 1.878 -2.339 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 -3.878 1.273 -10.698 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 -8.954 11.997 10.079 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 6.867 -0.997 -9.334 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 -11.515 1.356 22.320 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 36.277 -2.622 18.178 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 -5.393 -2.723 -2.734 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 -5.254 3.574 -0.207 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 -8.477 -6.850 0.648 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 -1.696 -1.180 6.276 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 -2.604 -2.725 11.182 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 -19.217 -3.889 22.478 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 5.288 -4.264 -4.609 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 6.574 -11.430 4.432 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 3.528 5.160 -15.945 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 4.074 -1.306 0.949 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 26.798 -20.992 -1.120 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 3.008 25.954 -26.990 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 4.101 9.393 7.371 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 7.627 9.878 -3.570 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 -8.034 -1.646 2.468 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 8.837 -7.018 -2.237 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 -13.680 14.402 -1.344 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 29.536 11.723 -8.471 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 0.381 2.951 1.637 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 -23.431 11.546 -12.939 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 -11.706 9.300 21.363 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 5.473 -1.047 -2.356 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 -0.709 -9.833 -14.401 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 0.809 -10.542 11.000 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 -3.960 3.286 0.568 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 0.433 -11.861 -19.431 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 -20.277 4.839 22.387 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 -1.080 -2.622 1.805 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 1.407 -10.084 14.397 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 1.296 -9.013 7.536 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 4.763 2.109 4.896 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 3.078 26.093 -6.847 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 18.828 -8.573 11.162 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 -1.642 3.006 -5.270 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 -15.831 5.352 14.511 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 -7.150 4.939 -8.756 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 0.077 -2.327 -9.389 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 11.126 -14.580 2.615 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 3.744 6.358 1.856 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 -5.628 -0.194 2.909 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 -26.039 -9.900 7.176 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 16.789 17.700 2.120 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 -1.139 10.182 -8.282 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 -9.102 -0.731 12.138 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 -9.188 12.052 4.576 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 7.780 0.417 1.847 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 5.612 5.263 3.731 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 7.758 -9.408 13.211 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 -1.694 5.279 4.843 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 -1.827 -3.222 -2.948 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 -4.677 11.973 3.247 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 5.840 -1.058 -4.264 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 10.876 2.222 12.303 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 3.524 -2.278 -13.039 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 -3.030 -1.901 -1.563 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 -0.565 14.948 13.409 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 -0.916 -5.382 -4.120 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 4.996 2.050 6.375 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 5.370 0.387 17.567 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 -10.297 -1.497 -0.886 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 -5.575 0.035 -4.609 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 -7.716 31.685 16.195 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 -15.277 17.106 3.783 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 -2.100 1.628 0.691 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 -4.670 27.654 18.603 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 -4.818 -20.432 11.486 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 2.913 -0.050 -3.333 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 -4.152 0.262 -0.929 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 -9.803 5.195 8.877 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 -6.234 -3.480 0.514 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 -4.432 -11.883 6.615 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 -6.137 6.716 -3.121 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 -1.362 -6.768 -1.251 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 -18.015 3.025 -5.933 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 -2.816 -1.292 15.487 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 -1.908 -1.372 0.550 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 6.608 18.573 34.159 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 -13.978 -5.636 -16.253 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 -3.107 2.545 4.773 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 6.411 9.016 -8.597 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 -1.303 11.270 5.319 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 0.096 5.637 -7.550 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 -0.341 -6.535 -6.101 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 0.482 9.840 13.360 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 -4.993 1.208 1.916 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 -8.140 -3.836 -16.842 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 -0.076 -16.090 11.658 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 1.559 3.865 -0.456 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 0.073 19.234 -3.689 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 -9.992 -4.826 -9.494 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 3.383 -3.858 -5.246 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 19.925 -18.804 2.480 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 -9.774 1.380 -14.739 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 3.683 -3.499 6.801 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 4.635 -4.585 6.904 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 3.132 -4.114 5.983 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 -7.466 -0.383 -6.555 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 -14.267 -19.889 0.045 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 -4.750 13.423 -16.020 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 3.038 -1.466 -0.036 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 16.372 0.311 13.039 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 -2.415 -15.041 -1.709 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 -1.214 0.030 -0.062 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 -0.781 9.333 2.869 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 23.345 -22.399 2.114 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 6.459 2.245 6.266 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 12.574 0.581 1.154 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 2.614 11.501 -13.121 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 -3.687 2.965 1.153 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 -10.747 16.765 15.057 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 6.036 19.042 2.597 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 -7.349 -0.267 1.982 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 -25.932 -2.703 -18.802 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 -5.734 18.178 -1.109 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 -5.781 0.831 0.114 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 4.996 4.729 -11.155 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 -5.719 -3.339 1.640 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 1.787 6.413 -2.386 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 2.565 4.473 0.736 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 7.647 -5.110 14.195 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 -2.083 2.467 3.880 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 -5.145 2.411 2.161 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 -1.929 -11.485 10.407 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 -7.562 -1.337 3.506 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 3.056 1.103 3.703 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 -9.833 -2.262 -27.405 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 4.454 5.687 -0.931 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 4.495 0.511 -9.696 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 12.574 -2.504 -24.913 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 2.714 2.789 2.353 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 -14.114 4.265 16.743 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 19.933 -12.934 -21.297 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 1.095 3.655 1.422 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 -0.964 1.238 -3.396 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 0.359 5.480 8.222 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 -0.873 -0.236 0.850 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 -4.249 -10.701 -1.403 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 0.938 7.930 6.921 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 -2.298 -1.692 4.809 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 4.904 -3.045 6.723 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 -0.370 15.353 -0.270 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 1.450 -2.805 -9.928 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 -3.281 1.634 8.541 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 -25.694 -3.333 -16.171 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 0.997 2.728 5.812 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 1.421 -1.109 -0.611 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 -7.044 3.615 5.787 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 -0.828 3.789 1.620 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 1.117 5.697 -10.771 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 -19.517 -16.833 23.332 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 0.553 3.243 -0.102 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 -20.282 0.346 4.578 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 -5.402 -1.400 -9.232 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 0.320 0.610 -4.830 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 3.060 -1.028 -0.494 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 2.399 1.190 1.267 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 -1.768 1.962 -1.592 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 -14.419 -8.794 -5.461 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 16.080 -1.983 -0.560 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 -4.418 2.983 0.753 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 9.262 -5.884 -2.006 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 -12.351 -26.043 -13.371 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 5.377 -3.544 1.738 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 12.635 -6.596 11.347 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 7.915 14.010 -4.706 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 4.635 -3.400 3.029 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 11.582 -1.424 -16.460 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 2.840 -0.662 1.357 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 0.772 -0.050 -10.139 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 20.392 -11.854 -15.648 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 9.340 18.759 2.602 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 -5.083 7.436 0.157 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 -14.325 -3.878 12.609 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 -14.827 1.349 -16.604 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 -2.271 0.877 -1.540 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 -12.725 -1.755 -16.913 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 11.664 -0.432 18.502 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 -2.468 5.037 0.107 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 -1.127 -11.566 -48.322 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 -20.892 11.322 -2.947 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 -7.377 -11.164 1.689 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 -2.945 -2.214 -5.226 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 -6.080 7.967 -10.406 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 -0.186 -8.869 -0.876 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 2.357 -2.361 20.941 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 -6.456 7.679 -0.643 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 -1.264 4.226 -3.301 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 -5.597 -9.605 2.540 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 1.736 -20.264 -2.704 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 3.982 0.311 3.669 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 -18.187 1.185 -13.290 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 -16.541 -6.588 8.572 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 3.806 -1.591 -7.095 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 -6.136 -3.688 -2.575 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 -4.076 -4.363 -2.899 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 4.152 0.493 4.571 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 0.190 11.801 -1.092 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 -3.804 -8.563 7.063 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 2.632 -6.943 4.195 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 -19.955 1.436 -20.259 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 14.605 -38.227 -5.869 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 -9.869 1.821 -6.155 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 -2.149 -8.683 -7.311 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 0.416 6.756 -0.885 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 -4.987 -2.958 -1.581 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 -12.654 -6.050 17.399 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 2.255 -13.023 -1.860 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 -0.923 3.928 3.852 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 6.940 -13.280 -17.474 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 16.695 10.887 12.327 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 -6.151 -1.711 6.344 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 -29.878 4.718 14.797 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 -10.012 -4.820 6.109 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 -4.749 -1.334 -3.359 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 -2.976 -6.144 -1.663 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 -6.335 -1.760 -3.926 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 -0.729 5.154 -3.717 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 -8.023 -9.586 3.449 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 19.511 -18.564 -6.830 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 -5.015 10.780 3.766 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 -4.911 2.095 8.947 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 -7.326 8.545 -7.139 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 4.744 6.281 4.650 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 5.096 0.323 6.437 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 -1.129 -7.135 6.607 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 4.895 -0.013 0.445 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 11.840 -2.882 1.249 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 -9.764 18.019 -6.212 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 -4.237 1.320 6.713 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 -11.652 15.356 14.733 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 -7.192 6.015 -33.388 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 2.218 0.812 2.202 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 -13.752 3.226 -6.360 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 11.707 7.553 -11.121 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 1.434 -1.579 -0.083 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 12.822 -11.616 8.393 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 3.178 -0.862 -8.013 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 -1.759 -1.788 10.284 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 18.150 -7.303 22.011 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 6.536 -0.156 -10.632 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 5.335 -1.180 -4.617 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 -4.470 -0.831 -4.250 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 0.039 -1.231 -8.185 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 -7.503 -1.130 -6.867 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 -8.737 -6.317 -19.471 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 -12.864 2.372 -23.264 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 -1.445 4.564 -8.357 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 16.442 16.045 -34.432 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 2.687 -25.238 -8.484 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 1.857 -0.836 -13.490 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 5.145 2.145 -4.103 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 -4.869 22.994 -2.005 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 2.382 4.620 7.363 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 13.648 8.410 1.227 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 -5.693 18.466 7.388 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 -2.377 -0.384 1.121 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 -6.439 -4.069 6.449 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 0.610 -15.222 4.574 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 -3.255 -2.101 -1.158 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 -11.520 -14.573 12.488 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 6.583 -5.438 -12.570 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 1.870 -0.285 2.968 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 10.150 -11.775 12.702 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 -14.976 34.162 11.796 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 -4.438 0.221 -1.996 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 -1.942 -14.388 -3.039 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 -1.186 0.068 2.398 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 4.036 2.803 4.428 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 -3.158 -3.467 7.892 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 3.676 -14.688 -7.800 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 -0.589 -0.045 -0.482 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 7.067 -21.410 8.077 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 -6.173 13.508 -24.090 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 -4.067 -4.293 3.856 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 -3.029 4.049 2.820 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 -27.726 1.408 4.768 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 -4.941 -0.973 -5.492 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 -25.101 12.937 26.061 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 -3.463 -3.278 -6.111 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 1.558 -0.019 -2.480 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 7.524 -12.102 -4.475 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 -0.786 3.796 6.385 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 0.528 4.678 3.805 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 2.290 5.799 1.333 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 -9.977 3.031 -19.924 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 -0.514 2.783 3.158 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 6.939 -3.235 -0.697 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 16.751 28.878 -22.667 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 -2.845 -2.898 5.172 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 6.560 -8.525 1.874 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 -10.741 2.412 -6.493 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 0.947 1.604 -2.633 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 5.810 -1.444 19.539 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 -4.555 27.017 0.757 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 1.503 -3.953 2.346 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 4.713 -34.869 -3.299 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 -8.627 9.214 -15.453 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 1.779 4.782 8.043 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 -25.067 3.129 9.161 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 10.408 10.076 -11.456 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 2.859 -1.017 -3.460 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 8.050 -5.813 -0.099 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 -4.649 7.446 -10.836 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 8.590 -1.738 2.622 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 1.959 -1.616 0.266 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 14.768 0.955 0.623 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 -4.838 -2.336 2.344 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 6.305 4.550 1.439 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 -0.202 -0.087 9.121 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 -7.813 1.905 0.893 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 4.694 -2.407 5.769 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 27.995 8.102 20.621 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 -1.271 -0.584 1.067 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 7.931 -10.854 -14.812 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 6.322 -25.496 -19.472 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 3.501 -3.423 -1.907 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 0.980 -1.201 -0.597 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 6.413 -5.336 -4.305 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 6.815 -7.909 -7.153 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 -0.460 -6.792 -17.791 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 7.355 -23.299 7.479 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 4.715 0.544 -2.302 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 3.027 -3.021 -0.946 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 4.580 0.459 -2.685 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 -1.723 -0.231 -5.120 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 22.558 13.308 16.495 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 -15.886 13.840 -11.409 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 0.889 -5.157 -7.479 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 -16.711 -26.520 -9.768 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 -7.819 6.796 13.173 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 6.402 -5.022 0.789 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 -6.569 -3.050 -4.710 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 15.439 2.250 -4.298 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 0.773 5.097 3.479 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 13.221 2.235 -4.978 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 -6.724 5.978 8.334 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 -0.027 0.848 2.746 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 18.658 7.886 31.773 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 3.834 0.899 14.979 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 -0.751 -5.537 0.245 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 -8.396 -8.919 3.641 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 9.672 -8.334 -7.631 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 -0.384 6.584 7.881 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 4.992 4.242 10.413 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 -4.045 3.400 4.574 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 0.149 -1.183 -4.488 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 5.059 7.776 0.340 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 1.422 -8.554 -13.230 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 -3.466 -3.601 -5.178 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 -0.913 -5.339 -5.874 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 -8.728 -23.213 -5.921 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 -3.316 4.002 -2.797 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 -3.491 3.907 -1.999 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 -20.271 2.848 -3.825 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 3.714 6.633 -3.017 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 -1.570 1.779 15.768 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 10.016 6.370 7.459 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 -3.387 2.210 9.995 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 8.538 9.685 11.101 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 -18.620 -2.741 9.167 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 0.235 1.725 -2.038 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 6.915 12.549 7.966 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 13.753 14.270 2.381 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 1.897 0.968 2.174 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 -13.546 1.499 -1.078 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 4.645 4.557 17.904 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 5.635 3.956 0.277 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 -6.758 1.979 3.990 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 16.638 18.706 4.469 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 -2.884 0.889 -1.625 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 25.024 -8.461 0.466 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 -8.328 14.665 -24.159 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 0.165 2.386 -8.434 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 -5.830 -3.395 -5.998 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 -10.892 -10.872 0.488 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 -4.790 -2.417 -4.204 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 -1.983 9.531 18.946 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 0.623 9.914 17.802 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 2.326 -1.251 5.409 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 24.627 10.869 2.959 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 -2.969 22.544 20.610 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 5.317 2.129 4.360 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 -8.911 11.494 5.888 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 12.446 9.223 -8.556 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 2.055 -1.594 -2.201 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 -4.498 -5.890 4.645 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 -1.327 -7.865 10.235 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 0.260 -5.689 0.965 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 -10.741 0.732 -2.925 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 3.905 -6.224 5.983 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 -3.100 0.096 -1.049 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 -22.079 -14.452 -20.165 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 2.811 2.309 1.050 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 -2.176 3.269 2.294 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 -5.180 -5.854 3.729 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 10.255 3.499 2.998 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 6.964 1.733 10.861 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 6.355 5.120 7.739 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 -13.078 -23.354 2.931 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 1.355 -5.357 -2.064 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 9.262 1.627 -8.488 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 3.955 2.650 1.130 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 0.118 7.320 -5.837 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 -7.448 24.640 5.639 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 -1.120 -5.245 20.798 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 -4.595 -3.186 -0.718 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 -16.116 -17.058 7.610 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 -16.379 11.287 14.846 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 -0.669 5.338 6.298 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 -6.063 9.803 3.050 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 -13.068 5.586 -1.775 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 -4.081 -1.902 -5.567 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 7.696 -8.529 -3.580 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 2.270 -11.995 13.170 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 -4.923 -2.347 1.074 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 -31.020 1.146 3.554 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 9.073 -7.898 6.815 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 -2.008 1.426 0.810 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 -25.066 1.825 9.213 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 7.869 -21.474 14.374 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 0.329 2.735 6.309 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 -2.870 -0.909 10.150 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 -3.206 -22.270 14.315 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 -7.008 2.192 3.079 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 3.619 2.892 -12.505 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 4.252 -4.225 16.751 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 0.126 -0.194 4.558 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 -6.887 7.996 2.644 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 -10.659 3.338 6.820 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 -9.709 0.971 5.801 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 -10.176 16.498 2.328 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 -10.068 -21.065 11.925 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 -4.214 1.498 0.310 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 -14.788 -13.540 -35.288 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 -2.896 9.568 2.199 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 8.687 1.657 0.289 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 11.913 -7.436 -2.339 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 36.097 24.402 -3.273 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 0.697 -4.308 0.773 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 -12.761 -5.078 24.357 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 1.095 -7.929 -1.395 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 -0.751 -3.968 -4.626 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 -0.772 -5.006 0.552 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 -4.014 -4.625 -3.423 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 -1.011 3.136 4.055 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 2.677 1.747 8.335 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 1.015 7.807 0.407 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 5.243 4.738 2.171 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 -10.777 -15.871 -9.130 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 -30.022 18.781 2.106 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 -2.236 -4.830 -0.570 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 3.888 -10.039 0.103 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 -16.319 -9.781 6.871 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 -1.686 -7.143 -3.927 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 -2.098 -0.818 15.432 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 -3.517 -8.439 -16.190 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 -0.687 1.866 0.567 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 10.794 4.706 -7.602 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 -3.099 2.513 4.568 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 1.411 -2.619 1.111 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 6.849 -6.052 -5.338 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 4.029 0.618 0.402 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 0.533 0.807 0.568 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 2.880 23.329 3.541 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 -0.006 -27.835 -3.688 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 1.389 2.321 -1.012 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 -2.268 -10.516 -5.465 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 4.669 0.461 -14.187 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 -1.827 0.334 -1.329 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 11.442 -7.966 -8.071 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 3.211 -7.108 -2.944 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 -8.188 4.395 -0.907 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 -12.403 0.738 6.209 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 -1.559 2.742 -4.833 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 0.028 -4.245 -2.320 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 -11.551 0.479 19.542 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 -12.761 -10.688 -11.152 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 -3.089 2.929 -5.449 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 -10.284 1.700 -1.750 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 9.094 -4.455 0.393 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 -1.768 0.729 -0.560 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 3.263 11.912 -26.015 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 -23.282 16.485 8.679 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 2.410 -1.540 2.198 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 -9.460 0.046 5.036 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 7.106 1.575 -6.135 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 -0.461 1.871 8.457 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 2.102 8.679 -8.442 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 0.806 -10.872 6.448 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 -2.449 -2.177 3.331 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 -13.972 -4.662 -8.699 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 3.306 8.469 4.997 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 0.919 5.163 2.239 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 -5.791 -10.359 5.286 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 2.533 -4.070 -1.020 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 2.186 -0.999 1.498 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 -20.524 -14.578 -42.037 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 5.653 2.200 15.871 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 -5.576 3.361 -0.173 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 -30.106 13.115 10.682 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 2.765 2.833 25.051 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 -7.895 -7.083 1.002 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 -2.442 12.086 -2.793 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 11.578 -18.506 10.896 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 -6.170 2.485 2.874 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 6.772 -4.849 -17.571 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 -10.626 8.023 17.306 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 -5.733 8.317 -0.828 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 -22.766 0.680 -1.161 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 -13.561 -31.664 -12.562 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 -4.122 2.654 -1.047 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 -11.416 -10.193 3.303 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 3.257 -5.967 -14.493 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 6.595 -2.349 7.160 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 16.938 -5.100 -8.899 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 19.432 -8.269 15.238 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 0.287 1.863 -3.818 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 10.095 -2.626 -2.359 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 -20.027 20.631 11.302 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 6.417 3.407 5.812 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 12.203 -0.402 1.046 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 -7.374 -19.582 6.277 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 -2.340 -3.323 -6.428 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 -0.353 -22.347 -4.528 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 -12.791 -8.705 -14.945 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 0.953 -0.459 -4.775 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 -5.899 6.741 18.290 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 1.199 21.966 -11.329 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 -0.304 -4.909 2.594 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 -6.034 -25.995 -13.610 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 8.966 3.718 6.890 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 5.777 4.141 2.428 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 -6.022 31.189 7.925 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 14.357 2.846 2.227 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 3.964 -4.157 3.680 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 5.034 10.189 -5.578 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 3.920 -10.801 7.003 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 -0.409 3.062 0.807 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 13.416 -2.980 -1.869 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 -23.949 -10.439 4.096 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 0.288 -0.722 -3.471 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 3.707 1.910 5.436 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 -4.582 7.846 -0.084 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 1.513 2.991 -3.775 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 -0.691 7.502 -5.418 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 2.273 2.337 -3.777 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 -2.638 2.039 5.592 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 5.825 15.552 -8.360 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 15.293 7.957 18.327 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 4.383 -1.139 1.354 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 -6.959 -14.710 2.562 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 3.768 -14.571 22.250 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 5.516 1.222 -7.166 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 -7.915 -9.999 -6.115 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 12.192 16.951 -19.441 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 -1.316 0.484 -1.617 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 16.382 1.436 -5.599 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 -7.332 0.599 1.579 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 -7.762 6.753 0.129 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 -2.875 8.828 6.313 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 -7.362 7.393 -15.985 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 -6.835 3.941 -4.519 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 -11.295 -3.139 7.521 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 -7.805 -0.970 -6.182 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 5.411 -6.719 -2.276 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 -17.071 -5.834 12.871 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 17.996 10.555 -12.805 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 1.072 -5.325 -6.262 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 2.020 22.131 26.095 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 -10.429 -3.357 -6.242 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 -3.858 -2.100 -4.604 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 -1.877 -4.029 6.449 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 1.228 -7.027 24.732 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 -4.109 -4.938 2.323 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 2.691 0.508 8.747 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 -4.819 -13.620 -15.966 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 -1.822 -3.979 -1.191 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 2.627 -0.013 -27.001 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 20.813 -1.237 11.278 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 4.384 2.979 2.928 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 -3.105 4.524 11.203 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 7.386 6.594 -17.575 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 2.947 -3.860 -3.049 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 6.055 -1.663 -19.291 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 -15.447 -22.664 33.444 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 -1.658 -2.759 0.203 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 1.819 -4.903 -4.297 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 2.788 -1.274 1.471 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 -0.335 -2.101 6.829 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 13.286 -10.929 7.970 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 -5.865 -10.206 -9.467 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 0.247 5.512 -4.434 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 30.658 -4.613 -1.427 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 -13.688 -20.834 -14.829 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 -1.597 -8.795 7.658 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 -2.024 -10.889 7.667 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 11.159 8.869 5.633 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 -4.047 -0.710 -8.254 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 -13.060 -4.728 2.070 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 -9.792 7.987 4.895 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 -6.008 1.141 -8.253 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 -8.090 16.013 9.383 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 -1.430 16.281 -9.121 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 -4.017 1.249 7.284 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 -16.514 -4.746 -1.323 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 11.824 9.228 10.532 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 -4.272 -0.545 2.881 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 -12.724 -7.537 3.629 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 -12.369 -12.791 10.857 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 0.212 -0.168 0.644 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 1.089 0.450 4.843 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 25.838 -7.985 0.905 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 -8.961 2.776 -3.206 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 -8.683 1.489 1.517 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 -15.211 -15.019 7.465 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 5.660 4.296 6.229 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 -0.136 15.958 -12.181 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 -1.126 23.203 27.620 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 -3.219 11.699 0.088 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 -3.864 -27.237 1.936 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 18.129 2.603 -12.590 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 -3.475 2.254 0.815 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 -9.473 2.972 -3.504 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 -6.110 6.882 2.706 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 0.762 -7.095 0.381 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 -9.948 3.675 16.901 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 19.193 -1.516 17.167 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 -5.698 0.158 -1.218 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 -8.379 -11.926 0.040 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 -1.359 5.691 -8.382 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 0.137 -4.889 -6.573 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 -16.317 -1.036 6.703 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 7.247 4.206 -11.331 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 8.755 -0.020 -0.186 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 -4.154 3.131 -12.054 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 17.132 7.327 9.111 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 -2.133 -7.328 1.437 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 -1.356 -3.385 -26.066 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 -1.838 -2.877 -28.296 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 -2.835 -3.577 -2.484 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 11.037 52.326 -15.660 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 -1.464 -0.942 -3.387 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 13.507 -1.566 -0.572 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 -5.621 19.228 4.821 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 -10.185 -7.116 -0.729 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 3.945 1.291 2.843 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 -3.187 -8.133 10.482 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 -0.865 -5.435 -4.644 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 9.553 1.150 2.498 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 -1.457 15.633 -25.100 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 -6.724 -21.171 3.196 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 -4.560 -4.189 -6.155 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 20.327 -2.322 -1.661 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 -1.541 -18.483 5.557 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 3.352 -7.065 -0.113 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 17.889 -21.136 -6.418 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 14.647 -28.629 -0.522 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 4.066 2.877 1.280 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 -16.835 1.723 -17.303 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 21.300 -9.122 -10.211 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 1.816 -1.956 2.214 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 32.617 -14.404 -38.431 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 -9.142 -20.896 -4.272 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 5.123 1.635 -8.917 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 -2.403 -1.864 -25.432 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 6.114 -5.319 -0.439 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 4.777 -0.692 -3.713 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 -8.017 1.248 -6.219 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 14.852 0.319 8.522 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 -1.831 0.994 -5.910 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 -5.714 4.141 6.504 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 -0.820 -9.379 -16.930 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 -2.165 0.944 -5.653 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 1.096 -3.679 8.531 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 5.720 -23.398 -17.743 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 -2.938 3.483 3.273 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 -1.627 5.828 -6.536 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 3.077 -6.864 7.657 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 5.164 -2.894 2.019 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 4.548 -5.796 5.543 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 3.662 -2.371 -0.070 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 -7.632 -3.628 2.745 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 -10.666 -12.502 0.216 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 -2.507 2.230 -7.751 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 -1.375 -0.285 4.025 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 -24.911 -2.099 -7.184 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 7.194 -10.381 10.427 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 1.507 -4.826 5.149 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 5.524 3.616 -2.192 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 -24.006 11.718 10.663 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 7.057 -9.548 -3.624 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 -3.599 2.286 -14.864 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 -4.447 -2.274 -3.946 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 -5.248 -1.577 -0.456 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 -9.102 -6.170 -0.721 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 -3.920 -1.289 0.642 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 -3.916 4.883 5.386 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 -1.587 10.442 4.521 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 -7.732 -2.909 4.318 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 -4.416 3.512 3.950 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 -11.287 19.532 14.154 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 -3.469 -12.384 18.730 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 4.873 -6.848 1.774 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 -2.383 -4.978 8.562 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 9.589 -18.644 4.540 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 0.687 -0.638 2.140 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 -2.933 4.796 12.678 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 17.477 1.615 -10.298 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 5.785 -0.902 -0.855 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 3.158 -50.922 12.862 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 2.203 -7.458 -4.504 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 2.012 1.145 8.625 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 0.433 0.688 10.599 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 -6.017 0.872 13.733 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 6.768 -4.762 0.463 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 26.252 12.319 1.452 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 22.800 24.073 0.226 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 2.698 -1.263 3.997 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 5.559 -3.346 -0.390 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 -2.154 -8.021 5.357 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 -0.083 -1.787 -6.486 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 -0.401 -2.137 -32.061 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 -1.623 -38.485 0.026 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 -7.093 1.763 -8.176 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 -8.361 4.129 -22.124 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 -17.267 -9.502 -2.334 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 1.118 -0.911 8.250 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 27.724 -8.357 2.589 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 -22.125 -21.342 -0.503 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 -2.262 -4.045 -0.450 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 -10.297 -5.258 -2.809 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 -0.463 6.461 1.319 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 0.194 -3.497 4.874 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 -0.779 -9.413 8.856 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 -13.012 19.641 -7.252 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 -6.101 -1.952 3.295 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 -19.463 -21.215 -18.576 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 0.426 10.114 9.404 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 2.381 -0.141 2.277 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 -2.851 0.849 6.059 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 14.621 23.524 -14.095 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 -2.845 -1.877 -0.511 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 26.146 -28.179 5.972 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 34.517 5.477 16.527 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 -2.668 8.068 -2.347 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 -5.990 8.317 13.785 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 1.330 -5.568 -3.771 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 1.855 -3.104 6.789 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 -12.452 -9.987 14.059 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 -9.967 -9.319 -5.134 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 -9.607 2.222 -1.715 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 -19.630 3.895 0.084 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 3.813 -2.125 -7.671 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 2.709 5.137 -1.292 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 -6.318 17.321 3.131 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 18.114 8.582 5.577 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 2.025 -1.572 4.387 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 11.697 -16.143 -11.010 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 38.153 -2.665 -15.630 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 -2.619 -1.314 4.388 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 0.183 3.083 -12.887 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 8.329 -0.047 18.106 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 7.913 -2.853 -0.206 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 14.032 8.083 2.031 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 4.557 -4.272 -1.723 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 0.158 -0.243 5.803 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 8.798 -18.250 5.154 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 7.565 -1.941 -2.781 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 -5.343 3.381 -0.949 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 -4.077 28.807 6.299 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 -4.195 10.891 -5.120 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 3.142 0.102 -3.802 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 -3.473 -9.066 8.929 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 14.586 -17.055 0.579 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 0.098 4.406 -2.049 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 -4.180 -4.268 -5.113 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 -15.148 -2.850 0.485 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 0.810 7.222 2.063 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 -7.289 31.912 32.718 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 30.272 22.317 -30.188 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 3.042 -3.871 2.538 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 -17.902 -9.947 -7.741 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 15.064 17.195 -7.285 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 -2.412 -2.824 0.835 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 -18.891 6.596 3.456 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 11.316 -11.993 0.357 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 -4.313 -2.419 2.435 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 -2.726 -37.324 7.743 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 5.836 -14.064 -18.999 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 2.931 -1.921 5.440 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 0.733 0.929 8.148 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 4.785 19.403 -19.075 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 -1.852 2.161 -2.113 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 -0.249 3.902 -7.122 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 -2.680 0.687 4.870 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 -6.675 -6.493 -0.788 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 -16.377 -5.064 13.606 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 -6.092 -6.562 -0.675 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 0.228 -6.098 1.129 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 4.523 -23.207 32.508 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 9.364 27.920 5.676 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 -6.487 2.850 -0.641 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 -11.222 3.373 -7.579 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 -8.467 13.891 -2.701 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 7.056 -0.704 8.272 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 -10.285 -22.089 3.723 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 31.228 22.299 10.524 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 0.879 4.877 12.015 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 -13.328 22.695 1.264 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 -12.307 7.712 -5.493 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 -9.279 -4.714 2.277 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 -2.806 10.304 31.835 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 10.063 12.348 -24.164 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 1.641 6.146 -0.286 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 0.153 7.362 -5.837 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 32.167 4.414 23.984 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 -3.773 -0.660 1.001 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 23.055 -24.158 -4.806 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 -10.387 9.395 -14.234 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 0.713 -2.965 -1.977 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 8.239 -12.791 -1.935 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 2.013 2.009 8.602 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 1.679 1.971 -1.123 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 1.851 2.124 6.373 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 4.614 -9.455 2.857 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 -8.053 -1.104 0.211 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 -16.724 7.604 10.460 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 -4.439 -6.431 9.810 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 -0.886 -2.014 1.168 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 0.804 -5.019 5.880 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 5.683 -11.625 13.671 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 2.807 1.376 0.886 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 -8.258 -6.832 7.313 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 8.383 -6.618 -1.921 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 3.450 0.204 -1.259 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 6.496 14.563 -20.286 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 6.677 -12.169 12.697 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 -1.495 2.883 4.966 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 0.624 15.532 -4.563 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 7.492 0.305 23.727 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 1.003 0.985 -1.471 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 0.491 12.289 -4.378 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 -14.639 1.196 6.248 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 4.231 -0.866 -1.535 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 -16.856 -3.265 10.523 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 -4.268 -4.292 -0.720 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 -0.195 0.108 -1.681 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 -9.371 -3.001 -19.906 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 3.044 21.007 -0.283 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 -2.095 -0.976 -7.232 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 17.110 16.437 -7.886 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 -7.321 -16.537 1.247 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 5.553 1.594 -1.633 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 -3.318 0.838 7.911 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 11.764 14.759 -2.343 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 2.867 -2.873 -3.074 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 -22.227 -13.437 -33.329 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 30.072 -0.487 -24.981 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 -0.478 1.661 -1.201 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 0.563 6.004 10.180 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 -3.592 -7.842 -16.619 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 1.139 0.253 0.649 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 -12.762 9.204 -9.163 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 10.613 14.717 11.499 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 -0.074 7.633 4.524 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 14.512 -10.675 -1.720 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 -4.955 0.727 30.343 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 -5.865 2.436 -3.344 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 0.148 35.245 -3.676 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 -12.321 8.282 -14.667 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 -1.113 0.243 2.106 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 -0.692 7.769 -2.818 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 -5.124 -6.253 -1.302 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 -0.976 3.803 -5.597 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 -18.880 -3.369 -6.235 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 11.790 -8.915 -3.110 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 -6.025 -0.281 5.771 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 -20.347 2.711 -18.510 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 9.644 -3.604 29.058 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 -2.329 -3.587 -8.204 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 -5.292 16.944 4.736 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 -12.795 12.616 -2.376 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 3.821 -5.932 1.750 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 13.033 1.988 -1.269 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 0.704 -4.069 -1.832 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 3.750 1.791 5.283 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 12.391 -22.111 7.027 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 -4.375 5.436 7.801 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 3.309 -3.459 3.234 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 14.530 -17.205 3.985 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 -16.527 1.963 5.745 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 4.711 1.171 -0.187 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 0.772 -3.769 9.442 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 7.848 -0.504 -8.881 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 3.518 -1.840 -0.538 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 -18.897 -0.921 -8.466 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 -10.796 3.974 9.585 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 3.541 1.596 -4.344 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 5.884 -12.762 -6.922 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 6.235 -3.684 -9.010 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 1.104 -0.847 3.047 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 4.500 -2.348 11.352 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 -15.401 -9.288 5.355 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 -3.784 3.230 3.419 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 -22.615 -10.464 -17.461 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 -7.095 2.867 -7.064 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 2.948 -2.040 2.245 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 -10.947 1.548 3.512 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 -5.531 1.852 12.171 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 -7.730 3.002 -0.765 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 12.473 4.494 2.348 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 -13.655 6.162 17.757 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 1.666 -0.431 0.780 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 4.758 -1.477 15.316 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 -4.525 -9.679 -4.275 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 2.458 -0.618 -2.148 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 12.876 13.296 3.354 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 12.855 18.689 7.454 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 3.189 4.103 -0.971 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 8.222 -7.754 3.769 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 -3.126 9.782 -5.285 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 3.776 -6.384 -1.845 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 2.826 -3.023 -2.418 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 5.771 -5.808 -2.059 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 5.746 3.333 3.644 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 2.491 7.468 14.274 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 9.381 -7.998 -7.524 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 -1.186 -1.299 -1.559 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 1.363 19.547 -8.587 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 5.050 6.183 -5.366 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 -5.796 2.162 5.660 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 14.205 -6.318 -3.367 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 -5.420 8.758 14.248 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 0.514 -1.215 -3.410 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 -1.765 -1.355 -3.357 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 8.042 -1.500 -2.451 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 -6.094 -1.132 -0.761 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 -0.601 -1.571 12.353 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 -13.627 8.666 1.570 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 -2.393 3.358 -2.176 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 -11.929 -4.371 21.931 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 29.944 26.731 -9.870 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 -5.243 -5.405 -1.999 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 -13.105 -4.128 -11.882 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 14.787 -18.343 2.438 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 -0.542 0.234 0.346 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 29.320 -11.798 -4.215 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 -17.437 -23.525 5.138 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 -5.442 1.521 5.626 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 -15.638 -13.447 13.436 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 15.048 -2.794 -20.714 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 2.461 -4.229 -0.352 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 -8.900 9.245 8.399 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 -7.832 -8.406 -18.356 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 3.485 2.198 -7.658 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 -15.082 16.032 -8.172 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 26.331 12.899 0.381 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 3.922 5.041 -1.360 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 -0.575 3.690 5.712 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 4.785 4.214 -3.387 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 4.363 -5.929 -0.983 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 35.106 -16.330 -3.225 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 4.004 -7.697 -0.930 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 3.439 3.532 -0.977 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 -6.600 5.819 -7.750 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 14.257 15.675 11.428 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 7.064 4.156 -3.078 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 4.212 12.576 -23.017 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 -12.739 -9.221 -10.599 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 -3.611 -0.721 1.240 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 2.990 -1.579 -2.967 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 -8.986 -7.802 2.649 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 -1.630 -4.184 6.326 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 1.668 11.451 -2.520 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 -14.223 5.401 -9.526 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 -4.701 -1.019 -0.761 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 27.047 -8.141 19.792 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 -12.676 -16.827 -7.651 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 -5.155 0.181 -7.265 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 -16.300 -9.392 4.206 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 9.464 3.045 -6.871 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 1.734 2.279 -5.434 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 -1.580 26.556 7.804 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 3.086 -37.592 -15.828 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 0.164 3.569 1.110 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 -7.091 5.432 -16.888 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 10.235 3.748 -14.108 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 -2.083 3.212 3.371 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 1.058 -3.112 8.288 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 -2.649 -14.761 5.510 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 -0.999 9.102 4.731 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 3.641 40.013 -10.197 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 -1.576 18.017 2.549 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 -1.855 6.373 2.417 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 -21.825 5.573 -4.592 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 -7.439 14.507 -2.331 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 2.072 -2.869 2.173 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 -1.591 -13.510 7.555 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 0.659 -15.908 -3.922 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 3.987 -5.382 -2.748 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 -31.909 8.746 10.733 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 11.070 -44.345 12.206 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 2.067 6.035 -1.320 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 7.297 -3.492 3.078 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 4.435 2.607 -17.167 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 -1.652 0.365 -7.778 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 -7.565 -5.259 0.354 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 6.023 -3.429 -16.412 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 4.129 0.518 -7.290 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 40.661 1.772 -18.043 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 -9.453 18.753 -23.661 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 1.932 -0.453 -0.617 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 -4.996 -15.526 13.657 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 0.703 -2.682 0.897 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 -3.598 -3.453 1.068 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 -13.013 -9.556 -15.800 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 -12.188 15.144 -8.262 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 -2.190 0.221 -1.022 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 2.762 -3.621 -4.397 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 -6.689 -25.406 2.414 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 -2.279 1.170 -6.244 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 5.749 28.586 19.450 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 1.807 -3.793 -16.734 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 1.517 -4.725 -6.337 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 -26.916 -16.393 16.049 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 -2.895 -10.711 -17.964 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 -0.447 2.300 -1.788 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 -1.038 -36.585 -40.581 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 -0.137 1.073 -3.075 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 -1.503 -2.376 -0.392 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 -18.763 -25.867 -4.373 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 6.997 6.473 -31.749 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 0.299 -6.566 -1.780 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 11.905 -3.183 -5.637 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 -8.012 9.462 -7.099 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 0.521 3.006 4.866 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 2.452 -26.900 -28.682 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 1.895 -15.005 -16.447 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 3.442 0.306 0.187 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 15.366 0.903 -7.808 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 13.433 0.872 -20.969 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 -1.201 1.778 -1.035 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 -8.889 -7.567 -19.921 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 13.253 11.874 -5.682 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 -6.041 -1.884 0.219 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 26.623 19.475 12.193 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 -39.117 -32.983 1.024 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 -8.101 0.148 -0.110 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 3.533 10.461 -7.417 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 14.794 -13.821 -15.753 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 -0.442 -1.699 -6.022 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 3.599 -4.811 -15.347 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 12.588 2.365 -6.359 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 1.342 -1.988 1.536 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 1.330 8.786 1.489 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 15.463 0.709 12.116 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 2.081 3.905 -4.999 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 16.940 -14.058 -2.812 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 5.556 16.793 17.022 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 -0.844 3.231 -1.341 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 -20.722 12.098 -12.439 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 10.886 22.814 7.360 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 -4.143 3.760 -2.933 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 -1.259 -5.342 10.041 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 12.558 7.955 -6.248 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 -3.260 0.976 3.697 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 1.701 -3.441 -0.780 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 -11.507 -5.940 3.391 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 4.338 -4.509 7.785 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 1.969 -12.366 5.926 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 -1.859 -9.022 9.659 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 6.382 -1.438 -1.961 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 -12.051 -11.317 8.729 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 -15.119 -2.958 7.594 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 -11.787 -2.623 1.781 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 -9.907 31.703 -28.250 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 -10.980 0.556 -1.439 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 -0.700 -1.215 0.760 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 -13.622 -7.284 -7.743 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 11.368 -12.707 -6.991 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 -0.520 -0.967 -3.610 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 -8.239 14.962 -10.988 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 15.104 -3.309 2.919 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 2.213 -7.135 6.663 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 1.729 -7.156 9.066 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 4.038 -7.122 -7.664 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 1.388 5.636 6.547 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 5.623 19.882 7.453 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 8.201 4.994 -3.914 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 -3.067 2.047 0.968 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 -0.135 -2.365 -10.489 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 -2.236 0.209 0.191 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 -2.230 -1.127 -0.939 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 -4.859 -3.788 4.092 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 1.615 -13.118 12.076 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 3.874 -0.222 -4.151 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 19.782 6.860 1.705 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 6.019 0.651 -1.845 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 -4.685 5.865 -3.803 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 -0.470 7.835 -1.646 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 -13.075 12.231 -1.760 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 1.744 -0.257 -7.578 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 -3.989 24.414 5.807 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 -10.856 17.056 -19.645 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 -0.802 1.656 4.767 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 -11.404 -7.280 9.811 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 -5.142 7.607 -4.681 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 -5.533 6.815 -4.887 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 -21.337 35.064 7.531 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 -3.574 10.695 -3.560 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 1.035 -1.444 -0.095 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 0.179 6.227 18.670 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 3.469 2.027 4.705 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 3.746 1.327 -6.375 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 4.387 -0.569 -2.713 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 0.513 1.148 9.208 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 2.422 2.063 0.433 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 -8.662 10.648 -11.662 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 -8.621 -1.222 7.817 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 -3.266 2.195 3.137 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 -5.697 5.701 3.967 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 12.782 -5.940 -3.709 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 1.695 2.502 -2.723 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 -13.105 -12.311 1.798 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 -6.247 -5.358 -0.249 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 -1.978 3.554 -1.466 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 1.779 -20.616 2.989 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 3.434 13.800 1.391 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 -1.751 0.535 -5.049 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 -22.625 -23.226 -2.587 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 15.182 -6.113 32.320 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 -1.603 -3.767 3.098 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 -3.427 -10.374 0.038 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 -0.879 3.871 2.797 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 4.335 4.533 -10.570 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 18.207 16.617 -8.708 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 -0.770 6.627 -3.544 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 -6.375 -3.352 6.783 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 -9.698 -12.265 1.229 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 -3.833 14.454 15.943 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 -2.500 -6.796 -1.002 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 -7.196 -11.826 -5.668 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 1.919 -3.282 -0.230 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 3.886 -0.087 -6.599 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 2.787 -13.473 6.709 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 4.862 6.710 6.779 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 1.496 3.910 6.319 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 2.634 14.658 -10.209 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 -0.286 -8.826 25.202 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 2.218 3.860 -1.444 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 9.595 11.785 4.246 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 8.341 -23.806 -4.355 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 0.018 0.756 0.948 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 -7.894 -23.359 5.427 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 -11.178 -1.469 -29.896 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 3.419 -5.160 -3.387 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 5.918 -13.488 -9.439 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 5.026 -8.552 -5.629 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 -1.001 1.554 2.157 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 -0.232 5.938 6.351 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 -10.941 -13.872 -2.129 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 10.750 0.893 0.148 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 4.802 -5.509 -8.057 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 -11.999 -11.328 6.874 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 0.828 5.807 -0.410 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 9.079 -10.036 17.612 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 4.007 -1.427 -17.258 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 -3.264 0.878 -1.419 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 7.720 3.108 0.229 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 -28.023 0.773 -7.617 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 11.203 3.256 2.400 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 -6.222 3.386 8.287 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 -3.891 10.481 -39.534 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 -5.969 1.461 -1.579 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 13.035 0.520 -10.669 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 7.886 19.844 -4.023 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 10.052 -1.768 0.948 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 5.955 -16.945 -17.226 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 12.497 -10.980 -11.294 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 8.392 0.860 2.181 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 21.748 9.248 6.833 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 26.034 18.319 8.722 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 -3.232 1.422 -5.185 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 19.287 -24.995 3.761 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 -10.286 -3.364 -52.044 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 -1.077 2.048 1.762 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 -8.803 -9.023 2.652 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 0.196 15.100 6.989 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 2.555 3.586 0.041 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 -9.581 21.311 -6.618 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 -2.731 0.232 -11.867 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 -2.971 4.256 -1.915 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 7.687 -10.489 -2.365 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 -7.896 3.215 -17.583 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 -5.155 1.442 0.948 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 -7.473 1.954 3.771 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 2.983 17.540 14.687 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 0.769 5.951 -0.347 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 1.967 10.482 2.575 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 7.418 17.879 -1.185 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 2.300 4.156 5.050 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 -19.272 -25.875 26.419 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 3.129 -5.803 12.935 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 -3.450 2.029 -0.451 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 -6.002 -0.210 1.200 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 -6.337 4.804 2.068 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 6.965 1.315 5.695 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 11.585 -6.095 0.508 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 10.300 9.559 -3.241 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 0.698 -8.137 -0.121 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 -21.832 16.774 6.663 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 3.375 -13.662 -3.604 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 9.531 1.624 -5.171 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 14.442 -13.408 8.879 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 -3.934 -2.778 -9.240 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 10.472 -8.102 -1.147 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 13.212 -7.403 -2.397 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 10.177 -6.359 1.269 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 -0.337 4.817 -2.217 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 3.615 24.344 -25.338 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 -5.459 6.090 1.403 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 -0.131 -4.563 3.972 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 -10.809 0.574 -12.485 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 4.804 -6.420 11.601 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 -0.544 2.199 -2.110 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 -0.737 -2.324 -9.778 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 6.980 0.848 -2.905 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 2.975 2.649 4.166 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 -0.623 8.314 29.950 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 4.266 -4.374 -15.885 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 1.632 3.991 0.409 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 4.218 -39.729 -0.273 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 2.533 0.345 0.202 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 -3.525 -5.386 -1.741 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 4.899 -14.602 -0.211 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 -11.008 11.604 -6.577 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 -1.908 -0.738 6.982 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 -0.811 -14.499 9.108 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 3.180 -22.573 -0.755 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 -0.893 3.483 2.896 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 1.651 3.756 1.372 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 -11.298 26.555 1.190 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 -2.225 -0.775 3.969 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 -0.426 5.183 -10.014 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 15.827 -11.445 2.785 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 4.694 -8.767 1.006 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 9.965 -8.976 0.072 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 2.971 -5.346 -3.825 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 -6.557 0.907 3.718 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 -11.760 -11.301 25.115 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 -8.043 -7.604 10.171 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 -1.230 1.845 2.876 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 13.926 -8.072 16.632 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 13.635 24.893 4.307 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 -6.776 6.684 -1.389 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 -0.388 2.984 31.382 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 27.393 -6.963 18.743 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 0.373 -0.801 4.758 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 -2.187 12.446 4.225 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 12.198 1.030 -5.289 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 2.656 1.370 2.588 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 -1.075 -11.547 7.932 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 -0.917 -10.996 0.781 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 6.501 1.680 -0.213 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 -0.868 -0.779 4.305 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 16.988 11.159 -13.460 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 1.221 2.288 -2.223 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 0.412 2.828 4.991 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 -8.512 -36.466 -14.792 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 3.114 -0.119 -1.864 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 7.745 -14.866 -7.895 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 6.915 9.660 -16.451 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 -2.200 -0.642 -7.680 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 4.788 0.354 -4.625 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 -22.363 -0.075 0.463 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 -2.229 -6.022 2.025 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 10.994 -15.239 -4.989 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 -10.688 -8.106 -10.674 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 9.441 -6.284 3.069 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 12.244 -11.268 -2.911 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 -11.603 7.130 24.723 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 0.487 -4.732 -3.096 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 4.346 -6.485 -6.692 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 -3.166 -2.992 -7.834 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 0.427 0.634 -3.756 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 0.045 12.882 -21.210 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 9.536 -11.825 -10.524 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 -0.660 -2.592 -1.667 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 -31.651 13.475 1.902 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 -18.414 -6.966 -5.597 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 -3.566 1.969 1.741 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 3.880 -13.379 14.541 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 -1.146 6.677 -5.836 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 -2.269 1.741 -3.224 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 -1.532 0.999 -5.133 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 8.139 -3.827 -4.876 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 2.309 0.348 -2.046 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 6.611 14.359 -10.196 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 5.279 4.601 -3.278 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 7.537 1.732 7.865 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 -0.669 -3.871 16.961 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 9.516 11.250 6.819 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 -2.974 0.928 -5.758 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 -21.854 -2.960 -3.851 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 0.312 13.750 -16.217 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 2.872 -0.171 3.686 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 7.233 11.292 7.181 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 19.833 -1.977 -16.134 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 -1.547 5.029 -10.213 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 4.601 2.312 13.253 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 -20.735 -6.884 -0.488 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 2.373 -3.704 -6.723 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 -12.612 1.140 -3.164 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 2.396 -6.926 -21.932 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 -0.692 -1.187 2.349 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 -25.327 14.114 9.895 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 26.934 -11.129 -13.500 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 -2.122 7.342 -2.748 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 3.777 -6.356 -13.070 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 -0.849 6.504 0.414 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 0.779 -7.106 -5.747 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 -2.379 -18.484 -7.973 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 2.645 1.716 -5.035 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 -1.903 5.643 1.564 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 -6.010 13.356 14.097 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 -10.017 -12.289 1.960 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 -4.335 0.327 0.959 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 13.741 -8.674 19.946 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 -20.199 10.341 -30.873 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 -1.514 -1.357 8.113 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 -0.525 1.874 3.258 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 -2.954 -4.377 27.171 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 1.759 3.882 -1.553 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 22.271 -18.363 25.428 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 1.558 0.985 -5.006 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 3.241 1.274 -0.365 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 -1.211 2.009 -16.276 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 9.214 13.336 0.932 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 -1.568 5.673 -3.386 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 2.539 10.651 -9.560 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 -14.905 -4.825 -8.253 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 -3.027 -6.353 2.689 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 4.685 -13.200 0.865 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 -16.717 8.329 13.795 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 3.869 5.982 -7.828 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 8.365 0.560 -13.115 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 20.805 -4.963 -16.409 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 7.940 3.616 3.665 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 2.891 8.574 -4.217 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 10.826 -8.916 15.328 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 -10.240 3.479 0.187 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 12.015 -2.504 5.645 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 -6.456 11.962 -20.965 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 2.971 0.268 3.454 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 -12.890 0.055 19.242 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 9.300 -1.723 12.548 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 -1.066 -0.992 -1.318 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 -7.123 -8.237 13.295 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 -9.838 3.262 -11.041 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 -8.442 -6.114 5.823 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 5.268 -2.442 11.115 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 -17.022 -7.653 6.520 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 11.503 -0.932 -5.191 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 4.173 1.881 -15.719 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 10.826 -1.920 -1.948 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 4.640 1.200 3.117 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 4.848 -0.309 -2.832 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 -3.930 7.143 6.981 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 2.651 -3.467 -5.758 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 -1.373 5.978 -12.085 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 7.219 -5.037 -9.722 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 -0.609 1.322 2.813 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 -5.129 -2.606 -7.269 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 17.040 1.294 15.305 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 -7.495 -4.389 1.432 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 7.662 -8.962 3.179 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 -10.139 6.504 -9.198 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 1.559 -9.314 1.741 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 -5.429 -45.205 -14.626 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 4.246 13.344 6.572 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 -2.672 0.005 1.352 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 -2.310 9.167 -11.318 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 -10.993 14.043 -3.898 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 1.833 -1.433 -4.141 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 18.053 -10.314 23.382 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 6.796 -1.590 10.060 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 2.562 -2.347 2.749 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 -3.092 0.712 8.429 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 -40.025 8.752 6.388 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 -0.022 -1.583 -1.693 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 34.948 -0.703 0.772 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 -19.939 -12.869 39.146 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 3.752 0.973 -5.885 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 3.761 29.537 10.664 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 -2.479 -3.304 -13.411 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 -1.734 1.528 -9.830 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 7.823 1.314 -5.070 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 -14.311 -7.779 1.102 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 -1.563 6.687 0.048 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 21.180 -22.301 2.780 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 8.685 2.943 3.245 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 2.438 0.636 1.070 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 35.890 -24.285 -10.223 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 1.882 -13.556 6.943 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 -0.389 6.589 5.578 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 -5.111 10.636 -7.516 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 10.639 -12.820 7.031 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 2.148 3.677 3.343 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 14.481 -18.081 -5.453 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 16.559 28.371 23.213 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 0.536 5.258 -3.180 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 -11.187 -8.771 1.025 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 1.322 19.824 -15.461 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 3.301 -1.229 -3.658 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 1.601 -6.116 -11.145 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 11.288 -4.325 -6.890 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 4.510 -1.087 -4.603 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 5.370 -2.248 -4.201 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 2.162 17.424 -2.216 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 1.954 2.869 0.183 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 -11.669 -0.421 20.144 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 10.860 -0.227 15.322 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 -1.286 -1.867 -1.104 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 5.736 2.599 3.822 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 10.314 -7.417 6.161 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 2.218 -1.300 4.806 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 -5.637 -4.226 1.599 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 11.917 4.673 -0.041 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 -1.267 0.475 6.673 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 -1.079 -9.873 0.136 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 4.474 6.393 10.659 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 -7.748 4.113 7.931 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 -8.321 3.680 8.308 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 -13.753 -11.255 0.041 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 6.012 -8.008 1.823 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 3.972 -0.247 -23.171 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 42.044 6.978 18.754 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 1.201 5.008 6.847 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 -3.040 10.299 20.418 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 4.673 12.247 0.425 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 -0.511 3.670 7.199 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 -1.712 -21.678 14.103 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 15.387 10.260 14.310 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 -3.232 -2.671 -5.156 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 0.219 11.392 -2.073 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 -8.341 -18.520 -6.102 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 -2.578 0.365 7.985 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 -4.605 2.260 9.205 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 5.827 -9.508 2.591 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 2.345 2.065 -0.851 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 -9.948 1.344 -5.366 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 -18.684 -0.253 -3.300 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 3.695 -2.792 1.633 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 2.463 4.574 2.279 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 9.550 -3.975 4.966 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 -0.504 4.035 -1.470 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 -4.967 9.051 0.600 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 2.986 -0.031 -3.935 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 -2.917 -5.723 -0.732 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 -6.672 3.805 8.364 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 1.286 -4.177 0.478 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 -1.903 -1.780 1.734 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 -8.746 -11.913 10.052 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 -4.873 -15.382 -11.809 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 6.788 -3.206 -2.676 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 -12.566 -6.319 -14.995 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 7.905 -4.253 -1.561 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 0.786 -4.599 -1.322 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 9.226 -2.714 10.576 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 -4.581 -0.443 -6.034 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 2.146 -2.402 7.837 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 -21.619 2.885 -17.705 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 -3.429 -2.605 15.704 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 -6.998 9.465 2.593 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 -8.133 10.493 2.597 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 4.634 8.869 14.612 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 -0.762 -0.758 2.400 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 44.260 1.170 -5.288 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 1.498 -2.777 24.059 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 0.114 -5.478 3.503 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 -1.254 -17.227 -1.476 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 -6.055 3.149 5.137 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 -2.577 -1.222 5.361 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 -6.870 -1.773 -23.560 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 -19.896 -24.225 14.442 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 -2.089 1.079 0.313 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 -6.075 -4.477 -2.682 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 1.119 -2.038 1.018 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 3.452 -6.344 8.309 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 -6.697 -15.959 -7.785 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 9.199 -7.949 24.019 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 -1.043 0.304 1.705 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 -1.143 -14.663 7.381 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 17.964 8.677 2.493 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 3.006 3.678 0.904 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 3.734 6.229 -7.338 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 -3.818 -1.165 0.240 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 -1.518 5.115 -0.195 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 28.541 -0.812 -12.229 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 -0.947 11.890 5.065 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 3.557 7.640 3.975 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 3.528 -0.495 3.201 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 9.375 16.557 11.251 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 2.246 -1.210 -4.587 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 12.952 -15.727 16.547 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 -0.160 25.933 1.320 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 -0.707 0.407 3.816 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 7.529 9.256 15.820 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 -13.253 24.516 10.382 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 10.024 -4.114 -2.084 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 -0.028 -10.442 6.567 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 3.458 -2.153 -8.219 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 -8.330 1.671 -6.299 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 12.897 14.496 13.463 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 4.048 26.195 7.260 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 4.268 -0.213 1.691 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 -15.185 11.062 -1.643 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 -3.852 -5.283 -2.428 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 -3.110 1.495 3.160 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 7.774 12.120 -2.055 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 -22.980 18.966 -7.940 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 -3.571 -7.485 -3.407 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 0.596 -18.032 6.891 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 9.104 -13.327 11.353 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 -1.658 3.060 7.877 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 -1.946 -1.015 -3.891 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 11.519 -5.785 19.042 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 -2.139 -0.178 1.055 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 2.154 6.146 3.325 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 4.239 9.232 2.678 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 -3.660 -0.949 1.858 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 19.691 -9.876 -14.605 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 17.954 22.168 22.533 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 -1.096 1.229 6.908 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 -3.387 22.365 21.759 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 -21.315 20.224 -15.125 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 -4.228 5.007 2.875 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 5.408 8.205 -5.208 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 11.135 -6.076 -4.898 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 2.150 1.645 -1.284 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 -8.046 1.482 -2.259 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 16.487 19.546 -8.342 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 2.074 3.229 -4.829 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 -8.024 3.431 -8.242 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 -5.539 12.266 -16.090 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 2.466 -9.007 2.199 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 9.225 4.053 -1.313 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 17.368 -20.396 18.721 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 -4.179 -2.167 3.150 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 -10.903 15.660 -14.688 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 -1.855 15.472 -16.652 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 -4.021 4.136 0.965 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 -7.740 -24.025 -5.507 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 26.610 7.289 -7.026 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 1.945 -7.470 0.765 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 -10.782 -5.992 2.777 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 -10.137 -0.664 -2.085 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 6.660 0.603 -2.502 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 14.427 -23.062 -13.539 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 12.939 -4.494 -5.182 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 -0.175 -3.425 0.487 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 -5.081 4.044 0.658 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 9.089 -13.811 -8.103 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 -3.075 -0.223 -0.421 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 -9.357 3.357 18.968 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 -22.908 -11.138 21.742 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 1.611 4.631 7.286 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 -19.388 2.805 -0.118 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 15.170 -1.822 -8.112 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 -5.481 -11.118 -7.328 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 -15.560 13.836 -4.411 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 -19.315 12.340 -4.607 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 -3.602 1.964 2.095 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 19.941 34.681 7.541 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 24.677 -7.752 4.695 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 -4.704 -0.489 4.735 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 -0.682 3.389 -3.121 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 -1.952 20.368 16.699 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 -1.946 4.352 0.634 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 2.670 -10.301 -0.903 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 7.449 -18.425 -18.033 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 1.245 -0.315 -1.167 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 4.138 1.361 -7.269 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 -3.426 -2.671 0.869 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 -2.944 3.062 5.482 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 -10.672 -1.361 -4.736 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 -8.251 12.926 4.079 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 -3.103 0.873 -7.394 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 3.288 6.816 -8.267 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 -8.570 -6.149 -2.379 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 4.365 6.565 -3.181 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 4.429 5.786 -3.080 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 2.791 -6.478 -11.446 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 0.949 7.330 -2.797 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 1.680 6.316 -2.418 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 8.421 -7.917 2.843 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 -1.639 -1.030 2.779 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 -3.341 6.893 15.996 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 -12.234 5.437 -8.803 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 -0.300 -2.041 5.028 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 29.469 -0.655 15.793 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 7.221 -0.591 -7.989 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 2.473 0.619 3.802 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 5.703 -4.016 11.968 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 10.707 6.612 -1.989 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 1.648 -1.939 -1.717 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 8.522 1.034 -19.555 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 9.049 -21.753 2.375 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 -3.495 3.419 0.496 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 -13.527 -7.108 -4.932 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 16.456 -8.443 3.986 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 1.116 0.194 5.349 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 -26.178 -4.034 2.290 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 -16.706 1.653 19.110 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 -7.036 8.216 4.599 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 -5.353 -14.642 -10.424 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 11.691 37.463 4.350 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 -2.190 0.270 0.671 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 31.327 -5.910 15.643 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 29.685 -12.607 19.527 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 4.928 -0.861 7.578 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 3.479 -5.299 19.469 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 -12.724 5.855 4.073 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 1.796 -1.710 5.328 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 5.186 20.311 10.812 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 2.315 -2.439 -4.528 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 5.685 -3.419 -7.076 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 5.230 -2.588 -3.778 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 5.959 -11.530 3.882 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 3.743 -7.622 4.997 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 -6.165 -6.361 3.187 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 -22.302 7.897 8.474 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 4.464 -2.295 2.136 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 0.785 1.707 -0.837 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 1.982 -4.409 -0.613 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 -4.728 -4.178 7.265 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 -10.578 -23.119 15.568 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 0.207 20.886 -6.692 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 0.896 0.501 -6.521 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 -10.049 14.463 8.387 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 15.840 0.049 -8.444 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 -1.868 1.216 -2.514 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 -0.770 -18.105 0.328 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 5.757 -15.831 -0.403 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 1.044 -6.230 0.830 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 -4.636 -20.180 3.634 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 6.626 7.717 2.479 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 5.623 2.448 7.864 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 -0.556 -1.263 6.119 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 16.250 12.112 3.907 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 3.161 6.411 0.978 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 -0.994 1.049 7.708 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 10.095 10.446 5.834 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 -6.988 0.090 4.139 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 6.316 11.697 -16.420 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 3.564 -37.513 -22.132 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 2.905 -3.799 -4.831 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 -3.098 -10.132 -14.155 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 -11.432 14.819 -14.116 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 1.498 -5.109 2.155 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 -0.930 6.836 12.964 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 -16.468 -6.002 3.608 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 -1.247 4.249 2.121 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 1.307 11.725 19.388 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 -14.106 7.473 -0.688 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 -2.839 -7.988 0.783 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 15.604 -16.672 -13.873 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 -0.850 -18.848 23.527 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 9.032 3.733 3.874 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 35.494 12.471 -0.600 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 -1.050 10.015 -26.313 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 2.285 2.364 1.808 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 3.909 5.013 -8.215 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 -2.613 10.416 28.886 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 -2.714 4.042 -1.189 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 -24.230 -10.546 -10.013 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 -2.693 -7.796 11.101 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 6.953 6.719 3.403 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 13.241 8.767 7.864 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 2.037 8.859 8.321 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 4.818 3.330 1.509 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 -8.679 10.746 16.356 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 6.139 -17.322 21.859 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 -7.007 -5.917 -0.663 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 -7.878 0.420 -16.830 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 -6.903 -27.327 46.475 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 9.888 -4.673 4.818 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 0.309 -8.942 5.959 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 22.148 13.156 -10.740 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 0.253 7.353 4.204 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 -9.156 34.234 20.268 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 -10.938 -52.785 3.197 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 2.716 10.748 1.459 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 6.986 9.272 4.686 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 -10.105 13.916 -4.834 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 4.929 -7.652 -2.342 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 7.618 23.394 4.741 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 -2.918 -18.902 -2.250 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 -5.661 1.687 -1.890 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 -20.848 -3.605 -5.684 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 -14.772 -22.680 2.060 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 1.498 1.495 3.143 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 -2.015 12.020 4.469 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 5.558 4.039 7.105 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 -1.470 -1.288 3.212 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 12.394 33.670 8.100 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 6.390 13.271 5.244 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 -2.408 -0.262 -3.809 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 -7.045 -7.504 9.460 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 19.767 -16.118 15.479 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 -5.835 -5.248 2.598 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 -1.986 -19.684 10.786 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 -8.782 15.027 -11.542 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 -1.339 -2.067 11.151 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 4.582 -13.268 20.474 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 -0.439 11.290 -3.992 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 4.093 -1.656 2.486 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 -13.978 17.306 -3.184 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 4.588 0.980 1.729 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 -2.421 -1.470 -3.198 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 0.121 -8.504 9.219 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 -12.546 4.177 -11.531 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 1.342 2.585 -9.149 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 -9.599 4.887 -4.954 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 5.798 -1.703 -7.586 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 -5.919 -0.217 3.725 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 -4.050 -4.391 23.857 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 -0.199 -6.332 -12.604 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 -6.240 -0.519 -2.892 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 -10.086 1.418 1.176 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 -12.737 -7.726 -1.336 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 3.158 2.730 1.879 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 20.785 -18.025 8.126 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 8.222 8.101 -1.012 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 0.447 4.300 2.792 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 0.995 0.145 11.957 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 -8.919 0.719 -0.976 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 -0.152 -0.186 -5.855 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 -3.696 9.493 -5.738 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 -33.623 -0.426 -10.422 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 7.947 -7.977 -12.575 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 16.528 -8.158 3.031 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 16.499 -12.559 -10.865 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 10.141 -11.657 4.737 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 9.814 0.759 -1.610 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 11.686 -16.718 7.947 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 5.545 2.226 3.156 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 1.962 -7.191 -13.210 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 19.243 -5.611 -11.044 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 4.197 4.001 -4.133 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 9.944 22.972 3.558 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 5.312 -17.934 11.868 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 0.312 2.472 2.928 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 -5.877 8.881 12.252 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 -8.823 9.184 9.655 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 -4.251 1.085 1.814 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 3.706 3.942 15.762 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 -13.393 -2.318 -3.395 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 -1.692 8.411 -0.848 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 -11.346 5.301 24.194 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 8.564 -16.171 -6.156 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 2.441 -3.801 3.617 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 -14.201 -18.129 -5.933 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 29.138 -18.359 15.207 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 -7.871 -6.180 -1.216 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 -17.547 3.282 -4.438 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 3.471 11.968 -15.635 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 -2.751 -2.210 1.141 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 -6.380 -30.781 9.397 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 -23.664 -4.249 3.865 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 2.454 7.484 0.813 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 1.625 26.293 6.344 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 9.013 -8.242 1.596 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 0.081 -2.333 3.578 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 -10.427 -9.611 10.096 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 -32.860 -14.647 0.952 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 0.704 8.065 1.885 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 -11.375 -13.353 -35.126 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 -2.794 -9.236 -5.661 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 -3.119 2.318 0.513 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 5.109 -7.670 5.814 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 -18.594 -44.804 4.872 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 -4.694 -3.549 -2.725 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 8.558 -5.223 2.803 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 -11.465 7.201 4.587 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 3.248 1.052 -8.933 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 -8.731 -7.675 3.060 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 -9.323 -0.422 -1.731 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 2.103 3.523 3.504 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 14.106 -11.078 41.813 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 10.719 3.503 28.896 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 5.830 5.067 -4.937 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 -8.267 29.943 -10.276 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 0.721 8.121 6.045 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 1.757 1.847 0.866 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 27.645 -12.216 8.795 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 -43.208 14.779 8.967 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 2.932 5.469 3.294 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 5.152 -1.969 -10.454 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 2.255 14.686 -3.002 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 2.025 -1.195 6.594 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 15.735 -12.307 -5.598 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 -19.445 13.915 -5.443 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 0.205 -9.776 -0.093 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 -12.420 -9.287 -9.280 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 34.085 -7.088 28.803 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 -4.536 -3.644 -4.936 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 8.972 10.366 -8.384 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 -21.690 -7.963 -15.304 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 0.003 4.002 0.293 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 -3.960 2.390 3.767 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 -2.758 6.575 -3.234 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 -4.502 -1.651 -3.888 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 0.734 -7.916 4.478 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 -2.865 24.614 0.577 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 0.299 5.021 -2.242 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 -4.922 4.737 15.028 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 -2.308 3.595 6.007 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 0.396 -5.653 5.175 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 -1.200 -4.728 5.456 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 1.271 -5.718 6.431 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 2.948 -3.953 2.485 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 16.382 -9.465 2.068 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 4.656 9.894 -3.083 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 2.184 3.839 2.026 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 2.847 1.458 -0.936 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 -1.088 5.652 2.789 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 -3.251 -1.374 1.953 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 -20.035 2.452 16.588 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 -3.277 3.726 5.383 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 1.796 4.496 4.918 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 -4.637 -0.774 0.088 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 11.557 -0.621 8.019 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 0.152 -3.656 -1.787 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 -2.205 24.093 11.842 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 -5.959 19.663 6.929 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 -1.021 -1.891 -0.205 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 -4.052 30.139 4.419 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 -1.780 2.113 0.001 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 5.942 1.753 -1.244 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 -10.927 -2.228 7.344 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 -2.108 -0.067 3.053 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 -1.688 -0.089 -6.497 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 -5.355 -3.936 1.553 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 3.086 13.533 -0.193 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 3.981 -4.335 1.453 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 8.729 -4.726 5.038 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 -31.930 -10.211 -28.174 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 0.921 6.036 -4.977 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 -34.163 3.922 -4.824 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 17.495 -2.151 6.348 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 1.536 5.372 -3.473 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 10.348 3.629 -12.623 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 10.597 13.139 8.226 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 2.656 2.729 1.194 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 35.117 -9.926 11.103 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 3.135 -0.269 9.988 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 -4.311 -0.020 2.644 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 -0.483 -18.316 -0.805 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 -5.490 1.315 0.971 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 -3.058 -4.280 -2.862 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 -4.798 15.613 -13.100 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 16.736 -6.892 -0.995 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 -3.161 -4.490 -5.797 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 0.373 0.708 -9.037 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 -3.106 -6.134 -4.095 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 -0.723 -1.650 2.107 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 -2.233 12.860 -5.563 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 7.780 2.094 5.077 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 0.728 2.038 8.521 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 4.986 15.122 -1.135 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 8.656 8.098 18.430 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 1.574 1.777 0.794 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 -4.380 -10.226 1.308 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 6.637 18.497 -0.173 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 -1.187 -0.324 -1.230 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 -19.377 -7.596 11.866 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 10.441 11.970 16.060 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 -4.096 5.928 0.668 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 4.176 -14.021 -3.618 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 -15.221 6.675 -9.066 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 3.464 -1.271 -7.197 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 0.077 -3.292 -5.815 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 2.184 -0.002 -9.414 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 -0.108 -2.637 -5.926 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 6.945 -20.708 10.948 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 5.456 17.747 -4.367 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 0.242 1.563 4.112 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 -7.287 6.130 -25.578 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 0.940 -10.610 24.109 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 3.479 -2.182 0.337 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 16.105 -3.238 -4.949 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 -21.986 -0.396 -12.944 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 1.608 -9.245 0.491 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 11.596 -22.754 0.798 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 -17.472 17.541 -6.199 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 3.858 -4.868 -1.600 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 9.105 -20.736 -25.881 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 -10.245 7.527 8.032 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 -2.944 -1.765 -3.539 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 -9.348 -10.355 -10.022 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 -6.155 -6.894 6.262 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 1.266 -1.264 -1.846 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 3.438 -6.874 4.741 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 17.961 -8.781 4.963 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 1.658 -3.678 1.454 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 -2.735 -6.741 6.193 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 -7.824 3.160 2.308 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 -3.488 -0.916 -2.037 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 18.299 -0.166 3.459 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 -18.782 -11.158 27.796 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 -0.074 2.721 -0.655 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 4.759 12.459 -22.834 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 -24.894 -9.162 -6.778 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 -9.492 -0.162 4.642 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 -7.596 5.091 2.075 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 -6.338 3.778 1.282 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 -5.766 -4.534 -1.985 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 -21.691 -12.598 -10.657 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 -2.087 -9.869 -1.320 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 -2.158 2.516 3.582 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 -2.638 -17.156 -17.122 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 -17.262 2.701 3.638 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 -0.523 0.170 -5.683 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 -7.723 16.564 8.861 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 -6.091 13.096 5.368 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 3.524 -2.143 -5.631 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 7.326 6.083 -10.284 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 -6.509 2.885 -3.701 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 -1.967 2.854 -1.434 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 28.254 17.365 -4.355 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 -3.308 4.891 -2.810 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 4.610 -1.936 -2.817 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 -3.732 33.062 6.671 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 -3.165 -11.436 -10.336 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 -1.208 -7.541 -3.948 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 9.897 -3.706 -16.846 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 -3.324 -17.517 -35.148 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 -1.899 -4.906 -2.468 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 -11.784 -6.412 -2.764 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 -11.151 1.725 -1.498 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 0.081 7.370 -5.762 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 -8.842 -8.095 -30.516 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 -12.887 -19.929 -3.025 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 -2.108 3.098 -2.883 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 -25.238 6.793 -23.755 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 -7.187 3.241 0.075 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 4.189 -6.258 -2.711 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 6.714 -0.922 -9.294 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 4.948 -4.898 -4.706 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 7.843 1.617 1.481 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 0.214 -14.413 -7.087 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 -2.398 -14.827 -5.615 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 -3.934 -0.144 -5.642 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 0.139 -1.174 -8.459 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 -6.231 5.661 -8.641 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 -10.451 2.768 -0.925 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 -7.888 5.625 -1.556 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 -2.112 -30.894 0.448 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 -2.784 -2.890 0.101 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 13.261 26.831 8.832 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 -3.371 9.368 -8.247 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 4.686 6.860 0.673 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 6.678 -1.512 -0.428 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 5.528 9.494 1.039 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 -0.330 7.850 0.372 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 -3.604 9.225 29.657 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 30.595 -13.588 14.619 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 -2.126 1.429 -4.610 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 2.867 3.792 6.612 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 0.481 10.380 -11.597 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 2.529 2.331 -2.588 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 -10.534 14.237 -4.197 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 -4.636 -9.964 2.548 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 -4.943 1.206 1.611 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 -2.047 26.800 -14.363 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 -0.597 6.284 -21.818 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 -6.765 3.358 -7.042 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 -6.116 7.837 -19.451 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 -1.091 -10.026 -5.628 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 3.054 1.953 -2.100 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 15.406 -12.360 -8.803 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 -22.871 -5.983 18.566 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 4.564 -0.127 4.846 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 -2.474 -7.069 4.476 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 11.746 -4.398 10.230 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 6.178 4.792 -3.818 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 6.774 -10.565 -3.933 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 6.992 0.025 2.694 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 -11.938 -1.452 8.740 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 1.130 -6.354 15.955 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 3.127 9.676 0.159 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 -2.815 1.583 0.364 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 -9.225 -3.993 6.063 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 -25.078 -23.922 25.520 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 -2.187 -1.601 -0.199 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 -3.291 -2.271 -2.563 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 -7.524 -12.308 -4.818 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 -1.314 -6.268 1.292 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 -19.307 -13.811 8.868 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 -0.647 -4.777 0.202 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 -2.167 6.727 -1.966 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 0.506 23.469 -22.383 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 14.966 -2.284 7.442 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 -4.162 5.421 -0.648 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 0.839 12.307 3.646 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 4.608 13.492 3.541 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 3.545 -3.285 -0.141 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 -2.076 -6.010 -2.508 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 21.004 0.029 6.821 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 0.960 4.419 0.052 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 9.492 28.313 15.585 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 10.588 -16.766 11.986 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 0.544 1.266 -5.678 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 -13.550 -6.380 13.171 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 -10.650 11.093 -16.118 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 -1.566 6.782 3.638 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 13.293 -10.153 -28.475 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 -14.160 12.008 6.331 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 -1.158 3.225 1.441 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 -2.476 9.467 5.729 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 -4.752 -2.077 -0.757 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 2.805 6.969 -3.618 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 1.616 7.208 16.027 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 14.937 2.058 -14.896 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 -0.721 1.749 -2.745 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 -0.441 7.737 8.573 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 15.842 6.828 1.226 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 4.013 4.015 -3.671 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 3.062 -1.755 -18.429 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 3.738 12.789 25.198 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 -2.495 -4.655 -4.634 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 7.772 -6.334 9.178 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 6.189 -3.181 11.054 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 1.890 -5.249 -1.272 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 14.143 -0.364 -2.342 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 -43.594 -19.703 6.622 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 -0.600 3.027 -8.974 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 -6.918 5.754 -8.993 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 -1.958 2.523 -7.824 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 -3.010 -3.802 1.247 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 15.976 -9.029 13.886 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 27.468 -12.379 12.993 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 4.075 0.331 2.245 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 -1.692 0.291 7.782 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 -19.736 3.959 5.921 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 -5.890 2.190 0.660 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 17.916 1.625 0.195 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 -2.939 -16.946 4.514 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 -0.307 -5.157 -5.760 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 5.305 -6.314 -4.650 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 -7.318 -0.315 2.935 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 -1.941 -0.612 -2.788 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 -14.369 5.803 3.659 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 34.363 3.404 -4.811 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 0.794 2.940 -3.022 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 0.953 9.539 -5.162 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 3.202 28.373 -11.553 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 -4.377 -7.762 -0.069 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 -6.148 3.382 -13.596 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 -26.271 11.925 8.810 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 3.097 -6.911 4.274 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 4.777 -18.127 15.383 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 4.438 -9.572 1.750 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 2.414 4.233 0.091 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 7.021 -11.206 -11.617 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 7.032 12.841 -11.840 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 -6.394 1.604 -0.707 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 9.583 -5.557 4.799 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 1.762 -7.499 -5.002 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 -4.197 -4.810 2.670 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 -1.190 2.521 5.659 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 11.750 -3.375 -14.617 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 -5.030 9.259 -1.348 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 -1.338 13.267 -9.088 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 -10.838 -2.107 4.144 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 -3.196 1.181 -1.953 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 1.231 9.326 13.060 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 -4.896 8.573 -12.721 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 -5.297 0.591 -1.979 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 9.230 -19.835 33.237 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 -0.985 3.029 21.960 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 -4.190 -2.207 6.628 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 -34.954 22.078 0.704 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 25.567 -5.512 -8.462 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 1.767 1.268 0.855 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 -17.017 1.020 -10.639 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 -14.452 -25.901 22.031 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 2.973 3.478 -1.252 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 6.978 -11.261 -8.158 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 -16.103 -7.262 -11.123 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 2.085 -2.788 2.521 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 -4.985 -10.446 13.784 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 -3.337 -15.713 12.319 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 -5.059 -5.747 -3.955 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 8.689 -2.209 11.555 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 -0.672 15.519 -18.368 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 0.815 8.333 2.203 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 4.972 -1.327 -16.026 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 -16.525 5.865 11.510 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 4.538 0.604 5.856 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 8.393 -3.622 3.766 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 12.172 -12.393 -9.938 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 6.443 4.139 -3.748 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 -14.279 9.961 4.717 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 15.775 -16.231 15.488 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 1.641 3.858 -1.808 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 5.691 8.483 -10.160 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 4.600 0.127 18.300 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 -2.839 -1.654 -4.258 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 -4.320 8.250 -3.719 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 1.870 5.764 1.880 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 4.308 -3.014 -7.925 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 0.335 -1.914 -17.375 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 -2.516 -7.168 -4.952 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 1.078 -4.416 0.417 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 -1.891 -23.814 -10.588 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 -0.852 14.135 -0.399 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 -1.357 -4.358 5.110 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 -14.760 -11.882 25.371 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 6.743 1.597 9.137 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 -5.404 -5.993 5.990 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 -7.095 5.878 4.645 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 -6.832 -1.275 -16.709 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 0.879 8.438 2.422 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 13.184 1.537 -11.777 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 9.558 26.198 1.918 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 -6.328 0.082 1.345 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 6.148 4.815 -1.444 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 -6.638 -12.623 0.263 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 -2.834 0.063 -8.797 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 -4.389 3.200 -24.074 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 6.532 -9.592 -4.477 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 -0.658 -4.162 5.125 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 6.555 0.180 -3.287 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 -7.293 -0.620 1.127 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 1.614 -11.200 0.175 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 -2.894 -32.302 -25.842 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 -25.333 2.717 0.187 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 -1.224 -0.530 -0.164 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 2.653 -1.441 -0.023 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 -12.052 -10.036 -7.745 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 -2.961 -4.509 1.702 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 -2.831 16.090 -3.380 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 7.064 -14.364 -16.873 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 2.243 2.861 -3.056 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 13.953 -12.357 -6.400 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 11.688 14.153 5.057 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 -2.110 7.017 2.321 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 -0.146 -21.799 -0.062 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 6.779 28.218 2.434 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 -1.503 7.083 4.274 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 5.405 31.614 -14.246 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 26.266 -0.078 18.600 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 2.301 0.256 -6.520 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 2.330 -6.956 -12.767 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 -9.045 33.016 -27.591 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 1.716 2.100 3.851 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 19.613 -13.524 9.624 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 -20.619 -13.196 -0.549 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 1.211 -3.417 -3.261 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 1.182 -3.548 -12.858 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 -7.322 10.141 7.569 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 -5.711 2.811 -1.144 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 -16.571 3.726 7.751 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 1.541 -21.046 -2.940 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 -3.014 2.160 1.729 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 -18.517 2.777 -10.763 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 -22.195 -4.406 18.383 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 1.670 0.356 -0.196 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 -6.146 -4.398 -15.951 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 -4.465 -5.394 -0.220 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 -3.253 -5.420 5.997 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 9.761 -3.551 -4.958 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 -11.984 11.110 6.167 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 -2.823 -4.541 -5.386 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 -12.044 -0.793 -17.489 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 1.378 -7.993 -3.361 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 -3.097 -3.124 -1.504 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 -5.452 -4.135 -2.467 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 -25.303 -19.911 4.333 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 -2.311 -1.619 6.595 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 -14.977 2.973 -1.603 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 -10.245 3.535 8.771 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 8.434 5.119 -0.646 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 6.902 5.493 -2.328 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 -10.899 -1.930 -10.734 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 -3.215 5.477 2.747 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 -6.469 11.175 9.914 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 -14.731 2.665 0.091 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 -0.675 -1.687 0.494 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 -1.404 -6.087 8.337 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 10.757 -10.099 -18.068 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 3.705 -1.481 1.038 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 -6.404 15.279 -2.662 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 14.361 -16.481 3.452 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 -5.118 1.876 -1.053 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 -12.673 16.148 -5.944 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 8.916 4.437 -9.965 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 0.339 -2.543 6.367 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 -16.709 37.641 17.427 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 1.395 24.955 25.938 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 4.740 -0.934 -0.233 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 -1.333 0.581 9.922 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 17.590 -1.615 -18.254 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 -4.355 -0.315 2.908 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 -1.393 -6.951 -8.007 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 8.171 -2.387 12.081 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 5.143 3.945 -1.920 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 -8.660 3.088 5.027 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 -7.097 -0.775 -0.249 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 -5.831 -5.650 1.524 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 -8.708 -8.401 -3.405 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 -3.927 -7.570 -10.869 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 3.124 3.042 2.990 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 10.212 -7.274 -4.802 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 3.130 13.310 -4.912 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 -4.680 1.450 9.148 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 -1.632 -8.227 18.184 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 -2.669 14.911 -2.055 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 -0.616 1.381 1.093 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 13.144 2.438 11.230 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 -10.403 -11.454 7.515 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 -2.866 -2.427 -0.076 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 -14.187 -5.232 -11.352 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 3.776 5.345 21.258 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 2.313 -5.610 -0.842 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 25.303 -6.633 -14.104 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 -10.315 -9.263 20.117 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 3.580 -2.039 -4.600 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 16.457 1.524 -15.771 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 10.774 8.420 -3.659 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 1.635 -7.853 -8.208 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 12.838 -6.204 -10.795 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 4.444 4.585 4.082 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 5.094 4.265 -1.941 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 4.670 -11.014 -15.712 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 5.378 10.809 -3.685 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 -3.057 -9.448 1.438 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 5.928 5.354 -19.411 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 -8.684 5.128 7.678 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 -1.840 -6.499 1.617 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 5.190 4.181 -10.762 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 -24.427 -11.596 3.809 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 -6.321 1.814 -2.598 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 -9.064 -9.321 1.178 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 -19.609 -35.705 8.608 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 -0.374 -2.747 0.429 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 37.849 -5.770 -17.046 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 -18.492 -10.257 10.465 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 -2.404 3.726 9.094 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 15.382 1.074 -5.693 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 19.335 -8.015 -9.497 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 -1.347 -5.079 2.518 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 -2.929 -1.926 10.731 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 16.495 -12.696 3.686 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 6.232 5.529 -3.166 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 0.297 3.699 -19.626 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 -31.903 -25.165 -28.819 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 -6.591 5.525 -1.304 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 5.943 -1.416 -14.868 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 -7.398 11.671 -1.647 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 1.826 3.460 -4.248 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 23.017 10.171 -11.827 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 4.163 -21.442 10.890 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 3.352 2.583 -0.330 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 0.694 -30.408 -6.366 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 -11.331 -9.293 3.971 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 -4.692 -2.541 -7.594 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 -5.845 -4.553 -12.260 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 -0.643 -1.253 -7.223 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 5.427 -1.314 2.697 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 14.116 10.963 10.757 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 14.686 -6.775 -8.785 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 3.622 -1.410 3.815 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 -30.792 2.869 13.627 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 16.160 -19.432 28.316 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 2.480 3.749 -4.304 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 -7.257 5.160 4.351 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 6.011 -2.744 -7.423 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 6.166 -8.231 -8.021 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 23.297 -19.234 -15.720 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 -2.830 -1.390 -14.722 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 0.684 1.294 -7.175 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 6.513 1.423 -15.589 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 -8.938 -2.505 -9.635 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 0.617 2.431 4.423 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 6.391 8.265 3.207 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 4.712 -10.228 7.808 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 -5.442 0.762 4.195 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 -3.477 1.256 3.002 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 -2.802 2.547 2.862 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 1.645 -2.618 -4.675 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 37.369 -1.359 -5.619 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 0.104 -2.319 -4.264 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 1.928 -2.052 0.651 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 4.106 -2.849 4.938 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 -1.870 12.102 7.131 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 -6.751 -1.182 -4.082 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 -18.671 -18.209 21.383 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 -31.909 3.400 -0.198 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 -3.608 2.080 4.352 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 -8.862 -13.672 21.253 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 -2.901 2.644 -10.376 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 -0.886 -1.065 -3.973 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 -10.796 -4.081 -2.610 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 -15.620 -7.289 -6.309 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 -4.428 0.511 0.435 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 -40.391 18.652 8.541 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 10.390 -3.233 -9.161 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 2.545 -1.450 5.860 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 4.990 -4.820 5.677 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 7.976 -3.593 24.299 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 1.402 -5.345 -0.681 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 -8.010 6.609 13.605 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 40.754 3.887 4.125 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 3.638 -2.121 -2.967 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 5.173 3.450 -12.971 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 3.101 -5.039 6.840 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 -1.115 0.656 -0.252 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 0.055 4.216 2.900 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 -0.626 -2.951 1.962 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 0.302 -4.667 -5.376 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 -2.747 2.055 -3.773 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 -2.314 -9.590 0.053 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 -7.107 2.446 -3.498 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 5.142 6.187 -11.881 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 -10.156 9.610 8.891 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 -3.469 -2.397 1.792 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 -14.413 -2.700 -9.099 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 11.968 26.536 -0.564 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 -2.411 3.342 1.572 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 -10.094 7.993 -5.943 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 14.510 -44.901 -20.621 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 3.843 -6.649 1.125 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 12.770 -3.316 -11.143 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 6.879 -5.078 6.315 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 0.364 0.586 -0.810 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 -14.519 10.953 -1.968 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 0.622 -10.039 -5.910 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 8.798 0.861 -2.833 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 38.460 -21.761 12.961 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 26.746 -13.886 7.049 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 -1.383 -7.676 -3.493 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 4.305 -24.042 -1.737 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 -14.497 20.307 -1.978 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 2.241 5.051 -5.353 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 9.552 15.794 3.988 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 -10.952 -6.493 -29.305 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 -3.355 -2.667 -3.837 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 -4.350 3.161 3.907 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 -27.580 12.870 -16.068 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 4.224 -1.598 -1.664 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 -7.767 2.933 -1.512 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 17.086 -8.172 8.299 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 -1.506 1.849 5.967 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 12.939 10.400 8.731 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 -7.589 4.018 11.488 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 -4.028 3.935 2.104 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 11.142 -10.257 -0.232 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 -7.270 8.055 -0.088 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 -5.747 -6.372 8.709 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 -4.628 -6.465 3.731 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 -4.422 4.747 12.711 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 6.390 10.649 -5.382 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 -13.880 -0.623 -10.878 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 -12.023 4.344 20.895 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 -1.339 -3.284 4.197 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 -8.689 2.588 10.890 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 -2.445 12.879 -6.283 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 -4.446 -3.907 -1.061 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 -17.560 4.555 5.851 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 15.219 -26.524 -6.971 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 -3.252 -5.944 1.119 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 -2.489 -5.337 9.030 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 2.472 -2.528 -2.098 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 1.651 -1.919 8.049 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 20.395 5.244 21.399 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 14.294 -18.781 0.754 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 6.199 -0.086 1.703 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 9.714 3.527 9.474 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 -5.128 0.267 16.785 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 8.128 -0.382 -1.884 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 8.094 18.388 9.763 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 -4.277 -6.957 -19.110 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 0.059 -7.337 -0.936 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 -2.104 -14.590 -6.894 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 6.027 -2.542 -3.778 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 2.152 1.415 -2.719 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 -4.492 -2.181 -16.601 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 1.928 1.355 -3.251 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 -6.756 -3.777 0.565 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 -15.762 0.633 9.418 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 -18.717 4.258 11.328 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 6.447 5.735 0.746 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 -6.053 13.731 0.127 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 2.638 -3.811 8.489 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 0.689 -4.896 -1.811 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 3.607 -4.738 -0.937 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 -0.798 -2.832 -10.109 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 12.400 2.527 0.859 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 -13.550 -19.520 11.677 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 19.954 2.203 -7.940 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 9.264 2.208 -3.638 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 -28.551 11.188 -2.451 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 8.496 -8.001 10.439 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 3.547 2.256 4.631 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 0.453 12.185 21.560 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 -5.343 -23.231 4.139 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 0.661 -2.603 4.954 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 13.763 9.497 6.983 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 9.600 -6.870 5.971 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 -7.491 -4.801 -2.861 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 -7.564 -6.392 -12.809 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 6.919 5.630 -4.396 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 0.671 -3.013 -1.949 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 -3.941 2.305 12.311 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 2.081 -4.586 -7.687 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 1.533 4.187 0.650 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 -3.275 -11.456 -10.844 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 -21.105 8.728 13.888 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 -3.016 1.522 -1.428 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 8.822 34.154 18.507 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 10.780 -7.160 -6.431 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 1.401 3.985 -2.420 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 -4.739 3.757 6.725 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 0.763 10.313 -11.289 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 1.190 4.143 -0.592 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 23.022 14.066 -3.141 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 6.789 8.230 -25.773 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 1.944 1.061 -0.447 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 -6.673 8.157 -2.759 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 20.841 -20.776 22.191 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 1.314 -3.010 0.798 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 5.338 3.874 -2.562 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 16.518 21.763 -11.274 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 6.035 -10.840 -6.822 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 24.335 -5.161 -11.247 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 5.777 -19.827 9.202 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 6.866 3.244 3.173 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 9.832 -15.470 20.939 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 -12.484 -22.863 4.211 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 0.409 1.739 1.322 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 4.409 3.447 0.970 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 -2.687 5.003 7.931 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 1.876 -2.518 2.826 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 10.300 20.591 11.181 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 3.394 3.463 8.260 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 3.316 2.156 -1.360 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 0.242 0.091 7.711 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 0.295 8.594 4.082 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 -0.370 -5.660 4.373 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 -7.770 -23.814 6.272 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 -20.986 -13.660 6.138 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 -5.521 4.307 -0.327 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 -6.717 -1.299 -1.739 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 -9.745 1.012 -14.911 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 -3.869 -1.968 6.092 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 -21.474 1.213 27.696 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 8.189 -4.466 -9.360 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 1.233 -1.827 -1.485 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 8.307 -7.628 11.084 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 11.075 5.581 -11.462 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 -6.089 -1.622 4.202 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 -14.902 4.689 18.083 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 -3.092 -5.191 -3.528 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 -1.462 5.628 -0.796 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 -14.590 11.549 -6.388 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 -9.484 7.055 -5.701 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 4.012 -0.138 1.770 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 18.138 9.942 -11.240 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 -4.334 -12.588 -5.429 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 6.476 2.800 -3.794 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 10.018 15.198 -37.764 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 -30.371 9.027 5.013 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 -8.077 -5.910 1.188 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 -5.021 4.884 -13.738 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 16.589 -10.657 -4.661 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 -0.304 3.377 -5.301 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 -5.789 -3.804 -24.474 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 0.515 8.801 0.064 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 8.837 2.565 -1.858 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 15.292 -1.843 4.221 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 12.152 0.426 3.196 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 3.177 -4.941 6.118 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 -1.998 -5.883 10.501 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 -26.183 -21.768 -5.799 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 -5.324 -1.335 -0.348 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 1.832 6.450 -0.421 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 -15.761 -11.652 -8.531 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 4.434 -5.379 4.240 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 5.065 -4.462 6.223 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 -32.633 -9.553 -6.812 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 3.744 -0.651 -10.561 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 17.637 -8.367 6.711 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 -1.505 -11.720 -14.084 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 3.357 -1.531 -3.747 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 4.067 -13.973 -7.352 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 -1.781 -7.747 -7.527 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 1.002 10.725 0.202 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 -10.825 3.822 1.931 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 -20.036 6.982 7.685 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 -0.410 0.910 1.019 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 -1.527 -0.333 4.624 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 7.644 -6.852 18.317 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 6.374 1.765 -3.695 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 4.665 15.516 -20.622 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 -4.552 -8.469 1.751 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 6.645 2.683 -9.419 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 23.277 7.402 -28.562 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 -14.632 -0.292 -16.268 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 -0.890 -0.510 4.226 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 8.986 -0.044 -13.963 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 13.064 8.709 -1.721 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 -1.945 -6.693 1.910 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 -2.467 -8.275 16.302 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 -34.286 9.772 -5.890 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 2.055 4.175 0.292 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 9.933 5.228 4.514 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 -8.398 -0.511 -4.139 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 2.742 -1.911 5.559 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 0.095 -6.287 11.355 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 7.887 6.851 -6.465 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 -1.039 -1.212 6.449 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 6.414 -3.032 -1.056 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 -11.133 1.782 6.937 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 -6.401 4.937 2.556 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 -9.039 0.614 5.819 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 -5.066 7.903 4.046 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 -3.681 -1.397 -5.081 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 6.712 -5.624 -7.095 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 -10.270 6.317 -20.672 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 -0.253 -2.920 -1.835 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 1.817 -1.549 -4.625 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 16.419 20.342 19.152 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 1.862 4.858 -9.201 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 12.943 -0.296 -10.895 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 10.751 12.466 14.000 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 -5.186 3.056 0.959 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 1.132 9.928 -5.154 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 -5.602 5.200 3.525 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 1.740 -3.845 5.360 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 11.425 -10.631 9.632 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 4.646 10.623 6.911 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 0.726 4.192 0.393 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 -10.276 11.409 1.210 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 -3.810 -19.296 -0.653 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 4.353 2.183 3.307 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 10.614 -0.725 7.212 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 -0.042 -2.442 5.714 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 -0.722 -3.084 -1.339 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 0.967 -9.930 -7.089 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 30.636 -4.255 12.138 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 0.404 6.387 -2.237 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 16.371 2.771 33.586 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 -35.923 5.963 16.429 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 -4.294 -2.785 -1.434 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 -40.375 -10.462 37.483 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 13.008 1.685 -19.552 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 -6.346 3.359 -0.152 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 -10.926 30.907 -0.870 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 -7.400 -10.027 2.330 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 -0.169 2.711 0.678 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 5.181 20.532 9.983 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 -15.780 -3.628 -6.255 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 -1.511 -1.932 8.194 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 -6.945 -7.986 20.079 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 2.524 17.917 -16.021 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 -5.364 -0.899 -2.215 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 -28.071 -3.650 -6.200 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 -2.242 6.523 -4.551 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 8.704 -2.017 2.583 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 -8.012 -4.469 -14.520 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 6.536 -1.770 -3.244 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 -6.837 1.859 -1.440 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 12.200 -10.145 11.684 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 -14.197 8.895 -1.967 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 1.081 2.533 1.087 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 0.930 0.009 3.460 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 10.234 -7.182 1.551 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 -1.840 1.321 -3.288 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 1.363 6.080 0.609 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 -25.235 15.870 20.174 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 4.897 -4.309 2.814 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 -0.189 -20.712 -3.307 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 -8.894 -1.384 2.773 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 -7.724 -0.467 7.984 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 7.349 -9.456 10.576 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 -13.305 -11.783 -7.765 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 8.623 -1.786 -6.126 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 -11.541 1.633 23.064 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 -16.459 -5.244 -29.823 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 -6.345 -2.548 2.816 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 -1.218 1.167 1.469 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 0.169 -9.339 5.171 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 -0.424 -0.418 -0.408 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 -0.013 -5.670 10.126 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 5.593 4.412 1.831 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 2.312 2.719 6.337 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 -1.352 0.875 10.658 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 4.486 4.062 4.954 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 -2.744 1.963 -3.608 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 6.151 -27.025 -9.763 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 2.568 -10.064 -10.549 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 -2.848 -0.774 -0.571 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 7.465 5.032 7.770 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 -3.495 -13.421 -2.083 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 0.595 -4.191 3.260 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 4.594 10.654 15.937 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 19.556 -14.664 2.740 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 5.313 3.637 0.796 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 10.168 -1.396 -18.467 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 15.075 13.298 -8.962 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 0.492 -2.116 -2.845 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 18.854 -8.784 -6.482 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 -18.418 5.397 0.375 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 -3.566 -5.238 0.081 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 -6.998 2.647 -7.998 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 -1.685 -5.278 0.913 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 -0.126 0.600 -5.220 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 -1.512 -2.807 -4.704 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 -4.638 -1.344 -7.016 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 -3.234 3.143 -3.384 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 11.825 0.587 -20.731 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 -23.617 -13.449 9.476 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 -1.466 2.983 1.870 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 5.333 -9.925 16.529 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 11.752 -20.948 28.589 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 -2.734 -0.045 -1.648 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 12.028 24.913 -1.893 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 -18.992 13.701 -0.142 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 -1.306 2.168 -0.904 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 1.577 5.256 10.970 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 0.507 -21.461 9.749 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 -1.469 -1.839 10.382 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 -4.223 0.601 13.378 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 -4.426 1.396 14.685 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 4.422 1.262 3.084 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 9.435 4.272 18.499 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 6.449 -3.439 21.138 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 1.967 -0.654 5.412 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 -2.656 7.858 0.252 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 12.706 -1.820 15.903 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 -2.382 0.986 2.068 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 -1.437 1.598 -5.838 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 0.454 4.788 -25.113 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 -10.287 -3.058 -4.911 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 -5.381 1.881 31.884 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 2.539 5.947 14.172 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 -1.237 3.074 -7.719 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 -9.549 -17.012 25.541 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 0.670 5.909 -4.137 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 1.327 2.103 3.649 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 -12.149 -0.908 -4.553 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 1.554 10.074 3.103 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 2.060 4.793 -1.150 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 0.535 8.137 -1.234 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 -1.135 0.839 -0.745 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 5.848 3.667 -6.111 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 -7.799 6.299 12.188 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 25.585 6.641 -32.154 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 4.394 3.575 -4.771 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 18.384 -12.808 -18.029 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 -16.046 10.863 5.973 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 1.574 1.336 -2.533 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 16.054 -1.763 -6.414 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 -1.876 0.071 -2.804 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 -2.439 -0.200 -3.098 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 -5.235 11.855 -1.150 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 3.221 13.672 15.006 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 3.432 -3.738 9.945 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 8.381 -20.327 -1.600 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 -0.350 -3.909 12.271 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 -1.716 0.984 -3.884 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 -8.408 -7.066 -7.161 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 1.450 10.286 -5.719 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 -0.617 -6.997 5.037 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 -0.678 -4.591 3.827 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 -3.351 -24.809 8.929 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 -0.891 2.246 -7.665 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 6.641 29.233 11.855 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 -5.607 -27.166 -22.317 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 -4.195 0.107 9.068 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 9.629 10.473 5.864 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 6.622 -8.259 20.442 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 -1.532 1.899 -10.717 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 6.749 19.598 -14.883 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 -1.872 -4.478 -11.934 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 -1.253 -7.223 -5.351 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 -12.935 -16.822 27.273 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 -5.903 -0.629 -4.284 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 6.206 -0.060 1.023 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 -13.883 -0.651 6.735 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 4.842 -5.011 3.272 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 -3.363 4.743 -8.039 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 7.704 8.733 -6.886 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 -20.733 0.187 -9.538 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 6.693 1.343 -6.978 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 -18.816 -6.471 0.767 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 16.393 6.754 2.813 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 -1.727 6.939 -4.518 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 -1.582 -8.293 10.170 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 13.745 2.328 9.278 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 1.480 7.324 3.091 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 11.333 -0.282 12.505 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 -1.859 -2.828 -4.809 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 4.301 3.814 -0.778 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 9.405 14.284 24.520 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 11.094 -20.500 -14.686 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 1.535 -1.817 -4.734 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 -11.826 -7.026 5.046 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 -3.905 -12.335 -18.320 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 -8.622 -1.319 -4.298 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 4.266 -13.477 2.359 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 1.275 12.543 3.092 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 5.056 2.293 5.152 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 -20.597 -14.870 -19.688 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 -10.413 -6.459 40.477 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 2.324 4.462 -5.540 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 7.373 4.422 -15.045 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 -10.992 -11.462 0.699 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 2.613 3.851 1.653 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 11.027 6.803 5.390 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 -10.769 0.963 -1.511 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 -3.481 -1.675 -6.705 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 6.068 0.720 -10.146 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 -5.191 0.586 4.533 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 -2.631 0.371 -2.013 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 9.950 -3.397 1.094 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 12.116 2.008 -7.609 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 4.327 7.018 -0.299 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 11.579 10.413 -14.542 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 4.584 -15.272 12.639 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 1.226 0.754 3.483 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 6.540 3.408 -20.665 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 4.796 5.302 6.531 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 4.025 -3.632 0.896 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 7.423 2.817 23.585 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 -8.984 1.303 11.012 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 -5.815 -2.570 -0.685 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 -19.180 5.440 11.834 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 5.913 -3.147 -5.286 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 -0.476 1.542 -3.628 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 11.460 2.004 22.751 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 -5.524 -2.803 -16.240 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 7.813 -2.912 5.068 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 0.916 -6.281 1.191 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 17.359 10.506 0.074 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 -1.537 0.597 0.437 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 -23.859 18.617 0.267 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 1.424 0.288 -17.395 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 -0.084 3.405 4.967 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 -0.430 -0.462 4.325 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 -5.297 6.021 9.302 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 -3.184 -2.886 2.546 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 16.034 5.104 -0.303 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 9.299 -11.539 -1.185 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 2.660 -1.591 -0.739 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 4.694 -4.873 -0.090 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 7.468 19.421 -2.577 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 -2.237 0.586 -4.353 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 -13.048 -10.255 14.077 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 -8.192 -20.259 0.161 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 -3.259 7.531 3.509 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 -2.455 9.009 2.960 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 -8.664 -4.808 -5.069 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 -1.905 -0.055 3.569 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 -7.881 7.366 -34.246 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 17.931 -22.635 18.652 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 0.724 -6.377 0.611 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 13.519 16.627 12.994 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 0.956 2.371 2.532 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 4.266 -5.275 -3.596 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 16.037 2.191 -5.338 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 0.981 -0.727 9.888 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 -9.416 -4.400 6.864 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 -3.924 21.497 2.884 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 -4.978 0.038 10.945 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 2.682 -5.267 -0.601 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 -25.222 -15.143 -11.788 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 10.215 18.798 -18.801 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 -4.027 6.868 2.639 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 -0.446 7.324 -1.762 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 9.616 12.114 2.191 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 2.511 3.363 -10.225 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 -5.420 -6.751 -9.849 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 -2.959 15.363 -13.031 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 3.337 3.130 1.593 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 4.372 34.745 4.004 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 3.796 -10.532 0.208 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 0.839 1.203 -4.350 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 24.113 9.067 -16.456 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 4.951 8.098 -9.174 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 6.229 -1.661 0.315 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 -0.793 2.803 7.899 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 5.756 -1.950 -2.048 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 2.958 -2.518 8.423 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 -6.587 -6.037 3.369 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 -0.088 3.189 -0.660 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 0.159 -6.035 -0.875 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 -1.971 -5.774 -2.241 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 6.412 -8.999 2.208 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 -0.433 4.197 3.444 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 -15.295 1.871 24.629 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 4.354 -13.346 -20.682 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 2.859 -6.590 6.296 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 10.732 -8.569 5.655 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 -1.245 4.894 17.464 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 -3.887 -9.621 2.144 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 34.526 0.877 -4.366 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 1.653 -9.075 -4.061 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 3.273 5.064 6.445 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 1.327 0.511 18.900 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 0.504 17.368 8.506 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 10.986 0.771 2.950 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 13.425 -1.590 2.582 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 8.735 -0.144 1.699 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 -4.380 -5.906 -6.166 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 2.798 -9.704 -8.911 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 3.301 8.104 -22.975 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 4.493 5.111 5.440 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 0.030 5.771 -9.465 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 -14.701 8.961 -12.528 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 -0.317 -5.861 7.151 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 2.900 -9.695 23.817 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 4.676 1.477 -2.066 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 0.347 -4.128 0.794 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 1.296 -1.356 -0.127 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 10.064 -15.369 22.423 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 -0.912 -2.796 -1.902 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 11.187 -39.609 -5.401 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 -28.888 -2.880 10.128 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 -5.045 0.160 1.032 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 -12.437 16.175 -3.842 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 -10.561 -21.864 -17.957 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 6.248 4.938 0.576 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 2.619 5.844 -2.058 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 22.891 4.180 3.952 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 2.345 -1.991 2.875 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 17.040 0.063 -7.509 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 12.699 -11.649 -5.617 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 4.227 2.616 4.608 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 2.360 -0.004 -1.606 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 7.056 4.097 22.801 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 -0.483 -5.031 5.260 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 -0.423 -10.883 -4.250 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 4.770 6.259 42.945 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 0.834 -3.087 -0.421 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 -13.902 -26.522 -22.871 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 6.960 12.930 -1.639 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 -4.757 4.985 -0.181 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 7.287 -18.966 4.260 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 -0.041 -6.682 1.437 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 3.989 -7.464 7.626 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 -1.740 -21.625 -2.607 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 -10.581 4.777 4.736 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 2.683 -5.493 -0.369 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 -11.490 -14.033 5.027 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 17.512 1.912 -0.090 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 2.058 -2.939 -0.321 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 6.064 19.581 -15.218 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 15.531 -3.862 -10.362 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 5.122 -1.526 -3.611 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 9.234 -6.599 -5.244 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 6.533 -3.481 1.958 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 2.124 -9.558 6.652 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 -4.425 -9.269 4.798 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 2.412 -2.956 23.645 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 3.445 9.350 3.871 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 27.501 3.928 -3.240 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 -11.582 9.431 9.320 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 0.738 -4.417 4.598 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 -1.268 -21.045 15.475 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 -7.205 -6.615 -21.707 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 9.532 -2.107 -0.307 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 -2.245 -4.446 13.693 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 4.941 -3.023 -4.970 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 -0.632 0.385 2.811 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 -4.221 2.957 -5.468 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 1.725 -2.541 -6.705 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 1.107 -2.234 -2.502 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 -9.017 2.673 13.242 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 14.489 -12.340 -27.786 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 4.146 -8.665 1.202 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 13.812 2.724 -19.037 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 15.622 15.490 -3.411 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 9.034 -1.383 -0.665 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 6.438 -9.124 22.338 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 -6.432 -1.535 -1.660 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 5.751 2.545 1.434 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 2.787 3.243 0.415 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 12.803 10.490 -7.225 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 1.180 -7.742 -6.010 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 -7.535 2.455 19.012 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 -20.374 -24.044 -14.956 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 -6.800 6.001 0.554 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 -10.295 -16.596 -2.422 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 -9.675 -4.912 7.713 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 -1.761 1.577 -3.275 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 13.642 -4.669 30.367 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 11.439 0.587 1.321 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 -3.789 0.952 -1.066 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 -11.446 -13.789 -1.877 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 -4.365 -0.862 4.691 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 -4.840 -2.948 0.099 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 2.984 -26.143 -1.441 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 -28.224 -0.897 4.794 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 4.235 5.740 2.404 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 -8.164 -3.288 4.868 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 2.321 23.267 6.833 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 6.280 -1.997 4.894 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 8.562 -6.071 -6.447 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 -4.590 2.919 -3.684 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 -2.211 0.200 0.982 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 4.603 3.817 0.144 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 -16.385 -2.821 25.179 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 -1.891 9.036 3.152 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 -0.446 11.173 4.569 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 0.865 8.269 2.663 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 0.908 -3.232 2.521 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 -3.785 -10.542 15.174 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 -5.970 11.446 11.541 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 -4.078 0.983 -2.634 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 -0.155 4.936 16.485 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 -5.975 1.273 -2.048 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 -3.181 6.545 9.359 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 -12.822 17.375 3.426 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 2.956 1.908 -3.149 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 -10.547 -2.111 0.394 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 8.970 0.350 3.496 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 2.484 8.539 1.665 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 5.014 3.710 1.005 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 -3.979 -6.897 -1.966 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 20.415 26.474 -5.863 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 -1.585 -0.681 1.904 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 -6.762 -18.196 8.383 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 -7.754 -4.131 -4.443 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 -1.898 -8.286 -1.190 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 3.225 -3.787 -5.822 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 19.679 3.213 7.520 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 0.055 0.294 2.221 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 -17.984 2.909 7.292 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 5.226 -3.763 11.121 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 -5.828 4.953 2.690 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 13.010 3.507 -3.651 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 19.061 -0.234 0.333 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 -1.944 -1.097 -1.894 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 3.781 -1.372 -1.612 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 -15.913 -12.708 -3.744 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 3.062 -4.489 1.491 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 -8.479 17.684 2.439 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 -3.050 7.375 3.634 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 -5.346 -5.872 -8.163 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 -0.745 6.275 -9.559 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 -13.127 1.393 -9.478 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 3.701 -4.363 0.554 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 10.789 15.414 9.171 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 0.184 -0.105 6.927 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 4.045 4.119 0.204 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 -7.380 -10.088 4.950 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 -13.810 14.662 11.104 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 -1.631 -3.759 10.760 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 2.530 12.349 13.143 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 -22.678 6.845 6.200 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 1.093 1.993 3.622 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 -9.033 0.454 22.259 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 8.126 -19.135 5.992 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 11.391 7.056 -0.533 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 2.393 9.107 -6.563 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 25.845 -2.165 2.940 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 -6.878 -2.927 -2.261 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 -1.997 -0.790 -3.534 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 -5.013 -1.770 -2.511 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 -2.959 -2.686 -1.903 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 3.255 -7.660 1.513 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 4.443 -5.874 14.080 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 1.342 4.863 -6.669 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 16.547 6.368 -9.995 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 -16.973 0.939 2.127 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 4.157 6.716 0.288 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 28.930 -3.693 0.086 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 -15.595 -9.712 14.176 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 0.029 5.248 4.912 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 -16.826 7.211 12.018 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 16.121 -10.587 11.270 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 1.595 -7.366 -1.342 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 2.813 -1.588 -7.176 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 2.121 -24.529 4.871 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 0.207 0.484 -2.526 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 4.056 -12.714 -16.639 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 4.814 6.341 -1.599 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 -2.591 0.029 3.940 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 18.339 18.914 -20.236 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 -38.731 -10.768 -15.738 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 3.019 1.341 0.725 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 3.609 3.328 3.946 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 6.283 0.955 -1.334 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 6.019 2.387 1.811 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 10.049 8.153 -7.368 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 2.923 -5.736 5.509 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 2.079 4.409 3.369 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 11.140 4.514 3.196 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 11.870 10.636 -9.176 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 -1.154 6.391 -0.042 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 4.877 -0.076 -0.487 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 12.917 14.664 -2.983 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 0.634 3.262 -1.844 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 -11.921 -4.291 6.655 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 -8.049 -3.530 -9.261 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 -1.506 -0.225 -0.871 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 22.035 16.054 -12.805 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 -29.102 18.406 2.183 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 5.511 4.212 -5.405 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 4.918 4.869 10.027 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 20.061 13.882 -2.096 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 -8.984 6.711 -1.217 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 15.948 8.043 0.542 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 -9.103 -14.068 6.583 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 -0.855 -2.839 -6.066 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 -1.530 -17.569 -12.805 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 -11.732 18.130 -24.575 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 -2.166 5.735 1.018 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 -1.301 2.494 -16.396 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 -4.349 7.656 17.435 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 -5.658 -5.941 -1.782 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 -2.134 2.053 -8.544 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 -9.009 -10.866 2.530 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 -3.157 6.084 3.655 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 44.598 -2.695 12.488 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 -12.134 2.994 -1.737 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 1.693 -1.302 -6.885 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 2.561 -9.437 -2.171 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 0.853 13.936 -10.181 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 -1.103 0.979 -4.454 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 -3.478 -7.979 -12.580 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 -2.846 -5.759 -9.085 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 -2.151 -3.513 1.234 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 -9.919 3.271 3.634 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 0.123 -4.802 0.186 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 -1.590 -2.135 -0.619 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 13.037 4.876 -9.176 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 -12.814 -3.857 9.771 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 3.249 0.662 3.750 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 2.271 -2.058 3.341 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 1.577 -3.280 3.714 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 -2.195 2.745 -0.908 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 11.279 -22.844 -3.826 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 5.217 12.262 5.811 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 -2.353 2.687 -3.012 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 16.287 -15.681 1.664 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 16.649 -29.480 -4.039 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 -1.024 3.642 5.008 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 11.146 -8.127 3.472 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 29.475 -13.576 -0.201 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 -4.881 -5.714 -2.476 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 -2.296 -8.653 -16.864 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 -9.862 5.946 0.158 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 -4.975 -2.918 1.307 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 2.250 -5.315 19.193 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 2.267 -5.099 17.631 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 -0.555 -2.696 -6.577 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 10.454 17.999 17.965 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 35.044 12.999 6.813 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 1.487 -5.264 -4.236 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 9.569 -4.626 -10.556 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 -0.172 8.449 31.624 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 0.408 4.289 0.584 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 -3.715 11.995 -5.015 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 5.195 -2.877 -7.194 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 0.236 0.075 2.006 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 1.214 -1.775 -2.587 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 20.200 5.239 -10.347 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 -2.412 -0.288 2.779 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 3.441 -3.162 -13.131 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 -12.888 9.501 15.791 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 -3.050 6.584 0.173 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 16.686 -3.823 14.511 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 -23.509 -0.028 -20.577 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 1.270 -0.488 -1.580 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 -3.485 -11.999 -4.514 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 17.082 16.537 1.871 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 -9.639 -1.441 -0.126 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 -14.040 2.360 0.710 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 -20.728 -3.690 4.218 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 -6.238 4.818 0.995 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 -8.513 15.708 7.822 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 -4.071 -5.674 9.881 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 3.187 -4.561 1.912 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 -4.449 16.877 9.654 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 -5.637 -2.465 11.789 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 3.556 5.282 -8.273 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 4.096 1.605 -11.127 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 14.724 10.153 -7.638 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 -0.277 6.688 1.736 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 -2.309 6.093 13.205 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 8.748 -1.270 9.642 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 3.052 3.170 7.287 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 1.577 -2.092 3.445 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 -28.450 26.264 -29.517 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 4.261 2.207 -0.859 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 -8.170 -27.815 7.289 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 1.886 16.375 13.981 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 0.340 -5.483 0.748 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 -5.199 -12.152 -7.189 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 6.460 -10.862 5.190 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 2.618 5.690 -0.024 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 -8.755 -1.711 -12.285 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 -15.236 -5.482 -24.189 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 -0.928 -6.400 -2.091 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 -6.621 0.845 8.217 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 -8.485 -8.714 -10.453 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 5.001 -2.095 1.340 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 7.261 -17.253 -10.091 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 0.897 12.763 -12.541 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 -0.626 0.297 0.145 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 -3.405 -2.400 3.434 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 -3.994 -5.431 1.590 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 -1.156 5.897 -0.786 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 12.893 4.543 -36.030 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 -0.876 3.417 -4.686 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 -3.475 2.501 0.681 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 0.640 1.915 24.289 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 -27.440 -6.952 -6.355 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 8.101 4.540 -6.084 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 9.229 41.010 -9.837 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 -17.098 -3.134 -25.643 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 2.202 1.198 -8.135 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 -1.530 5.543 -0.845 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 2.554 6.015 -10.471 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 0.895 5.231 -2.400 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 18.893 3.988 -1.803 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 4.255 6.369 5.672 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 2.360 -1.315 -1.196 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 -30.872 -8.272 -17.473 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 -1.707 -11.942 11.129 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 -4.875 -1.334 -5.301 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 -2.490 -23.863 23.821 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 -0.385 -17.311 -22.593 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 3.848 -4.694 -2.669 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 -9.580 -11.786 -2.355 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 3.802 -14.642 -2.960 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 -4.082 0.017 1.855 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 -10.925 6.308 3.624 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 -4.633 9.444 3.873 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 1.972 -0.481 4.717 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 10.302 -8.630 15.167 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 7.324 -5.399 -0.829 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 6.036 3.067 3.805 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 -11.381 0.356 24.045 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 -7.453 5.879 -14.037 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 -4.209 -2.749 -0.273 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 9.816 -0.959 -5.141 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 -23.404 -19.915 -6.918 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 1.019 2.931 -2.474 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 0.380 3.495 -4.720 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 22.988 -11.481 -0.862 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 -4.864 5.171 0.177 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 3.111 15.377 21.387 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 0.654 4.968 2.042 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 -2.833 -1.095 4.046 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 -6.638 -14.023 0.639 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 10.381 24.609 10.602 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 2.810 -6.513 9.137 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 2.334 -1.817 3.780 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 8.274 4.746 9.076 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 1.298 1.318 -2.296 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 12.217 5.057 17.696 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 -3.716 15.580 -3.343 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 -2.196 -7.889 -1.864 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 -6.617 9.437 6.655 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 4.804 -1.593 -24.307 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 -0.702 4.497 -1.267 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 6.084 5.740 -0.712 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 -0.452 -2.757 -3.995 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 -7.060 -0.658 -9.258 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 25.472 -3.334 17.214 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 -4.767 17.600 -21.158 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 4.965 -2.820 -2.782 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 10.050 5.601 11.217 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 14.112 -5.906 -6.799 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 3.419 0.419 -3.281 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 27.081 -19.275 14.870 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 -6.410 -7.605 3.419 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 3.214 3.193 0.743 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 8.853 12.543 2.265 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 8.171 -4.208 24.000 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 -2.221 -0.576 4.626 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 -2.706 -29.371 -3.361 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 -3.444 -4.410 10.083 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 4.207 -3.377 -4.794 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 15.762 2.658 3.002 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 -9.175 -14.178 -8.171 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 7.049 -6.959 -5.169 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 5.878 -13.754 -13.042 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 5.387 -17.348 5.456 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 -7.093 0.926 6.820 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 -5.837 6.327 8.610 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 13.883 12.248 19.329 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 4.153 -1.809 0.459 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 1.933 -12.611 9.775 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 -2.660 -8.593 -13.689 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 -1.467 0.995 -4.997 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 -0.127 18.377 3.551 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 -3.799 -13.205 7.247 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 4.203 6.311 -10.576 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 -8.059 -23.742 -18.083 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 3.093 0.066 3.353 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 -1.364 2.883 1.403 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 3.389 12.762 25.474 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 -24.812 3.672 -3.425 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 4.711 0.366 -1.744 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 -16.169 -11.899 -22.852 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 -3.157 4.481 -1.727 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 -1.632 -7.277 1.859 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 -1.467 -6.883 1.962 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 -5.976 -16.109 3.922 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 -0.098 6.333 2.609 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 -7.919 -3.938 10.768 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 2.855 0.188 -23.364 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 -4.176 1.090 -5.772 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 -6.408 8.273 -14.238 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 8.962 -1.059 3.766 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 -1.189 -4.316 -1.514 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 -13.428 -5.285 9.123 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 -16.615 11.523 -13.939 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 -5.070 1.327 2.279 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 -12.894 -15.610 6.333 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 -24.274 13.429 -6.153 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 -4.393 -2.302 0.799 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 -4.680 12.959 7.213 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 -3.372 -11.068 0.422 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 -2.846 1.325 6.242 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 -10.269 1.004 -3.982 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 18.048 6.710 -10.273 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 -2.391 -1.153 -2.185 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 22.460 2.915 12.330 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 38.027 16.400 27.797 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 -2.995 1.626 -0.267 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 -2.379 5.934 -7.095 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 5.586 4.427 3.071 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 -4.271 -5.576 6.388 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 -12.995 -0.314 18.474 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 -13.727 -2.623 0.376 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 3.271 -2.599 6.427 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 13.180 5.319 -1.665 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 8.968 1.649 -0.006 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 -1.350 2.132 5.390 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 -3.255 3.346 3.947 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 -14.772 -10.526 12.700 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 3.689 -3.678 -2.998 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 -2.562 -16.425 -7.851 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 -2.460 7.870 -3.443 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 -0.707 2.318 -0.332 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 -0.821 1.996 -13.086 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 -3.049 6.782 -2.537 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 -2.015 -8.127 -4.056 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 -16.092 24.051 0.079 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 3.467 -20.744 27.716 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 4.606 -1.341 -1.822 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 -9.090 -17.535 3.027 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 14.840 15.683 -32.453 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 -10.568 -1.074 -6.093 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 -7.916 2.049 14.768 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 -14.759 -3.362 -10.274 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 2.207 -1.673 3.500 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 0.115 -4.671 -0.859 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 -2.552 -4.243 -12.553 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 0.307 -3.496 0.019 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 10.101 -27.833 -22.922 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 -10.449 1.236 19.414 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 -1.749 -3.457 -0.758 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 -9.206 -16.692 -5.101 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 -4.606 5.599 -12.388 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 2.740 -7.124 -3.540 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 -10.585 -16.073 -22.029 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 -18.957 -28.580 19.213 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 -0.915 3.168 -8.785 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 12.897 -11.090 -9.778 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 9.849 -5.345 2.906 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 3.808 1.323 -0.581 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 6.023 28.136 7.877 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 2.519 5.115 16.032 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 -0.239 -0.862 -2.252 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 12.027 -12.874 9.902 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 -18.540 -13.281 -0.259 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 -1.671 0.426 2.991 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 -6.145 16.845 12.432 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 -1.588 -15.284 -4.842 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 0.354 -6.888 -1.321 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 -4.442 21.415 -24.284 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 20.612 -19.457 -17.791 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 -3.603 -4.750 2.594 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 -4.242 -25.372 24.215 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 -14.938 -0.804 -10.952 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 2.434 0.204 2.200 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 4.461 8.551 6.466 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 21.906 5.155 9.123 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 1.940 1.885 -0.648 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 15.047 33.497 -9.002 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 9.629 -1.630 -14.852 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 -1.714 -4.925 -0.054 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 0.494 19.598 -1.375 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 17.602 -11.572 -12.870 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 2.511 2.066 3.288 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 -6.583 9.669 6.498 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 6.603 4.220 -6.967 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 4.749 -2.978 1.488 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 -5.954 6.965 -11.743 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 -20.855 24.360 -2.785 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 -1.073 1.614 -0.293 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 -16.864 3.599 -19.302 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 -2.217 21.235 10.599 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 -1.114 1.314 0.903 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 5.017 -6.863 16.361 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 20.696 -13.119 5.074 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 -1.311 -0.848 -0.258 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 -8.606 -1.225 -4.001 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 -5.937 -23.032 2.630 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 -4.170 5.410 0.883 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 -19.076 1.834 -8.816 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 -3.359 18.814 -5.815 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 1.226 -2.607 8.985 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 -22.135 18.490 -1.013 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 10.624 9.986 16.483 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 -5.821 3.273 6.126 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 -0.047 3.527 -20.794 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 -5.880 -25.432 -34.053 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 3.180 1.356 0.993 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 -8.500 4.125 1.171 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 -0.427 -1.823 -0.990 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 1.124 0.287 1.024 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 7.623 18.107 -38.866 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 -24.496 -26.969 -22.049 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 -3.696 0.606 -4.170 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 6.676 5.810 6.846 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 -12.688 13.927 -16.024 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 -0.497 1.065 -3.191 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 -19.199 -28.930 -8.326 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 20.409 15.865 -4.781 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 -4.525 1.241 -3.937 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 -4.765 -7.102 -5.662 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 -5.408 -2.202 -9.148 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 1.236 4.384 0.161 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 2.635 12.929 0.070 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 -7.703 16.031 3.514 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 -0.041 -3.498 1.712 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 0.519 -1.179 1.275 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 -0.842 -2.664 1.753 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 -0.101 4.458 2.043 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 6.522 -6.265 -11.225 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 4.484 -20.519 -4.603 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 -1.254 -3.863 5.837 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 -3.418 4.949 12.750 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 -1.638 -2.065 7.314 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 0.577 8.071 -6.218 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 20.676 18.712 -9.989 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 16.900 -11.485 6.103 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 -1.653 1.628 1.087 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 -6.250 -0.109 4.629 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 -4.886 3.540 -28.509 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 4.778 -2.603 4.092 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 -2.460 -9.871 21.713 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 6.448 -36.986 2.276 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 -6.511 -3.695 1.511 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 -1.042 -10.262 5.051 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 -22.119 -5.803 1.733 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 -1.653 -4.663 9.154 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 -19.513 0.133 6.948 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 14.849 -3.814 0.401 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 4.261 -9.159 5.571 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 6.329 -5.795 4.110 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 -10.302 4.198 3.075 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 3.099 10.031 -3.815 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 2.002 2.302 -6.954 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 10.331 10.650 -4.105 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 -4.064 -3.775 5.318 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 -6.954 0.601 -6.624 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 0.333 -7.919 28.914 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 1.339 -9.114 6.173 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 -16.349 -20.569 -9.360 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 -34.938 17.089 -3.277 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 0.452 -3.470 2.780 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 -26.333 2.941 -27.796 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 9.201 13.043 -15.035 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 -2.440 -1.651 -1.524 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 13.457 1.373 -2.300 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 -5.189 -12.999 -12.280 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 4.051 1.811 4.559 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 8.449 13.761 27.212 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 -15.333 11.234 5.567 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 -4.877 2.407 -9.855 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 3.294 -19.640 0.063 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 -2.342 1.371 -5.118 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 0.079 5.511 2.410 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 0.331 15.130 12.162 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 -0.075 -5.729 -9.152 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 -2.340 6.013 -2.750 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 -4.090 3.809 -0.456 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 1.997 9.727 -2.607 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 3.388 -1.654 1.720 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 14.818 -10.137 -4.182 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 -2.805 -12.766 24.919 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 1.716 -2.141 0.811 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 20.427 10.355 0.826 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 -8.038 17.296 -2.077 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 -1.364 2.616 -6.290 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 36.907 5.692 4.467 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 -13.988 6.383 3.087 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 4.247 -2.679 -2.927 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 11.059 -2.428 -0.091 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 3.017 -12.015 3.617 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 6.344 -6.453 -7.763 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 3.803 29.139 -24.478 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 16.767 -14.507 -1.901 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 -1.746 -6.453 -7.277 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 21.686 -11.586 -5.304 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 -11.142 18.612 4.065 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 4.234 2.434 -1.058 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 0.011 31.373 1.770 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 17.719 -3.406 26.578 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 -0.274 -1.531 3.932 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 -0.647 -1.406 10.390 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 -12.204 -6.320 -17.072 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 -4.281 -5.043 -2.612 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 21.989 -1.278 5.269 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 7.190 10.613 4.909 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 5.231 14.495 -1.716 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 16.141 8.835 -2.680 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 -1.425 13.290 5.485 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 3.178 -1.791 -4.217 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 -0.482 -11.703 -0.194 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 22.420 7.544 -5.826 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 3.067 -3.806 0.436 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 18.571 19.279 -3.624 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 -14.806 6.044 0.153 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 -2.376 0.567 1.169 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 14.775 -7.446 -9.316 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 -13.714 -0.428 -4.574 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 -0.459 5.234 -2.895 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 -13.932 21.095 -21.790 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 5.972 8.918 4.051 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 1.560 -1.862 5.513 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 -23.559 -2.456 -27.346 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 0.568 23.901 21.892 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 -8.765 4.083 -1.078 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 -15.592 1.796 -15.190 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 -4.504 3.504 -22.507 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 0.289 2.109 1.404 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 4.386 -9.341 -1.432 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 9.774 -2.340 -6.014 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 -1.666 -5.921 -0.581 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 8.130 -2.401 -14.909 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 -6.809 1.765 12.350 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 -2.203 0.676 -1.516 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 -2.083 0.852 -1.782 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 -4.835 7.784 -8.266 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 0.879 -9.432 10.185 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 -0.797 -9.932 14.297 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 13.824 -5.149 0.734 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 2.100 3.797 -0.712 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 0.980 8.381 -10.212 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 -1.539 21.939 -10.496 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 2.545 3.616 0.221 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 -4.298 -1.248 29.384 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 -0.601 -5.219 -18.782 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 0.597 -0.567 2.078 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 -6.222 13.286 4.617 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 -17.734 -26.908 9.512 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 -2.500 1.351 5.044 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 -7.068 -2.189 8.324 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 -14.803 4.074 7.110 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 7.125 -5.641 -4.610 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 9.001 -4.275 -1.450 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 -7.449 -6.627 -1.253 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 4.137 -2.770 -2.322 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 16.066 -3.865 -8.030 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 4.947 -8.947 8.927 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 -0.685 -5.494 0.611 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 3.531 -0.816 4.622 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 16.706 -2.387 -5.400 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 2.970 -3.571 0.483 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 6.906 7.917 -13.944 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 5.846 18.571 -12.324 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 -0.800 3.154 -4.341 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 12.152 3.075 14.280 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 -13.218 7.140 -1.016 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 -7.607 1.697 1.837 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 -40.070 21.001 -6.367 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 6.903 -8.130 5.256 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 1.030 0.340 -0.333 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 4.011 22.587 14.289 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 -15.646 6.004 -19.324 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 2.275 -5.688 -0.744 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 5.941 8.448 26.231 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 6.569 -15.611 2.841 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 -3.429 1.084 -3.683 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 -8.796 16.735 -0.555 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 -7.991 -21.220 -21.409 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 -7.210 -0.859 3.511 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 -13.041 1.601 2.296 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 30.091 -10.338 10.273 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 3.142 1.953 1.399 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 -1.611 5.671 -35.369 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 6.653 -24.231 -4.537 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 -1.449 0.323 2.183 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 10.153 0.695 16.599 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 -31.634 4.529 4.755 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 0.609 -1.179 -7.558 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 -1.436 -22.723 -6.126 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 -8.765 5.615 12.103 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 -0.518 0.060 -2.900 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 4.487 -9.476 -3.628 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 9.455 -13.263 -2.597 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 0.196 -0.767 -1.693 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 -13.703 34.197 -4.545 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 15.092 -11.926 -3.984 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 1.790 -10.486 -6.145 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 13.870 -5.666 -8.438 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 -6.133 -11.739 -6.514 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 2.655 -2.858 -3.259 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 4.189 -10.557 0.674 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 1.193 5.636 -14.388 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 5.600 -1.330 4.551 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 6.827 -15.799 -31.547 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 5.827 -9.822 -22.446 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 4.192 -1.633 2.244 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 2.860 3.538 1.845 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 13.027 1.530 13.229 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 0.522 -0.613 -11.062 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 -0.168 0.675 -10.373 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 8.587 -6.927 -31.093 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 1.111 -5.178 1.882 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 -3.258 8.709 -8.628 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 12.864 -4.654 3.972 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 -5.551 2.967 4.434 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 -7.249 3.345 17.738 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 -4.479 5.611 -1.883 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 1.850 7.490 -1.449 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 3.799 1.392 -13.252 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 10.813 3.025 6.596 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 1.496 -6.668 -0.469 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 -3.971 -24.961 -10.752 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 2.809 14.468 11.331 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 3.517 -2.608 -2.589 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 4.447 5.546 -6.541 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 6.561 17.791 -8.947 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 -1.006 -4.551 0.795 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 5.421 -12.884 5.031 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 6.574 3.472 10.804 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 3.369 -0.338 -0.196 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 -9.166 22.096 9.781 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 -2.812 -0.149 -2.714 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 0.573 1.828 -0.759 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 5.499 8.672 -34.492 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 1.498 1.830 -15.686 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 0.280 -0.604 -0.496 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 22.229 -7.138 -3.230 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 2.400 9.896 8.954 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 2.168 -2.800 -0.056 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 -15.073 -20.373 -11.917 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 -8.603 -6.769 -23.088 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 5.938 7.902 -3.541 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 17.191 12.046 38.897 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 5.253 8.643 -4.963 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 1.497 1.046 -9.500 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 0.050 25.484 -19.330 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 -6.207 -25.080 7.524 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 2.549 1.537 0.650 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 9.962 -10.053 -9.189 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 -11.181 1.055 2.072 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 3.791 -3.414 4.084 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 -4.218 3.130 -11.728 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 3.895 16.291 20.630 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 -2.891 4.624 -6.234 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 22.361 12.915 1.168 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 -22.922 -1.475 12.299 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 1.930 -1.929 -5.845 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 -6.364 4.939 1.239 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 3.720 -8.237 -16.720 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 -3.549 -0.660 -0.781 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 18.095 38.965 -1.857 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 -6.002 19.248 -3.158 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 -0.048 -4.847 -1.930 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 -1.038 -24.595 -3.860 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 -3.124 4.147 -7.930 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 2.922 -3.855 -1.285 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 -28.844 -6.319 9.800 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 17.024 1.193 -10.522 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 6.356 -9.872 -4.488 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 1.673 -11.089 -9.102 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 -0.414 -3.540 -1.682 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 3.618 -2.807 3.688 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 -2.099 -16.454 15.094 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 -9.123 -21.379 -5.237 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 1.309 5.117 -1.256 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 -10.482 10.460 15.421 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 -6.339 31.298 -19.017 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 -2.700 2.784 0.719 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 7.910 5.489 18.422 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 -0.040 -13.928 -2.238 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 -6.340 0.370 0.943 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 20.487 -2.458 -2.096 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 -18.837 -4.678 16.028 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 -8.461 -1.765 -4.378 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 -35.254 -3.130 -12.168 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 4.898 8.750 -25.608 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 0.308 11.363 -5.538 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 -2.482 6.249 -8.201 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 19.736 0.576 1.988 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 -2.837 -0.397 0.166 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 -7.164 0.651 7.904 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 -8.858 4.400 -5.706 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 -3.258 1.019 1.258 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 -3.940 -21.957 -8.396 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 -3.342 -15.259 5.673 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 -5.544 -2.339 -2.400 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 -17.382 2.201 -19.326 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 -8.516 7.434 5.520 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 -1.359 2.153 5.475 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 -2.887 5.639 -12.970 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 14.057 -1.135 20.836 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 -2.189 -2.918 3.176 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 24.392 -13.735 0.978 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 -2.736 -7.708 4.665 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 2.913 2.685 -8.836 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 -35.369 4.973 -12.987 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 -7.356 4.705 -9.210 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 5.566 -1.037 -2.706 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 -0.825 2.508 -16.161 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 2.532 -28.560 -13.522 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 -1.806 1.375 -5.991 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 -25.095 -3.405 5.053 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 7.509 4.127 -7.641 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 -3.267 -2.418 -5.656 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 12.033 -12.565 -8.729 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 14.392 -6.708 -2.969 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 1.060 -1.979 -2.464 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 -2.923 -0.569 -0.043 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 -5.155 15.989 -10.603 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 5.352 -1.197 -8.551 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 5.434 0.302 -9.074 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 15.965 6.645 -13.059 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 0.710 -4.708 2.169 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 14.246 -0.684 -5.753 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 13.806 -4.813 -1.429 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 -5.340 -3.105 -3.951 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 -13.505 -8.788 6.395 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 -7.128 -4.066 -1.429 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 -3.911 3.754 1.132 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 -2.562 -10.948 -4.171 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 4.485 3.856 5.520 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 -0.088 3.634 4.349 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 2.518 15.141 -3.828 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 -4.946 -2.065 11.427 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 -2.016 3.499 0.796 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 -8.511 -6.462 -13.516 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 15.518 19.489 16.602 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 -1.704 4.240 3.552 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 -4.358 -7.945 -25.180 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 4.761 -28.078 -11.409 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 1.098 0.241 6.517 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 16.113 7.412 13.141 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 -7.158 -6.908 -10.502 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 2.541 -9.100 5.229 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 -17.535 -15.227 1.146 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 1.186 -9.779 7.274 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 1.114 -0.127 -4.335 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 0.885 7.891 -17.000 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 9.922 5.634 8.756 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 0.050 10.414 -2.892 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 -0.804 -4.966 12.645 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 -13.130 -20.712 -14.586 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 2.893 -1.415 2.918 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 -5.803 11.718 0.408 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 -0.568 1.777 18.977 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 0.490 -2.734 1.736 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 3.909 -20.692 4.980 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 -6.887 -4.685 12.595 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 6.899 4.814 3.192 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 -15.064 1.531 -18.189 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 18.190 -4.228 -0.918 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 5.056 -4.227 3.966 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 11.538 -12.871 9.611 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 9.717 -1.006 1.958 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 -1.291 7.132 2.260 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 -8.333 -6.092 -0.733 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 10.745 3.472 9.966 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 -7.156 -3.344 -10.683 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 -22.104 -9.536 -6.137 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 27.598 23.866 16.518 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 0.389 4.737 -5.532 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 -11.047 -5.133 -10.669 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 -16.525 -6.095 0.020 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 3.443 6.748 -1.520 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 4.790 5.718 -4.351 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 4.131 15.728 10.540 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 -1.835 3.053 -2.957 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 26.798 -10.661 -4.478 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 -25.236 -10.799 -9.588 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 -8.645 0.758 -4.843 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 -16.766 -8.047 -12.650 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 -12.291 11.885 -0.528 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 6.427 -3.162 0.637 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 -17.716 7.956 13.918 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 2.168 -9.392 -20.648 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 -3.074 -1.958 0.550 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 1.551 -10.542 16.936 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 3.741 -6.482 6.138 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 0.712 3.095 1.128 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 -1.065 11.770 5.723 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 -0.669 10.533 1.764 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 -5.864 -7.490 -0.113 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 2.194 -0.561 -12.192 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 -7.484 -10.738 3.839 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 -3.562 0.414 7.618 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 -5.580 -7.608 16.391 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 -2.970 20.093 -12.940 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 -0.703 -0.141 -10.103 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 18.386 -15.664 18.442 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 -0.056 -1.177 2.819 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 8.763 0.535 8.165 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 -0.227 3.679 2.355 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 -1.215 3.278 -16.486 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 -9.190 1.302 -7.684 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 -2.817 -22.078 4.152 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 -21.484 11.051 -16.977 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 3.186 1.673 5.161 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 -7.309 -14.604 10.985 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 -7.222 1.828 -17.201 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 1.715 -2.743 -4.149 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 9.080 -14.428 -2.490 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 9.834 -15.682 -12.296 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 -2.631 4.570 3.530 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 -9.313 -8.401 1.427 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 -0.817 6.103 17.942 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 2.030 1.514 -1.933 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 4.447 -5.908 13.313 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 7.365 26.069 12.367 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 4.232 4.164 3.251 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 1.072 -1.314 7.857 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 -2.931 -3.812 14.664 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 -10.657 5.142 -2.094 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 -8.088 27.828 -18.684 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 25.571 -7.077 -6.872 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 -4.218 -0.658 1.868 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 -8.071 -5.675 -2.032 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 -2.162 4.672 7.501 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 0.074 3.575 -2.099 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 8.668 -3.338 -4.219 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 5.025 28.964 -3.812 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 -2.236 3.940 -1.279 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 -7.834 7.206 -9.038 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 -14.643 14.296 -1.663 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 -0.715 2.312 -2.870 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 1.897 -23.309 12.818 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 -13.534 -3.579 -14.355 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 -3.962 -3.442 0.065 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 6.769 -1.752 -3.992 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 -9.435 -9.700 4.319 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 0.855 -1.960 -8.173 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 -1.952 -5.151 -26.607 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 -0.533 -7.072 -30.100 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 -6.334 -2.971 2.902 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 -10.016 -3.485 12.162 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 -9.984 -10.398 -9.524 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 -7.509 8.428 -2.076 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 -26.938 9.967 -8.011 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 11.878 24.698 -3.935 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 0.125 -3.353 0.437 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 -0.250 -3.117 0.416 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 -16.024 -2.640 5.446 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 7.227 -1.594 2.471 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 20.899 -8.520 20.457 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 3.661 -11.062 28.259 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 2.121 2.059 -1.557 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 0.029 7.493 5.006 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 12.734 3.789 5.525 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 0.252 -5.851 -3.563 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 -10.540 -15.066 -10.490 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 9.661 12.818 0.182 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 -1.812 1.372 5.679 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 -8.889 2.974 -12.283 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 -7.735 1.358 -1.769 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 -3.607 -2.671 -5.451 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 -17.099 19.790 6.991 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 -5.697 -1.783 1.477 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 3.373 3.574 2.671 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 3.405 3.038 -17.198 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 13.766 -1.777 -3.760 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 -5.013 9.721 3.639 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 -11.651 -11.923 10.130 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 0.642 -7.507 7.612 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 3.183 2.171 2.597 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 15.811 18.221 -26.378 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 -27.724 -2.226 -3.133 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 -2.491 0.655 5.831 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 -20.594 4.218 -10.867 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 -13.802 -8.267 26.193 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 -8.794 5.228 -0.587 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 -11.030 8.085 6.355 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 9.533 20.968 -7.310 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 -6.023 -7.970 -1.428 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 -8.920 -10.082 -19.961 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 -0.792 -18.863 11.748 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 0.621 -4.365 1.455 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 -1.349 5.259 -6.275 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 -0.199 1.481 -3.804 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 0.079 1.181 2.172 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 7.503 1.486 1.278 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 -4.171 1.335 1.786 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 3.238 -1.212 4.997 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 -3.145 8.240 4.034 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 -16.517 20.688 1.918 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 3.657 2.019 -0.192 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 -13.473 12.011 12.475 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 18.372 20.051 -12.657 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 -1.596 -0.775 -0.718 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 7.335 -1.616 -0.659 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 -3.617 8.861 0.890 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 5.584 -5.568 -1.782 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 -4.363 14.208 -1.477 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 1.995 1.826 2.473 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 -5.811 -5.648 -1.934 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 1.827 0.137 -4.262 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 -21.638 -2.960 13.757 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 -2.151 -3.681 4.072 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 -4.813 -32.940 -4.561 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 4.675 17.510 -23.768 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 -0.864 -3.798 -1.932 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 9.911 0.177 -7.033 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 -9.504 0.389 -9.570 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 -3.350 -4.726 -1.974 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 6.499 -16.643 8.335 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 -16.800 24.462 -7.635 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 -2.724 -5.792 -8.207 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 -5.651 -6.163 -6.245 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 -6.509 -6.893 -12.404 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 9.305 1.597 2.635 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 19.961 7.833 5.127 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 -16.406 -12.026 -3.851 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 -6.180 -0.529 2.031 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 13.386 5.459 5.214 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 13.431 4.878 -20.067 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 2.183 0.745 -0.246 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 13.256 -10.755 16.788 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 -7.114 15.527 -3.449 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 -2.780 7.968 -3.648 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 7.519 -13.256 -12.808 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 -6.784 7.158 -9.068 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 -1.184 0.220 0.913 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 2.038 12.244 -15.087 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 6.710 22.109 -9.581 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 -0.675 8.668 1.993 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 7.924 5.017 1.074 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 0.874 18.694 0.029 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 7.769 -5.300 3.897 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 -9.801 -13.005 -6.436 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 16.132 7.098 13.578 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 5.051 -2.352 -7.500 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 -7.382 11.743 10.937 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 -3.464 -2.200 -13.801 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 -5.022 5.589 2.783 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 14.867 -12.858 14.558 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 -4.426 8.912 7.577 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 -6.800 1.848 -2.065 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 2.786 18.017 -3.707 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 -15.059 11.932 12.005 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 2.554 6.877 -7.911 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 -11.495 -6.670 -19.931 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 -11.529 22.497 -7.635 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 6.096 -2.863 3.327 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 17.664 3.862 -4.800 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 -2.713 -11.885 10.563 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 -1.426 2.980 8.977 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 -26.531 13.266 -0.422 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 -4.649 -6.308 -22.426 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 -2.760 -0.657 -0.411 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 -13.116 2.422 4.184 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 -2.073 -5.678 3.941 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 5.642 -2.562 3.177 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 20.236 -7.972 -13.073 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 4.860 -20.208 -14.936 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 0.089 -0.053 -4.176 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 3.253 -8.847 0.715 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 8.064 -25.021 12.756 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 1.265 -3.839 3.356 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 -4.986 -16.725 -3.014 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 1.580 -7.686 13.280 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 -4.399 3.351 0.404 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 -6.056 10.027 8.848 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 6.957 5.463 -17.373 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 -1.401 -3.366 3.627 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 5.046 -0.110 -17.270 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 11.432 -1.767 -0.799 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 -2.736 -1.243 2.243 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 -17.863 27.380 -3.303 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 1.157 -2.074 -0.903 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 -0.336 -2.613 -2.636 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 1.736 -23.256 -3.030 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 7.822 -6.200 -18.677 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 -2.641 0.234 6.499 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 -0.543 0.967 8.739 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 -0.288 4.108 7.237 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 -9.784 1.057 4.210 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 -4.765 6.786 -13.841 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 6.085 -0.126 15.061 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 -1.322 -2.688 0.778 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 4.536 10.147 14.333 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 -1.856 -6.887 -2.509 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 10.550 -2.332 -8.258 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 6.830 6.263 -3.270 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 -12.084 -23.916 10.458 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 -0.780 -7.521 2.152 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 -0.524 -6.209 -4.515 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 -6.541 -2.538 6.983 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 -1.477 2.463 -0.380 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 6.700 31.624 -8.083 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 20.114 0.083 5.451 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 0.247 6.442 1.133 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 29.317 -15.891 1.193 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 7.110 13.707 -27.645 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 -0.298 -0.979 -5.130 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 -2.273 -19.246 -8.432 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 -0.363 -12.299 -9.432 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 -0.013 6.724 5.155 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 -9.064 27.673 5.736 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 -9.534 3.173 3.974 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 -7.336 -3.853 0.290 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 -0.439 -6.934 -2.444 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 -17.980 4.084 11.320 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 6.900 -3.164 -8.222 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 12.716 -3.397 -26.853 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 -16.716 24.971 10.255 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 0.782 0.328 -4.199 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 -7.225 -3.739 -8.242 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 18.864 -15.923 -6.134 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 2.243 -5.355 -8.231 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 8.002 -2.277 -24.454 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 -5.431 -11.566 14.694 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 -5.241 -9.488 4.085 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 19.746 1.190 -0.770 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 2.695 -31.154 10.568 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 -7.293 -1.799 7.271 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 -14.045 -3.718 -2.458 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 -9.239 -8.123 -0.746 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 -4.404 -4.775 -2.299 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 -16.468 21.620 9.244 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 -6.075 4.288 9.919 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 -9.809 2.688 -3.586 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 -2.637 -0.093 -3.545 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 -0.927 0.017 -3.374 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 -0.440 -6.953 -0.648 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 -11.350 -17.530 11.755 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 11.678 -15.374 0.898 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 -0.634 4.442 3.200 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 -12.024 -11.975 -5.779 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 -19.781 -11.656 -5.893 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 -8.364 1.974 -3.731 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 1.293 -5.393 -31.139 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 -23.860 -0.783 3.038 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 1.017 1.864 -4.100 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 15.038 -4.181 -6.639 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 -0.794 10.526 -19.756 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 -1.756 2.330 10.716 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 21.825 -0.096 -23.580 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 16.572 13.728 27.881 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 9.876 -0.665 1.085 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 6.810 13.169 -9.481 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 10.962 6.489 14.984 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 -3.938 1.740 -4.776 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 -4.186 1.358 -3.697 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 -21.112 3.918 -2.459 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 4.389 3.342 0.283 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 -12.968 44.162 2.870 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 -4.675 -3.287 -13.918 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 3.013 -3.712 -3.556 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 0.705 2.985 -9.462 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 4.615 -4.228 -3.417 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 -0.870 0.955 -0.078 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 -20.411 -7.780 5.446 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 15.286 1.248 -4.901 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 3.651 -10.472 4.802 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 9.813 1.216 8.317 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 -13.050 0.389 20.459 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 1.739 -1.101 2.368 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 -12.025 -2.284 6.502 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 -18.296 -3.974 -11.098 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 -0.543 -1.286 -1.808 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 -1.806 -3.873 -2.282 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 7.951 2.173 -17.284 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 3.776 -1.553 -0.056 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 17.253 16.387 8.957 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 -9.131 -14.805 -7.166 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 -0.618 2.791 3.099 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 -1.904 7.221 7.222 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 -7.229 13.834 6.911 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 -5.904 -2.517 2.777 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 6.298 27.394 10.825 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 -2.574 -24.721 17.667 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 -1.887 -5.421 7.679 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 -1.603 5.898 -22.816 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 -12.171 -20.091 12.327 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 -6.082 3.709 -2.292 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 -5.184 -8.918 -9.260 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 -0.407 -1.112 -16.746 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 -3.642 2.378 0.370 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 8.518 6.258 -7.117 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 -0.015 -24.528 2.346 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 1.090 3.356 1.648 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 -12.137 -6.603 6.463 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 -7.623 13.477 -6.590 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 -1.461 1.263 -1.920 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 0.238 19.448 -0.684 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 -11.162 -8.684 8.742 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 -2.405 1.337 -2.091 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 -3.578 -7.084 9.413 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 -11.391 -1.774 -15.286 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 -0.508 -0.834 1.753 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 8.955 -7.143 0.349 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 11.537 5.020 3.760 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 6.622 0.292 -3.304 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 -32.477 -17.212 -7.337 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 34.744 -25.447 21.716 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 1.451 -2.060 2.694 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 7.142 3.191 4.085 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 -3.271 -7.232 3.964 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 -1.572 -2.644 0.409 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 -3.570 19.005 2.477 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 21.434 7.656 9.251 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 -0.761 2.811 7.404 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 -17.093 18.081 19.446 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 15.229 -18.053 -17.735 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 0.796 0.274 1.449 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 -15.686 -6.669 7.253 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 -1.347 -6.255 -10.115 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 4.541 3.052 -1.005 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 6.044 5.505 -2.680 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 10.843 6.435 -7.644 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 -1.109 1.414 1.613 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 9.765 -8.164 15.749 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 -22.957 -6.455 0.396 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 0.808 7.159 -9.413 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 7.342 3.184 13.759 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 -23.348 -11.007 -17.665 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 -4.338 8.627 8.955 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 30.042 43.815 -6.879 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 30.022 -19.401 4.709 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 -8.368 6.979 3.774 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 -27.351 8.584 3.131 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 -14.617 -2.019 -7.902 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 1.545 9.147 1.055 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 -14.428 -2.034 -12.977 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 -2.075 0.050 -6.726 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 -8.446 -1.440 -8.154 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 -2.337 -10.597 11.912 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 7.501 -4.913 10.885 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 -1.138 -0.338 1.155 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 22.941 5.015 -30.831 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 2.914 -1.716 -5.440 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 -2.107 0.116 3.796 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 25.905 -23.117 12.001 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 10.956 -10.808 7.586 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 -0.689 -4.319 -1.134 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 13.711 -5.543 -33.781 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 -15.497 36.251 -27.117 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 -0.317 -0.909 -1.362 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 -15.649 -14.792 8.470 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 26.042 24.372 4.537 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 2.082 2.031 1.476 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 -21.777 2.725 12.537 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 -16.655 11.839 2.481 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 -2.445 2.155 -1.079 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 1.037 -4.577 -13.772 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 -5.566 -4.731 8.939 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 -4.466 -3.634 9.308 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 -13.754 8.443 5.703 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 -13.302 10.883 4.438 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 -0.689 -1.232 7.258 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 7.767 10.279 6.222 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 1.060 -0.192 18.571 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 -1.400 0.097 -5.157 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 13.739 14.642 17.583 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 8.047 -10.316 -4.978 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 -3.016 0.996 -1.470 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 -25.797 -23.190 3.302 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 -20.007 -14.863 5.246 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 1.060 2.286 -1.679 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 -25.776 1.361 -3.619 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 -3.826 -1.364 -26.213 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 -1.073 -10.150 4.876 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 10.534 -13.422 5.427 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 13.713 -7.557 -0.341 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 0.654 3.327 -0.987 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 -14.358 -22.870 1.070 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 -13.349 -24.499 0.097 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 0.303 -3.074 2.148 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 -18.060 24.064 -7.090 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 -10.233 -9.758 4.757 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 -0.650 0.934 -0.323 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 -13.258 10.544 -35.653 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 7.569 5.057 20.796 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 2.236 7.741 3.574 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 -1.387 -0.595 17.463 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 2.566 22.529 -30.424 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 -0.827 2.743 -2.237 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 0.531 -13.813 5.130 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 6.286 -2.772 -3.968 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 1.178 2.151 0.973 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 6.038 10.351 1.013 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 6.956 -1.483 3.381 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 -1.806 3.359 2.002 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 -17.716 17.799 -1.244 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 -13.556 9.397 2.259 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 -1.046 -3.563 -5.690 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 10.067 9.061 20.259 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 -16.511 -15.367 -12.567 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 3.331 10.292 6.517 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 -3.072 1.295 8.993 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 0.246 15.699 -4.143 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 3.332 -5.346 0.433 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 -19.029 -3.204 -13.324 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 2.137 -10.672 2.598 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 2.803 -3.781 2.995 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 23.868 14.608 0.567 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 -19.680 9.055 7.652 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 3.609 -3.305 -4.752 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 4.905 8.144 -4.590 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 9.112 -14.566 -10.239 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 3.010 -9.156 1.338 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 19.845 -2.897 11.583 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 8.464 -31.536 -4.603 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 -2.060 0.287 -1.402 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 -3.230 0.334 -19.026 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 13.266 13.624 6.291 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 8.141 0.907 -0.084 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 6.165 2.241 4.798 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 18.479 -1.187 -3.422 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 0.621 -2.317 6.188 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 -2.015 -0.753 6.692 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 0.563 3.387 10.712 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 -3.520 -0.315 0.173 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 21.144 1.705 -9.254 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 -5.346 1.941 2.014 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 -1.472 -1.377 -0.448 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 -5.808 -3.160 -1.470 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 -15.402 -9.158 -2.370 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 0.411 -6.190 -8.793 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 -0.895 -2.799 -20.732 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 -9.586 4.012 2.274 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 -0.567 0.830 4.776 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 1.666 -0.673 5.459 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 -9.073 4.196 5.149 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 1.868 2.848 -8.604 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 -16.180 -21.077 -6.338 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 -13.061 -26.366 -15.583 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 0.637 -1.914 2.753 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 3.429 -4.117 1.993 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 -2.441 -3.817 8.707 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 -1.786 0.363 -1.320 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 3.039 0.169 -3.964 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 -14.627 -1.339 -4.406 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 1.038 0.191 5.906 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 13.843 -0.829 -22.765 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 -0.702 13.421 22.184 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 1.964 1.805 6.415 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 -12.533 17.145 0.241 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 -5.172 -12.287 -11.979 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 3.850 3.892 -2.535 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 7.628 23.235 -37.112 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 29.014 3.902 -13.598 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 -0.300 4.555 0.099 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 13.020 25.375 -16.146 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 -2.114 16.488 26.924 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 -0.993 0.634 1.321 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 -9.573 14.443 -16.378 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 11.572 -0.524 8.223 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 -7.828 5.482 4.349 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 26.540 -10.942 15.430 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 -34.827 15.053 4.553 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 -8.288 -4.575 3.079 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 -3.318 12.394 -1.885 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 -1.751 -6.019 7.281 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 2.445 7.202 -0.236 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 -4.928 9.172 1.566 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 19.846 2.951 10.479 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 -0.587 -3.681 -5.308 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 -12.707 1.761 32.489 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 24.421 24.474 -9.557 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 -1.815 2.073 5.307 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 -5.254 4.857 9.810 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 -6.790 6.559 11.613 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 1.660 2.789 0.061 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 -3.139 0.440 3.487 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 -8.939 -0.835 4.136 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 -3.073 -1.548 -4.784 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 14.781 22.534 -4.776 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 -17.004 1.870 10.620 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 3.265 -3.532 -2.024 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 -8.347 -24.298 -21.788 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 6.765 -17.172 5.324 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 -0.332 6.556 -3.742 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 -8.017 20.432 9.134 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 -0.180 12.555 -5.133 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 1.164 2.879 3.288 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 0.279 -5.107 4.379 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 1.075 0.830 4.184 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 6.388 -6.156 9.130 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 8.118 -16.590 7.149 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 9.541 -6.106 13.042 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 -2.002 0.428 5.161 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 10.276 14.367 2.577 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 5.476 15.014 3.090 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 4.075 1.028 -1.711 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 3.451 11.154 -16.768 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 -5.482 5.233 6.977 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 3.466 -0.703 -0.078 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 0.907 -2.423 -3.382 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 -0.828 -3.916 -4.819 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 -2.039 -8.465 -4.124 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 -9.362 -18.971 -8.528 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 4.664 -7.923 2.307 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 3.584 -1.637 5.516 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 13.936 2.383 20.170 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 4.648 -8.011 9.545 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 4.366 -3.550 0.316 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 -16.347 13.590 1.601 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 6.672 2.931 -6.706 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 -0.679 -0.344 3.400 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 -14.760 -3.144 -22.951 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 -12.883 23.703 15.553 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 -2.192 4.027 -1.059 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 -15.207 11.678 4.794 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 -19.865 5.799 -7.149 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 -7.535 -2.224 4.687 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 -10.350 13.020 16.503 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 -11.100 -10.845 7.238 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 -4.882 -5.564 -1.014 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 13.227 -9.192 -1.144 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 7.654 15.724 4.930 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 -0.654 1.700 -5.777 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 11.487 3.354 3.962 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 4.752 -0.199 4.737 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 4.305 1.346 -4.441 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 4.641 17.930 23.934 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 -7.661 -5.583 0.719 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 -1.472 3.757 3.063 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 -3.586 2.135 2.918 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 -0.172 0.007 -1.177 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 -1.750 -1.632 0.671 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 6.097 -15.151 -10.757 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 -7.826 -5.540 1.904 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 2.122 -0.496 0.504 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 -9.262 -0.625 7.878 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 31.276 2.426 8.182 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 2.411 3.206 -4.795 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 23.998 3.388 18.549 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 -11.580 3.348 -18.559 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 0.808 -3.397 -0.702 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 3.106 5.615 -2.388 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 20.455 -5.130 -19.136 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 3.353 1.410 -3.074 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 12.078 7.173 8.425 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 -6.882 -8.379 -14.461 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 -0.102 0.640 2.872 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 5.875 -6.690 21.416 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 24.011 -7.357 27.343 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 -0.529 -4.865 3.507 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 -8.873 -6.581 11.357 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 3.509 6.426 -3.574 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 2.510 3.069 -4.382 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 -6.561 13.849 -11.112 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 4.882 -21.504 2.360 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 -6.659 -0.267 4.760 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 -9.673 -7.848 10.207 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 0.660 -1.081 -26.117 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 -1.307 2.656 0.490 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 -25.951 13.696 -14.353 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 -16.702 -19.296 -0.825 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 7.057 -5.458 -0.143 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 16.667 -15.659 7.944 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 -10.237 -8.018 2.704 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 0.902 1.425 0.258 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 1.394 -2.956 10.254 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 -10.462 -10.608 5.907 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 0.271 -1.545 7.405 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 11.332 23.899 11.262 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 -3.202 -13.053 0.819 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 -1.407 -3.292 0.056 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 2.525 -7.034 12.671 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 3.507 -0.234 -7.121 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 -2.370 -2.437 -5.552 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 -0.489 -16.908 -3.988 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 2.272 -2.960 -24.806 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 4.567 -0.610 7.123 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 3.792 -6.256 6.570 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 6.770 6.258 5.652 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 3.785 -1.119 -4.682 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 4.744 25.688 3.141 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 9.217 -3.371 -23.782 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 -6.429 -2.251 6.530 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 -8.938 4.746 8.156 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 9.227 -4.868 -2.814 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 -2.296 -2.812 2.123 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 23.423 -1.299 12.078 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 9.954 -10.840 31.007 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 -0.773 -0.431 -5.660 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 -0.747 -10.300 -5.025 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 -32.825 -7.967 -6.459 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 0.350 -4.358 -6.610 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 -12.862 -18.105 -1.718 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 -1.741 -8.955 -13.021 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 2.771 -3.601 3.460 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 21.468 1.981 1.418 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 -0.184 -4.578 4.983 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 -0.122 -5.187 -0.269 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 -4.039 -19.354 -18.245 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 -24.309 -29.741 -4.704 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 2.294 2.038 3.585 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 11.862 -1.542 4.326 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 -19.353 4.006 -4.847 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 -2.775 -1.019 -4.389 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 -2.235 2.205 -6.655 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 4.970 1.088 -8.908 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 -3.655 5.721 2.875 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 3.490 -2.246 7.796 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 -3.954 1.341 -0.966 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 -4.896 8.969 -2.013 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 -2.053 24.213 -3.492 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 2.928 -0.858 -2.444 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 0.343 -5.102 -1.290 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 2.882 -19.340 -0.479 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 -12.723 -4.315 4.704 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 0.480 1.280 -3.398 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 -1.142 17.161 -5.776 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 8.258 -11.993 1.293 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 4.058 2.223 3.454 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 -3.836 -2.821 2.243 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 6.857 0.386 14.150 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 7.831 0.845 -0.748 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 -3.875 4.315 3.879 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 13.904 10.569 -0.961 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 -2.006 0.754 8.354 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 -1.462 -14.615 8.828 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 -13.312 -27.574 -11.416 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 0.284 0.155 -6.294 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 -14.716 14.145 2.730 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 -4.661 -6.002 -2.600 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 4.779 -3.405 0.005 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 -3.211 2.318 -15.298 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 -8.179 -4.934 2.532 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 1.232 -5.464 3.499 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 -20.126 6.240 4.257 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 11.156 8.633 23.544 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 -0.006 -0.002 4.003 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 -14.193 -25.299 -5.597 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 -3.905 -25.225 -4.490 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 3.792 7.760 -5.129 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 8.054 10.453 -8.289 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 -25.187 3.992 -6.981 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 7.195 -4.724 4.878 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 1.547 -9.016 -2.451 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 2.582 -8.179 -1.182 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 -2.256 3.693 -2.403 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 3.054 1.486 5.245 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 -4.912 9.569 2.001 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 6.809 -1.127 -6.831 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 -11.498 7.128 -16.585 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 -5.788 -8.569 -8.523 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 2.089 3.408 4.440 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 -10.431 5.530 4.808 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 0.602 8.650 18.149 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 -0.077 0.521 8.682 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 7.040 -2.425 5.442 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 6.922 3.236 -7.530 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 -1.937 6.537 3.520 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 5.109 8.261 2.034 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 -11.073 -2.341 -1.567 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 2.425 -6.003 0.696 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 -19.241 -9.161 -27.247 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 12.112 25.033 4.672 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 4.198 -8.904 1.617 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 -33.313 -9.897 2.613 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 16.877 23.364 -12.414 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 3.318 -2.869 9.260 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 -5.926 -5.220 -0.584 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 0.916 -7.935 -5.227 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 -4.266 12.000 -7.149 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 3.310 4.476 -9.942 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 -3.982 -2.823 -5.552 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 -4.956 -7.772 3.653 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 -36.450 -10.525 2.779 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 14.445 -6.682 -6.513 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 1.520 6.303 4.011 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 20.785 -12.248 27.141 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 19.160 11.555 -15.217 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 8.045 -1.688 0.359 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 12.411 -8.050 -2.390 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 13.192 4.462 2.478 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 0.680 0.090 -4.392 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 22.132 -3.035 1.845 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 26.513 16.534 28.127 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 3.968 1.229 -8.500 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 5.124 2.414 -2.617 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 -2.331 18.108 1.592 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 -0.856 6.507 6.483 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 17.135 -13.022 -9.843 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 -10.510 28.863 -14.639 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 3.968 1.127 -1.435 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 31.416 -25.135 32.954 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 25.761 -13.371 -17.463 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 -10.881 -3.030 3.082 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 1.273 -0.115 7.339 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 -13.623 -4.803 1.382 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 3.029 -1.038 1.808 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 2.375 -0.716 0.680 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 6.308 2.447 -12.702 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 2.079 2.155 2.514 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 6.516 7.396 -3.140 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 0.623 -19.860 0.662 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 3.608 7.567 5.649 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 -7.136 -1.078 -19.099 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 18.309 5.506 -1.381 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 7.916 -1.774 0.114 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 -29.287 4.593 0.252 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 -23.930 4.368 4.205 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 -4.438 3.642 1.295 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 -13.471 -13.271 2.219 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 5.165 7.361 6.860 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 4.657 -1.074 -6.244 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 -1.082 1.020 -4.098 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 8.079 3.278 -10.442 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 -3.631 -4.502 -8.193 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 -7.826 -2.879 -13.115 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 -7.226 -14.212 -4.227 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 4.275 0.807 4.658 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 14.689 5.074 14.568 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 4.776 -14.866 2.311 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 5.100 -5.211 1.073 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 -15.419 13.621 13.219 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 -1.451 -2.933 3.513 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 -6.193 4.208 -6.525 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 -17.444 -10.549 -18.221 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 -11.197 -9.659 2.857 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 9.787 -3.043 -3.060 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 -1.709 13.613 4.445 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 11.479 -3.992 -3.791 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 -0.008 -2.375 -2.286 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 -2.236 24.966 4.403 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 -8.330 2.013 -30.086 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 -1.315 9.964 6.085 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 4.829 13.344 -0.407 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 5.856 14.074 -1.438 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 -6.065 1.786 2.500 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 3.837 24.058 -5.864 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 -10.467 7.334 11.509 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 1.898 6.716 -7.614 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 9.088 5.133 -2.683 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 -29.780 16.969 -15.967 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 2.517 1.516 -2.749 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 6.492 3.301 8.900 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 8.632 -1.857 -0.724 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 -0.239 -1.259 1.961 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 3.146 2.285 11.369 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 -11.482 -3.122 3.584 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 -4.838 1.928 -6.462 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 9.382 -1.366 -24.597 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 6.341 -2.709 28.471 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 -4.162 -3.744 3.777 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 -2.250 -6.519 -5.939 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 -7.206 13.492 6.667 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 -4.083 -0.151 3.075 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 -13.519 -1.924 -0.584 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 19.821 18.459 26.006 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 -0.963 -0.465 -0.675 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 5.441 9.098 5.726 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 3.617 -0.103 -12.046 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 1.608 -1.280 -1.290 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 10.720 2.542 6.321 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 -6.165 -2.573 -7.285 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 -0.500 -2.297 0.159 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 -11.869 17.756 -0.069 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 5.931 5.643 -14.117 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 5.471 2.191 3.438 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 -8.261 10.469 1.408 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 -8.766 12.545 -1.031 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 -0.265 3.200 -3.709 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 11.992 -2.819 1.123 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 -14.208 -19.194 -2.605 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 -4.846 -6.568 3.020 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 -4.910 -4.413 6.386 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 -0.587 -6.268 0.863 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 -0.920 1.922 1.599 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 14.057 -1.000 -2.930 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 -16.670 4.043 15.846 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 1.951 -3.325 -3.236 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 -1.678 -9.968 -6.428 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 -1.009 -4.671 3.236 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 -6.502 4.960 10.980 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 -4.240 4.419 6.259 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 26.174 11.019 -32.508 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 -2.445 -1.387 -3.140 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 9.084 2.448 -14.693 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 -8.639 -7.859 -3.896 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 -3.749 -5.563 -3.548 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 -2.932 -2.387 -34.332 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 15.902 1.010 22.553 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 10.670 0.805 2.272 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 20.885 -8.937 -8.712 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 -4.706 -0.498 -5.215 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 -3.036 3.526 -5.688 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 -3.009 29.907 -8.749 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 19.332 -3.955 -3.727 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 -0.711 -2.301 1.800 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 0.450 -14.687 1.902 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 -1.407 -1.691 12.422 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 4.292 2.075 -1.024 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 1.615 1.370 5.432 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 -3.289 8.200 -14.031 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 1.496 3.788 3.720 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 -5.284 3.392 5.311 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 3.945 0.912 12.809 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 -0.842 -5.675 1.948 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 11.106 -1.134 22.466 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 4.321 3.681 0.943 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 1.866 -0.130 -5.407 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 10.355 10.914 -3.679 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 -20.642 7.490 2.102 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 -0.123 8.220 -7.410 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 -17.969 -0.963 -4.190 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 19.579 13.287 -7.432 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 4.155 4.130 1.638 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 28.159 -14.245 -1.060 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 1.034 -5.018 -17.799 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 3.772 5.398 9.714 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 -3.155 1.383 -9.285 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 1.356 4.473 2.400 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 1.278 -7.719 -2.469 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 3.905 -2.798 -14.817 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 4.186 -10.553 -11.098 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 0.578 -4.513 -0.505 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 26.060 -3.816 22.027 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 5.877 -5.933 7.124 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 0.724 3.445 -0.366 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 -4.046 1.781 1.404 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 -8.284 -6.354 -1.636 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 6.048 7.922 -6.828 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 -4.682 12.345 -12.368 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 7.371 -16.110 -12.545 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 -0.504 -0.085 -2.564 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 7.276 -10.620 -6.878 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 -2.241 0.771 -11.298 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 2.514 -0.943 2.699 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 5.152 0.597 8.991 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 6.125 0.234 11.474 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 2.979 -0.777 -5.261 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 -1.883 -10.787 2.627 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 3.928 -4.994 -17.296 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 -2.403 2.363 2.004 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 -11.772 -9.013 -0.567 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 21.426 5.280 -12.609 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 -0.956 -7.383 1.140 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 5.577 -17.603 1.685 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 2.557 -14.885 -0.776 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 8.095 -1.784 -2.289 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 28.420 -16.553 20.026 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 7.703 21.135 -20.898 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 -3.402 4.051 -1.050 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 -17.237 9.667 -9.950 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 16.415 23.629 0.675 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 -1.174 -7.969 2.845 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 12.569 -11.686 7.318 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 -0.272 -4.730 -10.444 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 -0.356 -2.418 -1.988 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 -4.511 -1.894 19.008 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 -3.190 5.940 -11.162 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 1.375 -2.194 -0.519 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 -3.391 -6.256 -13.758 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 0.533 -0.318 -6.550 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 2.181 0.882 -3.845 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 -8.649 -4.836 8.115 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 11.954 21.867 4.098 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 -1.222 7.445 -0.304 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 -24.078 -1.305 16.203 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 -9.549 -6.201 12.180 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 1.552 2.057 0.412 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 -13.884 -33.576 -13.218 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 2.368 -3.546 0.392 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 -5.171 -2.637 0.069 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 13.261 16.777 22.076 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 -3.822 -20.333 -4.306 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 -2.369 -1.138 2.929 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 0.664 0.201 5.955 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 -1.520 -0.481 3.412 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 4.347 0.308 -0.981 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 -9.338 -6.404 -4.514 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 -2.250 9.023 -11.657 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 6.690 6.658 -0.119 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 4.550 -2.684 3.161 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 -2.948 -6.729 0.239 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 -1.584 2.180 -7.181 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 3.512 3.999 0.918 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 37.319 8.487 -7.334 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 0.028 5.320 0.978 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 -1.302 14.984 3.278 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 -1.501 -4.188 -2.406 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 6.229 -4.902 0.422 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 21.407 1.201 6.065 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 -28.847 29.327 -14.522 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 -4.909 9.905 1.598 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 -7.946 -2.778 -1.367 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 -8.001 17.946 -3.060 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 4.723 0.930 3.949 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 -1.434 -14.806 2.425 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 4.285 -13.229 -2.477 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 -0.083 -0.767 0.806 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 -14.915 8.855 -17.585 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 -3.579 8.303 -6.707 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 -0.036 -1.712 2.890 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 1.333 -9.733 17.279 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 -2.907 -11.990 1.345 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 -0.029 -7.387 8.344 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 7.285 -5.001 -12.144 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 -8.047 -3.360 19.233 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 2.990 4.495 1.777 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 14.779 4.049 10.866 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 -0.082 18.701 11.328 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 2.836 -2.244 -0.900 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 -25.145 10.894 -10.683 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 14.385 17.792 15.352 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 0.221 3.078 -2.451 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 -5.229 6.794 -3.098 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 4.209 10.354 11.471 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 -3.301 4.510 -0.198 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 5.924 -12.321 -5.969 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 -8.199 6.551 3.565 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 8.797 0.958 -6.871 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 13.432 17.201 -8.302 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 24.035 17.172 -13.354 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 -3.190 -2.565 -6.249 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 -3.188 9.732 18.492 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 6.318 14.285 -14.592 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 2.857 1.959 2.117 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 -6.124 1.919 -2.019 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 -10.657 2.939 -9.999 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 -0.480 -5.073 1.729 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 15.673 -23.421 9.612 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 -16.330 -18.625 9.008 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 0.464 -2.242 2.953 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 18.913 4.478 -19.128 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 2.335 -1.375 4.117 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 0.983 -1.793 1.013 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 15.965 -13.696 14.873 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 -32.734 8.979 -11.864 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 -5.662 6.891 -4.384 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 11.362 10.065 19.338 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 -4.929 -14.934 -4.181 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 -6.725 -5.707 -3.771 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 -2.503 -5.765 -6.230 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 -28.633 -10.519 14.057 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 -7.950 -1.925 8.041 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 5.354 -6.010 -21.942 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 3.255 19.919 -23.310 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 -9.098 -2.607 -5.771 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 -7.983 -4.744 -4.631 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 -2.659 3.940 1.413 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 2.069 -5.140 -2.402 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 -4.255 -1.089 -2.653 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 2.482 -8.255 -8.322 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 -0.781 -0.573 0.985 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 -14.865 -18.524 -11.201 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 -11.319 7.436 -5.146 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 -6.422 -1.871 -4.306 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 -1.671 25.588 -3.906 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 -29.609 -15.519 -20.618 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 1.542 0.936 5.574 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 -9.879 -2.269 -4.669 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 11.848 -14.207 14.217 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 3.909 -1.303 -1.290 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 -15.052 12.541 9.789 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 20.939 0.157 -4.554 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 -8.422 -0.121 -5.081 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 -3.946 -1.327 -2.042 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 -5.189 0.135 -2.151 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 -0.718 4.174 -4.432 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 25.177 -2.649 -26.771 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 3.834 43.395 -0.635 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 4.117 -9.086 5.059 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 2.514 -1.316 0.179 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 4.387 -14.599 -0.099 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 -3.760 2.115 -5.136 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 -8.639 8.940 12.867 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 32.822 -20.942 -21.553 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 5.275 -0.252 -6.587 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 15.724 -1.370 -1.212 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 4.622 6.490 -7.551 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 1.513 -2.122 5.321 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 0.003 -1.773 3.758 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 -16.659 1.815 -16.631 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 3.469 -7.395 -4.559 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 4.300 8.732 -36.707 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 17.308 -12.089 -36.160 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 -2.113 6.808 7.150 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 5.453 7.898 3.678 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 -6.355 0.722 1.542 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 -5.014 2.663 0.396 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 1.097 15.532 -14.344 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 -1.953 2.078 4.558 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 -4.606 -4.485 -4.793 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 8.964 -0.405 -1.590 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 -8.748 38.901 -4.536 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 4.831 -1.583 -0.312 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 9.607 -15.786 20.530 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 6.203 -6.445 5.515 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 -1.975 2.692 2.274 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 -0.491 -15.602 20.456 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 10.132 -7.366 -19.032 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 2.586 -6.683 1.492 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 5.026 -11.600 -12.855 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 -3.492 2.753 30.271 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 -6.725 1.702 -0.178 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 -18.766 -2.726 4.016 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 -9.136 -8.380 -37.434 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 -3.277 4.272 -5.907 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 9.938 -3.546 -6.533 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 -13.378 5.589 -15.862 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 -3.222 -5.403 4.448 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 11.247 -11.715 7.779 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 -9.623 -15.677 -15.758 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 -3.518 10.546 4.068 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 22.248 7.696 -2.348 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 13.637 7.950 -9.731 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 2.573 -0.318 -7.783 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 0.075 7.247 -27.077 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 -1.478 -11.996 15.165 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 -11.806 11.448 -9.312 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 -10.270 9.645 -7.956 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 12.877 8.045 32.655 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 3.837 -0.696 1.561 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 4.093 8.795 6.633 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 8.942 -6.822 12.398 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 1.093 -3.626 -6.114 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 9.970 -9.316 7.848 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 14.286 -0.031 -17.081 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 9.981 -0.102 -3.968 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 1.633 -4.348 14.915 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 11.618 -0.305 -9.198 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 7.638 -2.918 6.483 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 22.197 -8.360 2.217 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 3.230 1.631 8.789 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 4.202 1.575 -6.757 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 11.470 -6.983 -16.324 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 13.737 13.733 -4.143 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 3.662 3.743 -5.221 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 2.834 5.992 -4.798 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 -2.131 30.283 -8.743 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 6.107 1.807 8.540 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 0.749 -8.630 8.289 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 -5.222 12.757 9.345 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 -0.023 4.348 2.518 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 -3.861 3.478 -0.752 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 4.672 -1.062 4.438 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 0.944 -0.324 4.291 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 1.116 -13.270 15.330 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 15.024 8.209 33.750 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 -7.194 -2.407 -4.267 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 -1.990 12.319 -16.613 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 8.889 -11.027 -14.306 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 5.474 -1.339 5.002 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 -7.506 -3.970 13.356 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 25.928 -8.120 9.046 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 6.189 2.324 3.676 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 12.815 1.846 1.342 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 16.636 9.468 10.704 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 -3.450 -9.811 -3.348 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 1.725 16.766 11.775 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 -1.628 1.745 2.309 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 -0.468 7.351 -0.093 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 10.170 -23.016 10.845 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 7.406 -7.477 1.459 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 0.873 2.021 -3.776 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 -12.608 -3.879 -1.856 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 -1.263 -3.235 -6.857 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 -3.257 -5.807 1.348 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 5.911 3.326 -16.708 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 12.325 7.786 -4.873 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 2.171 -1.154 -2.064 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 -9.851 -4.111 -0.794 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 5.094 -2.046 14.189 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 -0.829 -5.424 -5.886 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 -10.864 12.194 -13.076 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 -18.429 2.831 -10.448 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 -2.191 11.333 1.941 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 -16.624 4.528 8.898 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 6.063 -3.798 -4.056 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 -0.297 2.434 -0.102 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 10.627 -2.755 8.229 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 -1.170 -1.767 5.493 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 -10.401 -2.870 3.656 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 -16.996 -6.538 21.853 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 -16.258 29.042 -25.293 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 -2.660 1.068 -0.292 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 7.576 4.095 -21.027 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 -7.691 -24.260 -11.017 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 -6.930 -2.679 1.355 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 -5.876 -2.946 0.833 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 -7.751 -1.899 2.003 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 1.193 7.412 1.349 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 -5.598 6.459 7.774 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 -2.976 8.562 -5.761 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 -9.436 1.909 1.853 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 6.385 4.877 -14.705 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 2.851 8.021 4.746 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 -3.557 6.901 2.722 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 -20.243 9.920 -19.819 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 -16.201 2.822 18.351 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 -2.670 -0.370 -1.730 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 14.544 -12.389 -7.955 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 -0.895 9.745 -19.477 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 5.610 -7.822 -0.186 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 -7.152 13.188 -7.733 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 -20.556 -0.505 -21.938 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 3.853 3.722 4.484 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 -11.203 21.658 27.413 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 -1.440 9.433 11.042 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 -1.465 1.085 -2.153 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 -13.729 11.332 9.157 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 -9.734 -4.526 4.080 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 1.190 0.120 -2.107 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 6.778 -8.146 6.929 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 -12.787 4.879 -12.583 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 -0.401 4.267 3.112 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 1.334 -9.178 46.227 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 -10.644 5.738 15.945 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 0.131 6.462 -4.796 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 7.454 -26.557 -32.942 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 -10.951 16.468 -0.831 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 -4.373 0.685 7.378 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 3.896 -12.667 16.533 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 16.814 1.856 2.853 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 2.621 -1.854 0.094 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 2.321 -2.993 19.239 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 5.664 5.445 8.015 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 4.632 4.503 4.926 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 0.829 -10.776 11.535 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 -11.398 17.295 11.737 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 -2.278 0.179 2.628 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 -2.562 -2.740 1.597 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 -3.078 -3.369 -3.407 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 -3.017 0.968 4.770 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 0.020 16.272 15.614 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 -2.394 8.187 7.424 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 1.191 -6.374 3.024 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 4.946 13.616 -8.191 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 5.021 1.494 -10.411 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 6.276 -6.060 -2.608 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 17.342 28.563 -4.416 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 -26.182 -3.106 -8.809 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 0.265 0.280 4.857 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 8.061 -4.660 -3.919 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 -27.668 4.483 -13.197 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 2.828 -6.140 2.142 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 -1.215 -38.962 -4.708 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 7.046 -18.262 -9.598 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 0.388 2.692 0.001 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 -2.781 -2.058 4.281 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 -0.825 -3.475 5.153 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 -0.594 6.212 -3.726 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 7.924 17.618 6.313 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 3.217 3.654 -1.980 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 3.609 1.413 -1.102 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 -13.340 -5.244 -0.866 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 0.990 -8.016 -0.092 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 -4.292 4.520 0.139 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 -6.850 -3.463 2.456 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 8.583 28.602 -4.406 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 2.244 -1.154 2.454 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 12.209 9.644 -9.644 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 5.038 7.511 13.924 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 0.938 -4.501 6.823 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 16.918 -10.594 1.949 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 8.247 5.972 -16.646 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 5.847 8.386 2.791 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 4.161 9.199 -1.269 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 3.448 1.335 -2.830 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 0.700 -6.686 -5.050 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 16.226 8.891 15.740 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 9.616 -8.959 8.336 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 2.681 -0.325 0.044 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 13.673 -9.816 4.138 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 -25.793 -0.045 19.988 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 6.435 -0.290 -1.990 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 1.248 -7.224 3.410 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 5.625 11.186 -2.001 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 2.991 -0.668 -0.502 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 9.576 23.424 5.745 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 10.451 13.225 0.719 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 -4.268 7.881 10.872 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 -27.403 20.097 8.759 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 -6.655 28.986 1.888 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 7.284 1.832 2.896 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 -18.686 -2.252 3.380 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 -2.308 5.979 5.985 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 1.861 0.034 3.433 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 21.886 19.447 1.748 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 -2.179 -16.091 12.707 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 -2.907 4.330 2.451 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 5.330 -12.530 13.194 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 -15.035 2.366 -2.894 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 0.892 -4.756 -2.939 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 14.126 -15.849 -25.535 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 -9.385 -2.886 20.325 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 1.193 3.498 1.322 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 0.312 15.399 -17.746 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 -0.019 2.652 1.896 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 -4.030 -6.624 3.294 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 4.723 6.817 3.269 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 -10.890 -2.506 10.619 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 1.798 -1.601 3.034 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 0.482 -13.182 -6.592 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 -4.805 1.577 15.169 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 6.266 -4.537 -7.402 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 5.621 -2.374 8.642 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 -9.446 -7.911 0.256 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 -3.003 -3.033 3.916 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 3.637 -2.887 1.146 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 -25.426 8.888 -5.400 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 -4.125 0.675 11.012 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 -11.747 -3.059 9.407 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 -2.913 -4.336 6.709 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 -1.580 1.511 -4.272 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 1.028 -13.233 -0.670 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 3.451 9.223 -11.891 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 2.479 -0.434 -0.326 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 -25.625 0.366 -15.858 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 8.753 4.052 -16.113 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 6.266 -2.529 -0.685 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 -5.025 -0.799 7.854 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 8.641 0.473 13.596 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 0.479 -3.367 1.830 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 -8.283 14.691 -1.832 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 1.859 -8.866 -7.515 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 6.666 -3.429 5.826 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 10.880 -0.781 8.735 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 3.647 3.299 -3.171 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 8.137 -0.934 3.809 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 17.172 -0.301 27.858 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 10.358 -9.897 13.705 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 0.928 1.626 4.772 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 2.709 -19.522 -12.629 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 -9.723 17.866 26.885 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 -0.787 -4.611 -7.564 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 -14.237 3.229 -15.414 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 -2.980 -13.881 -6.231 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 4.803 -3.655 -0.254 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 13.535 -2.815 -4.730 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 -3.179 2.897 -2.147 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 0.239 -6.584 -3.800 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 4.041 -15.029 -12.948 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 14.674 2.411 -11.704 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 1.823 -2.136 5.783 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 13.111 -9.090 0.491 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 11.001 -2.921 3.744 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 14.043 -2.457 0.947 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 15.824 -2.932 15.258 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 1.124 -7.153 5.627 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 -2.774 -2.424 1.797 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 -2.831 -14.168 -14.913 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 -15.997 -15.272 3.702 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 -3.682 0.232 -5.356 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 1.515 -1.744 9.627 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 1.934 -3.490 -23.706 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 -0.117 6.291 5.641 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 6.251 3.278 5.965 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 -0.294 10.722 0.498 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 5.236 -1.471 1.512 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 4.555 -16.212 -4.886 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 6.302 29.186 23.500 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 2.094 5.099 1.640 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 -10.902 -5.582 14.196 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 -3.207 -0.268 -15.519 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 3.353 -0.052 1.687 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 -2.573 -12.899 -6.573 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 8.265 -5.078 16.031 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 -3.195 4.987 -2.711 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 -14.975 -12.011 6.617 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 -10.858 0.813 -14.096 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 -5.996 -0.676 0.929 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 -26.827 5.576 -4.252 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 -14.718 4.704 -4.468 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 3.774 0.066 -2.953 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 -17.094 11.534 1.644 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 5.058 -0.672 -2.533 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 -7.280 2.423 -2.484 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 -10.632 14.298 -10.754 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 12.941 1.593 12.072 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 -7.807 -6.434 8.604 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 3.948 -11.525 0.534 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 20.917 5.423 -6.260 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 -1.943 -3.375 0.144 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 3.065 15.899 -10.688 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 17.217 5.923 12.580 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 -2.514 0.456 -3.996 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 -3.195 18.147 20.295 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 5.553 6.272 14.714 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 4.131 3.464 -0.497 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 -10.379 4.486 0.706 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 -41.177 3.619 -7.927 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 3.671 4.065 -2.217 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 36.191 17.661 -5.553 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 9.124 14.675 23.783 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 1.245 6.790 4.492 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 29.227 32.612 -2.081 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 5.640 -3.392 -9.126 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 4.813 -1.411 0.457 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 6.690 -5.151 -4.772 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 -6.389 0.229 8.287 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 -0.213 3.077 8.300 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 3.477 -20.564 10.234 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 -22.828 5.269 10.087 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 5.529 1.122 3.248 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 1.780 1.049 1.354 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 7.923 3.681 7.090 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 2.780 -1.746 -6.193 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 -2.196 4.629 -0.532 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 -3.561 6.320 -1.014 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 -1.960 -4.274 4.301 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 11.473 3.342 7.060 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 -12.588 -18.169 -5.039 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 -3.080 -6.754 -0.581 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 -3.526 14.560 7.270 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 4.310 -2.170 -1.980 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 -0.902 -0.271 3.508 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 6.330 -15.865 2.485 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 0.426 6.656 -15.036 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 -3.402 1.773 -2.537 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 29.674 8.368 3.893 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 -23.354 8.699 -10.014 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 3.060 3.049 -0.912 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 -6.220 2.386 0.430 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 3.183 7.610 -2.059 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 -3.622 -4.627 0.559 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 27.760 -6.481 18.923 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 -0.409 -4.688 0.400 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 -6.411 -1.576 -1.494 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 -2.327 13.525 -0.787 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 -7.764 -19.072 -5.663 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 -4.566 -0.950 8.806 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 -8.033 7.451 5.514 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 0.937 -3.513 0.587 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 -0.492 2.876 7.452 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 11.670 -12.426 -6.577 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 13.393 20.147 15.866 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 0.101 0.483 0.348 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 14.105 -1.860 -2.533 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 5.399 17.318 4.106 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 1.063 2.256 4.817 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 9.792 -8.949 4.580 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 -6.153 2.819 3.287 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 -6.792 5.116 -4.854 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 6.846 17.392 -14.865 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 14.536 13.879 -17.305 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 4.425 -0.503 1.722 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 3.250 12.650 7.313 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 -17.346 -0.298 16.294 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 1.114 3.149 2.188 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 -5.201 -15.690 -29.162 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 7.361 17.102 28.508 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 0.003 7.838 6.071 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 14.846 -4.736 14.458 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 13.725 37.258 5.698 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 -0.560 0.813 0.651 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 -3.812 6.115 -7.460 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 -6.979 1.714 7.095 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 6.045 -6.384 4.581 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 9.083 12.563 -7.501 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 -18.256 -21.866 13.738 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 -0.643 3.057 3.674 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 -6.856 -2.990 21.001 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 2.980 -8.312 17.504 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 -0.725 2.951 2.844 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 -17.665 -1.969 -5.106 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 19.425 5.042 26.071 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 4.657 0.878 -0.010 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 -15.735 -15.780 13.303 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 -12.547 -2.370 1.042 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 -0.626 0.119 -6.334 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 -23.341 3.280 7.130 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 -14.264 0.198 22.152 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 -5.215 -0.559 -6.018 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 -23.144 3.102 2.428 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 -4.511 14.025 -6.632 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 -4.189 -6.376 -3.330 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 1.460 4.509 2.597 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 -8.259 -8.645 9.976 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 -1.241 -0.192 5.174 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 -7.445 3.575 23.521 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 -4.085 0.791 -17.201 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 2.887 9.517 -0.082 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 -13.719 -6.424 -16.593 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 3.818 -0.902 -4.702 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 2.375 -2.553 -2.126 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 6.132 -7.399 15.199 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 10.993 -1.466 28.912 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 -1.459 -0.183 -5.502 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 17.755 15.005 5.637 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 15.416 11.935 -2.244 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 -6.255 8.764 -3.860 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 0.592 5.061 -7.815 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 -1.730 -15.303 -13.173 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 -3.663 2.386 3.994 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 6.024 -21.138 13.384 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 18.990 9.216 -0.452 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 2.397 0.646 1.581 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 -3.507 12.036 -4.940 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 -12.962 2.128 5.649 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 -1.670 7.153 -1.541 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 0.126 1.762 9.696 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 5.008 4.061 -11.167 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 3.368 6.572 6.536 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 20.283 -29.747 5.667 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 1.667 22.820 28.916 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 -4.926 -3.828 0.146 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 -6.286 -9.604 6.008 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 3.461 -14.441 -8.137 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 6.137 3.751 -1.812 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 -13.709 9.828 2.793 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 3.038 0.183 -7.311 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 6.612 2.738 -4.760 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 1.049 -23.407 -5.029 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 9.148 0.045 -2.715 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 -8.867 1.593 -0.055 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 -6.232 4.127 5.379 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 -0.409 -30.584 6.324 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 -1.061 -3.504 -5.744 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 -2.309 -2.874 -9.964 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 0.866 -4.094 5.397 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 1.736 6.268 -5.716 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 8.810 6.457 -5.615 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 0.680 10.774 -5.248 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 -6.923 -0.223 -4.936 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 7.425 16.342 -20.048 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 11.755 -2.170 11.935 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 -2.332 6.470 -2.023 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 8.367 6.463 19.259 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 -2.937 6.945 -13.957 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 1.178 4.268 1.061 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 -4.784 10.444 6.495 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 1.460 -11.647 13.401 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 -0.763 -10.251 1.763 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 -1.995 12.714 11.873 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 1.083 2.106 3.684 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 6.474 2.690 -3.186 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 -7.592 0.826 -5.812 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 3.846 10.191 4.864 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 -1.557 2.183 -2.560 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 -3.020 -1.435 -2.260 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 -3.703 2.406 0.008 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 6.974 -0.725 -0.818 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 13.335 -14.101 3.267 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 4.829 8.431 -5.783 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 0.839 -3.375 4.830 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 -3.650 -2.821 -4.228 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 -6.613 -35.155 4.404 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 3.120 -0.444 2.725 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 0.125 -2.819 15.689 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 -7.455 -9.163 -6.791 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 8.051 0.020 -2.895 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 20.231 -4.692 4.390 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 -2.799 -3.518 7.012 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 2.147 4.424 -7.258 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 -1.477 0.307 -9.236 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 -9.366 17.847 14.844 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 -8.039 -8.831 -1.998 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 -8.759 3.153 18.084 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 14.616 -9.746 -7.442 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 5.320 -6.377 2.263 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 1.347 -3.474 3.153 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 10.035 -8.160 8.809 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 -2.464 -6.871 3.774 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 5.492 -9.489 -1.687 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 -7.467 -0.536 -1.842 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 0.072 1.732 2.416 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 0.705 6.718 -15.453 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 9.465 13.867 5.650 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 2.007 -3.662 -0.730 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 -25.399 26.933 7.751 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 -20.966 -21.030 -17.365 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 3.920 -2.092 -2.443 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 -5.575 -24.988 -6.146 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 -3.173 -20.188 -2.928 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 5.747 1.894 1.660 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 11.723 -9.410 2.071 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 2.680 35.713 8.101 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 1.186 2.625 2.328 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 0.943 -7.413 0.913 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 0.687 1.248 15.577 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 6.934 -3.314 0.998 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 10.365 -8.289 16.185 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 19.450 3.224 -5.479 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 5.147 -1.588 -0.798 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 18.451 4.602 6.722 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 -9.278 -8.965 -7.113 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 -4.861 3.248 9.674 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 -4.413 15.947 9.381 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 -7.061 -1.078 -6.693 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 -0.885 -2.968 -3.966 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 0.089 -4.906 0.420 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 -0.579 13.128 -2.646 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 5.835 4.773 6.488 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 1.547 2.239 6.291 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 0.516 2.226 14.735 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 -0.822 4.954 -8.242 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 -3.417 -0.682 -1.529 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 6.829 13.857 -1.473 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 -1.744 0.570 -3.079 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 -10.162 0.713 -11.195 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 3.430 -1.295 5.759 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 2.639 4.182 6.899 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 -12.876 0.370 -11.688 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 4.701 26.246 6.344 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 2.082 0.972 6.544 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 -7.720 -6.177 0.705 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 -5.422 10.890 13.478 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 7.901 6.052 -3.133 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 4.895 0.305 -1.275 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 10.984 5.561 -2.629 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 2.397 -0.529 -3.937 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 -21.833 -0.077 -5.588 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 11.153 10.083 16.837 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 -0.290 3.966 5.700 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 15.247 19.573 22.647 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 -7.287 -8.327 22.819 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 -5.291 2.276 6.204 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 -7.446 9.236 5.149 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 -1.357 -12.855 4.243 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 8.142 -0.535 -6.696 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 -3.168 6.475 -16.139 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 7.414 2.980 -17.233 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 4.680 2.055 6.130 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 -17.613 -5.975 9.059 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 -0.338 -13.040 -9.468 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 6.391 5.598 -0.765 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 3.701 16.145 8.950 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 1.046 13.572 8.938 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 0.545 -2.384 -0.488 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 -4.238 6.775 -4.371 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 1.305 1.163 6.462 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 -2.106 -0.420 4.631 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 9.853 -1.576 -6.549 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 -6.282 9.513 -24.548 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 -3.455 -2.388 -2.227 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 0.584 2.419 4.420 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 -3.873 -4.668 -11.353 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 -4.155 -1.074 0.146 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 -0.967 -4.719 -11.064 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 -4.468 1.346 15.302 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 -0.929 8.021 5.988 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 12.924 6.317 8.644 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 -7.260 8.439 5.524 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 1.872 4.001 4.873 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 -21.738 3.790 4.524 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 8.739 15.032 3.544 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 -9.636 5.168 2.697 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 -6.587 3.033 -5.620 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 13.576 3.352 -3.596 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 -3.417 4.431 1.738 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 -8.584 -2.092 9.945 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 -7.209 14.109 -5.910 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 -1.115 6.801 -1.084 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 -6.114 22.713 0.144 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 -17.392 10.264 -1.460 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 -0.776 -4.081 0.201 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 -11.618 -1.946 -12.322 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 1.186 -4.926 2.720 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 1.523 6.346 5.929 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 1.012 -1.924 0.462 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 9.133 -25.860 -20.670 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 -6.761 -0.009 1.873 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 5.020 17.298 17.215 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 -16.012 -17.401 -23.278 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 -0.767 -3.696 1.461 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 -27.072 15.473 -17.659 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 4.961 -7.236 1.794 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 6.785 8.927 -1.699 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 -6.984 7.027 -1.271 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 17.350 7.727 -2.639 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 -1.315 -4.009 0.873 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 10.950 -1.787 -22.197 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 -2.081 -3.243 1.166 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 -3.202 5.300 -1.311 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 19.142 -5.238 -20.221 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 5.891 2.947 -6.218 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 1.536 1.198 0.703 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 3.869 -2.726 -20.274 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 25.151 -23.078 9.237 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 0.532 2.907 -4.228 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 15.301 -11.633 -0.576 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 0.223 2.324 -2.974 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 -6.183 -0.628 -3.454 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 2.362 -0.357 1.515 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 0.865 -3.092 8.512 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 -3.598 1.345 -0.389 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 -22.641 11.535 -1.738 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 0.168 5.803 -13.416 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 -0.018 -2.046 1.706 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 6.144 -23.772 29.335 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 10.737 -10.587 -18.371 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 0.961 4.147 2.564 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 2.233 -4.967 17.581 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 14.829 8.828 0.347 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 6.493 6.699 -1.974 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 3.472 8.036 -9.738 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 11.079 9.555 -6.865 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 -0.650 1.821 -4.456 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 17.235 7.402 6.561 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 -5.755 -8.151 -0.451 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 10.458 5.229 1.766 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 11.544 0.511 0.761 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 6.412 10.244 17.895 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 -11.504 0.633 4.941 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 12.106 -3.536 -2.944 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 -3.155 -19.394 21.169 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 0.241 5.827 1.295 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 22.201 16.079 -2.721 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 0.603 -10.448 25.573 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 -2.200 -1.024 -0.100 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 -1.089 3.228 -21.296 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 -1.991 -3.096 13.057 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 -4.495 -2.878 1.511 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 14.126 10.448 -13.339 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 9.140 6.946 -15.513 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 1.048 -1.365 -1.034 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 -6.259 24.264 12.580 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 9.636 0.607 -2.538 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 1.805 -0.728 1.442 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 -7.787 10.185 4.792 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 -12.503 -26.870 -9.715 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 9.068 0.737 4.708 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 8.156 0.616 5.600 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 0.840 17.461 8.357 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 -0.079 -4.215 2.702 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 23.230 -6.284 6.169 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 0.669 18.394 -0.374 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 -0.053 -0.572 0.535 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 11.323 -1.901 -11.202 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 -9.635 4.146 17.773 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 -0.737 2.406 -4.783 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 -12.441 1.174 -1.496 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 3.770 -4.400 6.203 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 0.226 -4.679 0.530 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 6.536 -15.943 6.299 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 8.801 26.678 -1.395 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 1.735 -4.381 -1.364 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 2.865 14.080 -17.786 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 18.577 -8.029 5.106 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 4.914 2.227 -0.649 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 -12.685 30.371 -2.780 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 4.222 6.587 -4.166 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 1.987 1.393 1.596 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 4.363 2.588 -13.357 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 -1.734 9.543 3.878 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 8.769 0.216 2.513 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 -0.612 6.987 13.010 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 12.131 -6.059 4.178 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 -0.041 4.553 -0.731 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 -18.050 -7.516 -14.532 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 20.359 13.534 8.414 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 4.901 -1.515 -2.759 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 12.777 -7.485 -4.553 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 6.005 16.360 4.438 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 4.540 8.896 -5.564 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 6.012 -14.648 8.178 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 0.213 14.114 26.358 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 3.531 4.501 5.851 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 21.959 -1.915 -6.681 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 27.388 -0.707 -9.360 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 -1.398 1.937 2.450 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 -19.003 -5.555 5.083 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 0.230 -1.585 29.294 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 -4.304 -6.460 1.219 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 2.065 -5.603 -1.704 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 1.528 -11.895 11.527 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 0.648 4.658 1.791 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 -5.856 -3.227 3.983 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 -22.532 -3.372 -16.393 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 -5.526 0.625 -1.237 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 2.844 1.706 -17.287 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 -3.197 -1.773 -0.644 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 4.272 2.649 2.868 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 -1.828 -20.057 -23.484 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 -7.618 1.775 11.841 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 -4.393 4.154 -0.677 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 -2.214 -1.360 0.523 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 13.956 -14.180 6.664 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 8.302 1.749 -2.242 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 14.784 -6.559 1.880 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 13.369 -18.231 30.480 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 2.655 -2.701 -2.083 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 -8.825 -12.545 12.079 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 -14.648 -10.958 8.069 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 -0.961 0.597 4.049 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 4.530 -7.189 -5.986 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 9.804 0.153 3.373 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 -0.021 0.917 1.456 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 22.997 10.259 2.773 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 -12.891 -7.134 -11.498 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 -1.586 -5.824 -6.152 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 -11.804 7.406 -13.498 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 -4.412 28.733 -9.852 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 -6.947 -3.702 -2.490 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 -20.500 -0.651 -0.623 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 -5.107 -5.082 3.249 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 -4.028 5.081 -0.037 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 -12.355 -8.894 1.487 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 -10.735 -1.052 1.784 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 4.654 2.039 -4.387 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 -8.397 -12.647 2.863 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 9.842 -3.869 -2.439 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 5.147 3.176 3.519 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 6.550 4.485 11.582 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 -9.743 5.755 13.450 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 5.356 3.814 -1.946 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 -2.789 11.303 3.896 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 -5.320 4.969 0.301 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 -0.186 -5.060 4.124 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 -3.684 -9.606 -1.952 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 -8.353 -2.997 11.048 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 3.748 -2.712 7.051 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 7.763 4.577 6.931 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 11.912 19.321 3.841 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 -1.595 -5.759 0.084 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 -6.724 -0.880 26.782 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 15.199 -23.460 19.964 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 1.582 7.550 -3.319 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 -7.430 2.456 -23.085 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 -6.215 -1.361 -21.264 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 -1.543 -5.216 0.229 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 -28.780 -5.738 -6.318 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 -4.708 4.111 -13.342 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 6.513 -3.760 -4.797 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 -6.669 -0.649 -2.968 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 -18.728 -1.857 -8.719 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 8.905 -5.263 -8.373 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 1.124 -8.440 -5.548 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 7.221 -6.776 -12.875 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 -0.601 -2.821 1.687 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 8.156 -5.575 -29.056 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 -0.158 -4.665 13.751 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 5.917 -3.406 3.127 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 6.224 -5.962 6.840 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 -14.825 -0.301 -5.760 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 0.730 -5.503 1.357 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 -5.149 20.204 -10.499 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 -17.069 -22.569 -13.602 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 3.488 5.869 2.350 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 11.014 8.507 3.710 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 0.803 10.847 -4.076 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 -2.734 -3.089 2.562 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 4.276 -2.252 -11.610 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 -4.884 6.063 -11.591 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 2.579 0.145 -1.047 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 -12.129 -7.046 5.649 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 3.374 14.103 5.469 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 3.868 3.195 -3.005 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 -6.163 -4.393 -1.038 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 17.881 7.375 2.045 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 5.945 6.278 -1.799 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 8.672 5.683 4.199 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 4.512 -0.007 -2.430 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 1.732 -3.262 6.901 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 3.514 11.577 -0.801 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 0.247 12.375 4.082 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 2.480 2.262 -1.090 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 14.127 9.088 -2.486 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 -10.011 -8.169 -4.410 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 3.996 3.946 5.131 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 -6.186 -1.537 7.881 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 0.415 -8.026 -10.486 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 1.447 -1.936 1.066 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 10.837 -0.848 26.741 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 -14.809 3.657 -19.569 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 -0.829 -1.752 2.715 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 -0.145 -6.922 -4.225 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 -7.130 -0.163 -6.120 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 1.251 -1.179 7.905 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 7.895 11.530 22.309 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 -24.189 24.183 0.527 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 4.288 -4.722 -4.268 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 23.438 -6.916 -14.723 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 -10.430 30.808 9.479 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 7.317 -4.276 4.259 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 -0.088 -4.732 -32.010 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 -32.092 -2.053 2.239 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 6.660 -0.717 -5.903 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 -42.451 10.032 -15.124 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 -2.936 3.618 -0.570 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 -0.900 0.759 -2.350 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 -3.677 1.693 -9.820 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 -0.253 19.381 -31.239 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 2.798 -1.549 -3.049 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 0.429 -6.267 -15.591 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 -5.169 -7.590 10.177 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 -5.701 -0.707 0.882 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 2.395 8.461 -27.823 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 9.533 -8.327 -16.944 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 1.905 -1.779 1.977 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 -8.931 -22.185 -2.250 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 -0.273 -23.131 -6.216 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 -5.902 3.845 -1.997 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 2.015 -1.128 4.506 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 -1.172 -21.994 4.487 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 2.374 4.709 6.481 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 0.179 -24.483 -3.347 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 18.178 -26.113 -4.699 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 4.726 -0.599 1.010 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 -8.250 13.259 -5.956 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 16.504 -10.332 -4.755 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 0.672 1.719 6.794 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 3.368 3.047 5.692 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 15.796 6.114 8.744 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 4.089 5.707 -3.546 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 -9.290 -17.803 2.578 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 13.057 18.365 -1.151 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 5.086 0.283 4.545 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 -20.612 -12.468 -1.140 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 -4.441 -12.010 36.945 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 -3.521 -4.222 2.554 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 -4.234 -17.448 7.976 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 4.596 -11.512 -9.230 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 1.361 8.176 -3.706 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 0.969 10.240 -18.157 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 0.839 4.443 0.025 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 0.265 5.849 4.134 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 21.205 19.330 -19.878 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 1.510 -15.124 3.194 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 4.395 -1.475 -1.480 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 9.840 -9.866 -2.555 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 -3.066 0.854 0.103 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 -5.366 -5.215 10.401 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 -7.312 37.471 3.941 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 -23.074 28.191 -0.896 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 6.379 -1.191 2.975 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 20.738 0.128 -19.407 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 -17.652 9.175 -3.244 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 -8.513 -6.768 2.162 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 -24.630 24.420 -9.622 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 -10.491 -4.039 -6.247 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 -3.964 2.196 0.280 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 -9.700 -2.829 1.280 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 -9.208 4.168 -1.676 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 2.494 -4.258 0.137 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 -2.815 11.589 -21.968 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 -0.739 -17.385 -6.191 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 -7.633 3.359 1.868 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 -3.600 -3.560 17.940 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 -15.648 -1.634 3.967 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 1.017 -4.352 -1.002 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 -1.800 -23.439 -3.781 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 5.374 30.135 3.739 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 -3.570 1.941 0.522 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 -12.515 -26.363 20.556 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 -5.206 7.100 -6.202 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 6.784 -3.267 -0.283 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 -1.954 -6.747 1.642 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 10.330 -7.727 5.071 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 -2.176 -6.012 5.924 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 14.987 21.242 22.415 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 -12.822 10.875 -25.259 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 -3.719 1.895 -1.263 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 -7.929 -7.121 13.925 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 -0.673 2.051 -0.322 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 -0.373 3.829 -7.179 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 0.760 -1.531 -7.430 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 -3.526 3.042 -5.841 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 4.009 -0.951 0.175 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 17.145 1.143 1.491 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 -4.830 8.079 6.466 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 -1.598 0.062 -0.840 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 -8.649 2.395 4.650 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 5.100 -1.753 -1.899 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 4.343 4.190 -1.887 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 6.672 12.499 -0.759 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 -11.796 11.694 -0.071 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 0.308 -0.217 3.391 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 -3.701 11.553 14.871 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 11.019 -4.213 0.553 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 6.217 -2.515 3.176 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 -3.630 -0.228 21.295 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 5.049 -4.379 2.713 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 0.864 1.150 1.994 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 2.091 -19.567 3.358 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 7.376 -15.258 4.243 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 -7.653 -5.330 1.965 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 -5.796 -12.101 2.364 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 -2.958 -19.805 10.213 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 9.978 -4.284 1.591 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 -12.346 7.103 6.367 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 24.257 1.412 -27.405 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 3.723 -1.468 1.294 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 -0.573 1.511 15.795 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 -3.253 -10.668 -3.406 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 0.630 -0.722 3.843 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 -3.921 -1.110 -4.710 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 -0.628 -6.577 4.655 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 -0.889 2.365 -3.273 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 -7.912 9.428 -15.084 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 -4.604 3.818 -7.221 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 -1.484 1.739 -2.661 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 18.602 17.536 -3.015 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 -20.072 -1.347 -8.776 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 1.368 1.104 -0.668 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 26.723 17.300 13.198 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 -17.553 -7.592 -7.002 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 -1.646 2.964 -2.304 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 4.924 2.353 -13.313 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 1.248 2.924 -5.871 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 -0.643 2.111 -2.110 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 -4.106 -24.738 12.316 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 0.064 -9.988 -3.224 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 -4.924 0.451 2.437 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 3.846 3.031 -5.202 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 -1.351 1.504 -1.395 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 -1.732 4.848 -9.077 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 -1.659 -0.749 1.020 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 -10.925 1.533 -14.774 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 1.933 -2.804 -6.646 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 -14.716 0.437 -4.013 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 -12.842 11.579 -17.494 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 0.050 3.757 -5.236 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 -0.464 3.563 -19.225 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 -0.656 18.580 -2.282 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 2.116 -1.209 -1.229 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 -5.958 -2.778 -17.511 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 6.831 -3.503 1.196 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 -3.956 -3.268 -3.218 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 9.966 -3.197 23.655 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 -27.186 5.495 -18.775 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 3.028 2.089 -0.120 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 4.351 -0.408 8.259 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 8.110 1.823 9.332 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 2.637 2.178 2.504 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 1.119 10.195 10.753 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 -5.624 -19.291 -18.493 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 2.580 2.064 6.609 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 -17.414 9.161 6.519 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 -31.084 6.964 9.598 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 7.223 1.524 -0.031 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 -4.227 -6.641 -7.376 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 10.959 2.333 2.380 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 -6.760 2.711 -3.109 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 3.883 -2.399 1.492 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 -3.286 -0.707 -1.004 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 -6.851 -1.399 -0.397 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 -16.327 13.123 -0.658 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 -9.715 11.032 -8.550 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 -1.979 -0.018 3.558 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 -15.509 10.768 -8.037 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 1.491 1.850 -5.120 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 4.349 -5.184 -5.339 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 0.828 -7.600 -10.523 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 -7.164 -11.677 -6.078 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 -4.935 4.839 0.608 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 10.936 2.135 -5.533 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 -8.280 2.982 -6.982 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 2.049 -0.932 1.192 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 7.034 -19.298 -0.364 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 2.068 14.551 -22.839 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 -0.118 1.679 -6.752 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 -15.315 3.834 11.314 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 -2.887 1.324 -3.944 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 2.097 1.011 -4.881 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 17.137 26.825 35.659 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 1.971 -22.949 -6.609 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 -1.766 -6.562 5.883 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 5.985 -1.370 0.336 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 9.170 -0.113 10.048 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 -0.312 -3.019 -3.433 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 -8.042 1.466 -2.745 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 2.375 -1.831 -5.091 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 -0.492 -6.700 4.098 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 11.234 6.660 -17.501 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 14.319 -8.252 16.868 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 0.023 3.757 -10.594 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 15.188 9.660 7.984 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 -9.658 -18.124 -3.047 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 0.355 -3.045 -2.997 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 -1.732 -15.395 -8.397 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 9.682 -4.469 7.512 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 -0.761 0.625 1.893 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 -6.963 -10.974 -0.838 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 1.733 3.278 -4.418 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 -5.452 6.822 0.792 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 -6.342 7.233 1.866 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 7.070 4.450 -26.924 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 0.982 -0.458 0.377 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 1.774 -1.949 0.753 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 15.686 4.151 11.087 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 -3.126 6.733 3.541 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 -6.028 -1.665 -3.251 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 -0.463 1.933 2.783 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 -3.871 -3.607 2.775 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 -2.227 -6.364 -13.828 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 -8.904 4.248 4.803 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 -0.259 4.133 3.695 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 7.824 -0.807 9.962 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 -6.978 -4.271 -1.766 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 -2.564 2.582 0.170 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 -19.183 7.841 0.475 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 10.985 24.738 2.141 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 -3.062 2.158 5.583 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 1.471 13.711 -2.389 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 -17.063 -4.902 0.021 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 3.719 -1.451 -2.473 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 10.529 -10.181 -3.032 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 3.509 4.412 10.544 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 -3.887 5.542 8.838 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 2.229 3.396 2.788 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 -4.726 4.859 15.414 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 0.539 -0.338 -1.500 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 -11.826 1.980 -3.589 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 -1.275 -10.867 -11.270 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 2.081 4.694 -7.742 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 -2.661 4.400 -0.036 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 19.583 13.293 8.179 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 2.184 1.216 -0.944 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 6.422 -8.492 -9.387 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 3.152 -1.812 -3.267 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 0.791 -4.149 -9.323 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 -23.995 0.426 -16.885 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 15.842 8.940 6.968 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 -1.868 -6.116 -4.904 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 -3.162 -6.707 1.121 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 -3.811 -7.583 -3.835 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 -0.642 1.646 4.437 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 -6.617 -19.740 -3.722 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 21.331 -2.776 13.111 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 -0.842 -4.137 -0.898 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 14.907 -22.976 -0.982 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 7.096 14.048 -6.939 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 4.582 1.568 1.259 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 -3.610 26.891 -3.927 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 -0.758 3.607 -3.973 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 -0.681 4.684 -10.268 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 5.923 -19.065 -15.449 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 2.170 -9.310 -11.349 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 -8.736 2.501 -4.133 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 18.351 -0.542 -24.550 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 1.987 -6.909 27.342 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 8.258 -1.817 -3.973 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 11.437 -12.938 4.761 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 19.692 2.437 -14.726 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 1.564 -0.269 -0.012 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 1.373 -0.292 2.287 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 3.970 -11.588 -10.203 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 -5.368 2.307 -1.192 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 -39.106 3.041 12.388 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 0.576 0.289 -2.133 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 4.689 4.033 -3.701 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 27.685 -14.494 -2.866 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 -14.900 -14.974 -5.476 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 1.287 4.841 -2.552 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 -0.783 17.070 14.142 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 9.700 15.807 8.561 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 5.048 -4.143 2.418 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 14.845 -18.086 1.841 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 -4.636 20.713 23.130 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 -1.911 -2.392 -6.438 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 -7.698 -7.751 -0.474 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 -5.210 14.889 -9.889 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 -1.779 0.043 1.566 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 5.715 -1.341 -0.212 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 -6.493 8.454 5.253 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 0.150 2.678 -6.162 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 37.218 -3.964 -1.765 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 5.838 4.289 -12.349 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 -4.949 -4.838 1.635 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 -3.504 7.508 -22.597 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 -3.793 -1.636 -6.106 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 -3.054 -1.803 -3.355 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 9.948 -2.538 -0.595 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 31.317 -0.986 -2.182 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 2.275 -4.817 2.000 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 5.151 -0.951 -0.285 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 -5.377 -1.769 20.297 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 4.520 6.729 -0.741 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 3.987 35.774 -3.409 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 8.340 10.641 3.564 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 4.405 6.045 1.834 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 19.683 1.920 7.131 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 5.665 30.735 1.443 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 -4.261 -3.027 -0.499 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 20.505 -10.510 -17.671 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 -20.766 -3.249 -29.855 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 -1.203 3.686 7.866 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 -21.718 2.127 -5.711 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 -9.122 3.341 1.023 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 5.085 1.965 -2.561 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 -18.477 2.641 21.407 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 -1.467 -8.604 -8.315 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 3.176 2.229 -7.676 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 4.068 14.019 -7.048 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 -3.847 -2.226 1.803 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 3.014 -0.041 -0.977 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 -18.829 -6.462 17.989 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 1.615 0.234 0.073 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 -7.524 2.886 -1.148 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 -7.408 7.222 -36.096 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 -4.636 -0.510 10.155 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 -1.779 3.013 1.134 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 0.786 -7.276 17.416 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 18.052 14.935 3.035 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 -1.625 -5.395 -1.134 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 -23.688 -18.087 26.386 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 -4.178 -15.708 -25.168 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 -2.910 4.841 1.039 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 0.648 -5.993 3.764 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 2.358 11.606 9.510 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 0.167 -2.936 -2.928 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 -3.881 -5.951 -12.870 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 -6.382 -7.908 3.963 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 -0.980 -1.561 -0.949 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 -1.579 -21.199 2.025 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 -10.105 7.183 4.935 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 -2.741 -2.192 4.660 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 -9.907 4.037 6.462 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 -16.054 31.434 4.835 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 2.315 3.245 -2.702 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 -1.233 -0.287 2.392 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 11.693 8.306 -12.705 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 3.275 -0.797 -1.139 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 -39.408 7.502 12.640 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 9.183 -12.412 -22.199 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 1.052 -1.963 0.319 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 5.640 4.902 -2.215 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 5.769 5.222 -2.292 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 0.797 -0.457 4.196 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 -7.868 -6.960 -26.726 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 3.656 -10.295 -5.300 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 -0.714 -3.418 3.032 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 -15.494 2.803 6.760 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 22.047 -5.430 -9.243 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 -2.343 7.510 -1.265 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 -2.056 -0.259 -13.114 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 4.008 16.770 -18.449 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 2.939 1.844 -6.314 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 4.301 -3.751 -10.510 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 4.922 -5.823 -12.630 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 -4.408 1.603 -1.085 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 16.503 -10.119 6.875 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 -9.246 21.132 16.496 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 1.326 0.262 -2.027 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 -0.952 -19.061 5.533 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 -8.212 -0.181 7.347 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 0.579 1.543 5.330 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 7.444 8.787 6.370 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 -3.662 2.847 -3.427 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 -4.395 -5.310 2.141 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 -15.237 -5.824 -5.559 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 -6.258 0.119 14.126 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 -9.155 -2.331 4.098 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 -1.121 -7.586 -9.371 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 -13.116 -14.817 0.389 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 1.098 2.385 -8.484 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 -16.230 13.837 -13.512 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 -15.647 16.510 5.988 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 -3.159 8.208 5.395 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 -8.556 15.240 -2.730 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 0.324 15.358 7.732 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 -3.166 1.360 2.771 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 -11.830 -3.657 3.571 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 -13.810 2.747 0.360 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 2.814 3.681 -3.978 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 -2.276 -13.058 -9.880 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 8.770 21.053 -18.869 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 -4.673 -2.091 -3.096 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 -7.265 -17.159 0.574 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 -8.827 -37.491 0.690 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 1.807 3.587 -2.487 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 -11.823 -19.940 22.150 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 21.684 21.722 -13.498 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 1.273 3.120 -0.861 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 -22.712 4.112 -20.148 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 -8.948 12.768 22.881 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 2.882 -0.302 -8.515 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 25.975 39.415 10.903 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 -10.174 -15.746 1.696 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 1.652 3.029 -2.494 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 -4.461 0.239 -10.066 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 -0.453 -1.385 -4.867 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 -0.873 1.364 1.674 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 7.203 -1.573 -10.638 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 -31.072 -20.925 -9.556 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 -1.322 9.906 -0.104 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 -3.835 13.071 -1.311 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 -4.230 2.486 9.992 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 3.329 1.694 -2.596 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 -6.808 21.500 28.789 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 -6.785 9.661 7.282 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 -1.090 1.708 2.656 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 -1.056 7.545 2.581 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 0.485 -14.150 3.015 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 -2.441 11.246 1.390 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 12.192 0.151 -6.862 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 -31.846 13.036 11.262 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 0.400 5.024 -0.320 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 -24.212 26.243 -25.579 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 -3.329 7.783 -3.562 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 -0.235 -10.907 4.424 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 15.357 -12.257 6.857 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 -2.655 0.587 10.946 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 -2.154 3.664 -9.073 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 12.867 5.281 0.712 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 -11.529 -4.561 8.615 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 12.631 1.391 -6.649 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 6.006 13.976 -9.500 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 16.460 -3.926 9.098 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 7.117 6.397 0.438 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 -0.939 36.123 -6.190 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 -17.275 -5.810 -13.285 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 -3.181 -5.450 -3.473 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 -3.143 -2.033 -5.795 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 -5.771 0.012 -8.465 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 1.917 -8.242 7.566 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 23.770 -7.109 15.661 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 -5.109 -6.346 14.971 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 4.669 -9.677 -3.989 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 4.237 -5.576 3.038 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 6.143 -14.626 -7.286 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 -2.836 -10.325 2.494 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 0.316 -22.876 31.491 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 11.264 10.049 13.621 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 -2.290 -2.736 0.245 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 1.569 -6.753 15.904 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 25.068 -16.841 -23.995 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 -1.685 -4.716 -6.489 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 15.541 -6.336 8.223 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 14.987 -19.373 16.968 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 -1.469 -0.034 6.783 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 3.168 5.945 -8.782 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 -12.124 13.718 2.966 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 -0.290 -2.717 1.331 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 10.558 10.798 8.137 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 -11.544 13.525 -4.769 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 0.902 -6.022 -5.204 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 -0.425 -6.756 -11.870 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 0.936 -5.492 -4.463 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 1.315 2.872 2.327 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 10.947 16.036 8.217 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 3.482 7.638 -14.031 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 0.148 0.625 2.000 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 -6.640 -5.043 2.711 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 4.100 -10.478 17.875 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 1.871 3.945 3.417 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 6.120 2.757 7.983 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 1.316 9.368 3.799 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 -0.815 4.893 -1.347 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 15.580 35.170 9.528 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 -33.185 13.847 -14.266 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 -0.261 -2.032 -2.016 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 17.904 2.159 -14.937 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 13.356 -5.620 -5.157 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 1.147 -8.097 2.792 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 1.537 -8.961 3.141 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 -9.002 -31.194 0.591 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 -7.381 0.460 5.706 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 16.160 1.501 1.891 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 -38.039 44.025 7.888 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 1.371 -3.379 -5.316 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 4.193 -7.096 -3.456 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 -3.031 -1.785 -5.785 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 6.345 -3.417 2.200 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 20.627 -8.720 -14.976 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 25.966 13.987 15.101 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 4.339 1.394 -9.442 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 -14.342 -15.065 4.081 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 -1.844 9.957 -38.731 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 -5.761 -5.788 -0.390 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 -16.763 -18.707 5.463 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 31.461 6.150 -9.360 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 7.166 -5.052 -6.138 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 -2.736 21.578 -4.002 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 9.783 -0.949 -2.059 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 -1.896 3.055 -2.993 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 1.710 0.790 -2.425 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 -41.136 15.066 -5.920 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 -2.900 -0.174 -3.253 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 -1.325 -17.200 -2.830 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 -21.706 2.024 -2.372 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 1.021 3.639 3.081 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 18.218 15.155 -1.158 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 -0.743 2.385 4.028 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 -2.805 6.416 0.140 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 -1.073 -10.417 2.496 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 -1.795 -9.911 0.988 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 5.380 -0.696 -1.934 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 0.880 1.070 7.853 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 15.241 -2.651 0.600 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 -0.856 -1.186 1.208 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 -3.373 10.395 4.562 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 -2.576 3.510 -5.244 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 -1.530 -6.566 -9.416 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 -1.759 -8.944 0.109 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 -6.929 -10.658 -33.258 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 4.630 -2.066 -4.895 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 -1.538 -26.808 -21.308 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 0.565 -4.138 9.505 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 5.782 4.021 -2.544 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 22.368 13.451 1.062 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 18.406 1.110 28.689 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 -2.188 6.849 0.934 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 6.335 27.949 -2.696 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 -13.445 3.960 -18.567 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 -3.803 7.752 3.531 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 10.039 1.070 -5.184 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 6.391 -7.266 7.625 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 0.121 -4.492 -4.493 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 -15.519 31.517 -5.164 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 4.683 1.683 -12.366 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 -7.211 2.182 -4.878 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 -4.777 -1.836 -8.316 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 -8.805 2.765 -2.596 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 -4.565 -0.835 -7.490 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 -8.082 -1.558 -8.026 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 -9.842 -4.194 -14.753 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 8.893 7.650 -0.755 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 -3.614 -1.833 -7.099 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 24.648 33.622 8.075 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 -1.006 -1.455 -4.331 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 -1.852 1.683 5.206 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 4.705 1.229 -5.241 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 -7.347 0.449 7.141 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 -4.825 -3.911 14.803 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 7.313 4.964 22.775 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 -4.981 1.842 9.113 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 -10.936 4.636 22.056 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 -1.728 -10.235 6.857 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 4.396 -1.434 0.467 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 -0.246 -10.681 9.276 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 16.043 -0.735 8.651 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 0.330 -1.332 0.710 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 14.581 -22.739 1.202 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 -16.032 5.057 -3.101 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 -2.213 1.884 2.891 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 -8.942 -28.299 0.979 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 -9.987 16.843 21.758 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 8.312 -0.146 13.692 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 -14.592 -21.548 -3.164 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 -2.456 -13.793 -1.142 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 -0.839 8.693 0.783 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 -6.817 40.063 -0.280 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 10.292 -9.591 0.569 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 1.275 -0.308 -4.324 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 28.711 14.965 -2.350 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 29.311 11.345 10.371 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 -5.022 -5.873 6.466 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 -0.150 -13.861 6.352 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 -3.972 -15.787 -7.406 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 -0.672 1.882 -1.965 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 -9.005 21.558 -29.496 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 -18.090 -19.919 -8.571 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 0.173 1.169 1.261 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 10.965 -4.326 20.311 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 -12.821 1.933 -20.223 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 1.558 -3.415 -1.086 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 -12.566 10.145 23.261 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 2.071 -12.242 -6.441 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 -5.013 1.165 3.306 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 -8.614 5.015 3.990 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 5.936 -2.234 7.898 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 -0.058 1.418 6.893 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 30.419 20.758 16.174 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 2.900 -27.820 1.754 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 -1.786 -5.205 1.271 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 -11.691 5.751 0.938 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 -2.407 -3.214 -1.806 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 -1.097 0.844 -7.145 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 -0.527 -7.723 -0.552 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 -4.433 -1.768 -14.343 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 3.395 1.836 6.578 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 11.476 4.646 1.839 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 4.688 2.219 4.935 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 4.803 -2.125 1.568 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 -10.243 -23.013 -5.755 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 22.154 13.575 11.640 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 -2.584 1.511 -3.189 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 -7.151 5.553 2.996 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 5.599 -15.785 -16.230 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 4.561 -4.189 -5.271 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 7.241 13.463 7.638 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 9.103 14.563 10.187 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 0.428 1.052 3.618 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 -0.366 0.970 -0.292 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 9.334 6.393 0.503 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 -5.094 -3.783 0.130 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 0.049 -9.666 4.410 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 6.553 7.530 6.461 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 -5.298 -1.532 -5.023 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 -16.722 -35.977 -7.898 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 2.657 30.045 3.647 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 -8.811 6.740 10.336 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 -7.955 8.118 14.792 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 -9.410 9.777 -8.024 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 5.256 7.125 0.785 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 5.627 16.173 12.980 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 -3.720 -20.481 17.007 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 3.610 -4.950 -5.308 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 0.136 -4.822 -10.039 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 0.677 -11.921 8.769 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 -1.508 -0.875 2.386 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 10.859 0.726 9.808 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 -3.186 -6.843 -7.226 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 -5.008 -3.285 0.005 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 -19.276 0.238 2.136 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 -1.141 7.333 4.661 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 5.193 6.396 1.653 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 -12.907 9.328 11.382 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 24.460 3.585 -5.276 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 -1.108 4.917 -1.663 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 12.557 8.462 6.581 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 2.121 6.156 -3.173 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 6.781 -4.071 -3.345 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 5.753 4.156 -3.832 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 8.831 2.243 -2.201 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 0.904 1.097 6.710 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 25.828 15.136 -6.134 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 7.537 5.979 14.116 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 -2.259 -0.274 1.739 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 -18.995 26.433 -33.807 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 -4.249 -9.033 -15.838 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 -0.174 1.412 -1.655 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 -12.802 15.988 -3.997 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 2.371 -15.721 1.685 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 6.853 -4.375 9.182 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 -0.236 -1.350 6.650 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 -21.753 17.794 26.536 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 0.098 1.073 1.219 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 1.255 4.556 13.226 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 -1.826 9.732 5.467 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 1.318 -9.179 -2.637 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 -0.914 -13.750 9.947 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 -0.741 5.075 0.556 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 -1.158 2.703 3.998 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 10.601 -12.117 -4.235 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 9.510 -9.427 -0.823 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 -1.838 2.124 -7.057 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 -9.015 -4.788 0.837 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 6.327 -5.691 24.885 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 7.896 2.622 -0.161 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 5.656 1.379 -3.252 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 5.662 1.246 -0.744 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 2.041 0.835 -2.160 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 2.619 -4.224 -7.792 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 -1.168 -0.472 -2.281 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 2.933 3.502 -1.686 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 0.486 7.390 1.716 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 18.978 -7.035 -2.534 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 -1.243 -2.338 -1.551 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 -7.399 6.311 -8.394 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 13.645 -12.170 -0.842 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 -1.389 -3.045 -0.945 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 1.983 -18.133 41.081 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 -3.605 -16.969 12.849 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 -1.383 8.774 -3.343 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 -5.237 6.129 -7.735 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 -3.800 5.903 -3.159 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 3.007 -0.578 -1.213 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 11.632 -2.298 -8.143 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 -1.466 -13.313 -3.854 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 3.963 0.808 -1.249 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 3.560 0.922 -0.949 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 3.469 -0.619 -0.581 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 -2.937 -0.692 0.968 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 -14.820 -9.571 4.552 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 -17.139 0.470 13.507 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 5.733 2.768 5.459 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 -15.932 2.122 -1.192 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 9.526 9.544 25.302 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 -4.727 4.650 -0.146 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 -5.302 9.410 -9.957 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 -3.268 13.124 6.607 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 -8.765 3.365 -6.401 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 -6.901 19.734 -5.336 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 -12.540 -0.651 -8.590 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 4.544 3.216 2.295 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 -4.593 0.582 -7.926 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 1.750 7.023 10.112 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 4.073 2.295 2.780 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 2.851 12.595 -11.937 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 18.920 -9.134 3.181 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 -1.128 1.065 0.092 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 -17.427 23.828 7.417 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 15.990 -4.878 -9.305 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 1.359 -4.109 1.986 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 -13.191 -16.558 12.790 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 -3.726 -0.982 10.981 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 5.661 -4.841 2.440 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 -23.796 -9.091 -12.966 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 -12.683 4.115 -4.797 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 -4.308 8.217 -1.374 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 4.320 5.488 0.276 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 -1.314 7.949 -14.092 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 -0.002 -4.611 5.040 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 -4.357 -0.199 7.982 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 -21.120 3.008 1.720 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 3.671 1.152 8.818 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 15.878 11.746 9.798 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 -6.538 8.541 11.004 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 3.574 2.345 -8.705 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 -6.887 18.977 -23.798 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 -9.865 18.729 -17.474 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 -1.656 6.235 4.500 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 -4.658 24.004 7.109 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 11.852 21.384 22.987 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 6.890 -5.246 -4.876 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 16.745 -22.553 4.366 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 -2.544 8.456 -12.657 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 -0.146 -4.246 9.331 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 -16.908 -30.573 10.306 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 31.838 -5.689 -24.227 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 -2.249 5.491 -6.815 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 -15.943 4.391 -2.075 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 1.535 6.761 7.511 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 -4.155 -8.912 -7.185 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 -9.602 -3.867 -17.706 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 -19.040 -4.580 2.722 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 -4.427 4.848 1.779 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 -1.763 10.090 -3.659 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 -23.405 -8.412 -5.937 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 -8.057 -1.818 -1.301 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 28.217 7.745 8.229 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 -0.889 -5.472 -8.187 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 -3.953 -2.434 3.415 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 -1.310 2.367 -4.803 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 -17.659 14.002 11.786 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 -3.568 -0.871 -0.932 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 -7.217 13.228 6.403 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 -15.591 13.087 9.621 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 -1.618 1.101 5.333 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 20.443 18.882 10.659 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 -22.159 -9.625 0.549 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 4.156 -3.807 1.260 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 -11.754 15.284 -4.348 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 8.304 22.211 8.213 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 1.309 0.650 -4.291 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 -6.777 3.050 12.304 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 6.863 3.570 -9.519 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 -7.301 2.993 -3.419 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 -10.256 -0.963 -4.145 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 3.705 -11.846 -9.897 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 -0.095 -0.443 -0.394 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 8.076 -9.535 1.605 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 2.406 15.087 5.680 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 -3.806 -2.090 -1.530 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 -6.977 -5.587 28.266 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 2.552 27.566 -5.742 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 -6.334 -0.077 2.100 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 -2.815 1.293 3.507 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 1.531 -13.624 -3.690 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 -2.225 -9.152 1.415 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 10.015 -9.314 11.346 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 1.859 11.773 -4.354 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 -1.363 -0.548 1.282 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 11.685 -9.872 14.569 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 -2.570 -1.838 -21.168 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 -7.869 1.264 -3.101 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 -24.755 -17.049 -9.346 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 -7.914 -4.635 -17.038 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 -10.794 1.830 -1.729 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 -13.861 0.114 -1.113 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 -26.489 7.174 -3.326 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 3.665 -0.251 -10.307 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 15.327 0.496 16.897 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 8.648 -18.558 -8.859 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 7.669 4.683 -4.629 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 -30.493 -15.627 13.882 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 6.700 11.593 -5.508 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 6.306 -0.657 2.690 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 0.174 8.908 -3.904 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 5.735 -9.687 4.371 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 -4.790 -2.229 -0.165 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 -2.872 -11.005 11.037 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 -11.585 9.003 3.845 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 -0.397 -1.237 -2.591 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 9.796 -9.280 24.612 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 -3.046 10.297 -15.829 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 2.949 0.322 0.424 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 5.906 7.419 -14.840 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 -2.383 -24.484 33.900 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 4.766 -1.355 -1.177 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 11.779 -0.538 -6.360 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 30.202 5.295 7.556 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 2.253 -5.402 2.421 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 15.774 -4.203 6.465 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 36.018 -4.466 14.815 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 2.553 -4.333 0.216 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 18.089 4.050 -2.090 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 -12.152 5.234 12.264 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 0.683 4.938 4.564 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 -10.899 13.051 -3.813 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 0.160 2.805 12.875 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 -3.102 -5.949 4.854 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 18.615 -19.719 4.890 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 -14.068 6.768 -1.858 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 -2.679 -1.264 5.478 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 -14.461 6.507 -2.583 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 1.409 -4.825 4.110 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 0.659 0.742 -1.987 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 6.937 4.098 8.994 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 1.107 8.045 -4.510 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 2.804 0.481 0.566 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 -11.277 -0.195 2.816 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 1.400 0.439 0.995 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 2.602 2.688 1.621 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 8.239 12.007 4.590 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 -8.540 -6.375 18.396 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 -2.032 2.977 -11.285 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 1.924 -2.819 -21.927 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 -4.763 7.587 -3.434 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 1.116 0.334 -4.115 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 -9.140 6.691 2.453 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 -15.760 10.092 7.034 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 0.305 -1.974 1.062 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 6.683 -9.119 -25.878 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 2.585 -37.697 18.587 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 0.191 -3.276 -0.030 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 -12.792 7.762 15.496 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 -13.632 -24.023 -3.159 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 3.174 -3.185 0.425 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 10.325 3.965 8.924 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 1.212 -14.337 6.955 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 -1.199 1.063 -2.385 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 -0.984 -0.126 7.967 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 -9.476 -2.785 -4.733 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 -8.866 -5.200 -1.434 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 0.563 -5.056 10.196 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 -8.373 -9.048 -5.080 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 -1.848 -1.089 -1.976 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 12.202 -1.545 -3.248 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 -14.805 6.818 3.705 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 4.007 3.255 1.511 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 14.425 1.291 -13.604 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 -9.366 9.367 12.628 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 0.060 -2.984 2.465 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 -16.603 -5.277 4.798 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 -1.566 2.212 8.655 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 -1.795 -4.196 3.007 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 -5.680 2.915 -7.832 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 10.936 1.961 6.441 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 1.392 -1.516 2.376 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 -6.460 2.391 -2.424 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 -19.410 -0.552 9.109 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 2.475 -6.528 0.922 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 6.044 -25.041 8.474 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 -14.724 -7.663 7.708 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 5.147 -4.353 -0.680 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 -1.326 -3.191 -12.214 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 3.062 -3.932 -2.137 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 -4.921 -0.413 6.494 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 -9.008 34.342 -11.673 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 -2.176 8.639 -0.820 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 1.994 -3.325 0.509 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 -6.806 21.544 -15.330 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 4.696 -7.437 8.986 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 7.342 -3.987 -4.671 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 10.021 4.979 6.082 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 27.336 3.999 -7.404 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 2.340 -8.253 1.650 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 -2.089 -19.460 11.706 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 -17.932 -3.748 0.905 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 7.326 2.431 1.987 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 8.368 -1.810 4.328 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 7.077 5.020 5.823 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 -3.491 -1.102 3.627 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 -5.712 -3.558 -3.182 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 3.415 2.846 4.363 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 -3.652 -2.809 -3.804 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 -2.184 -3.565 -11.442 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 -9.966 9.268 -4.766 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 -0.541 0.112 -3.332 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 -15.076 14.469 -1.808 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 7.551 12.139 14.805 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 -0.473 -1.763 4.282 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 19.864 15.303 -5.787 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 6.747 21.944 20.547 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 -5.807 -3.901 10.191 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 5.070 -16.425 -5.355 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 -25.184 -12.503 22.288 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 -4.392 -1.291 -1.757 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 -11.291 -9.464 -4.149 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 13.316 13.925 8.130 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 -2.173 4.746 -4.910 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 1.235 10.822 -23.005 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 -0.550 4.615 2.095 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 -5.579 0.038 -1.262 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 0.555 3.864 -12.773 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 -7.516 -1.566 1.563 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 4.533 0.740 -4.288 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 6.445 -2.076 8.473 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 15.107 21.996 15.887 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 -4.229 -1.553 5.133 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 4.119 1.788 -0.635 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 22.533 2.627 5.669 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 9.425 -1.386 -7.214 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 -8.563 -9.504 -5.671 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 15.777 -12.990 -9.770 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 -0.197 -3.520 5.393 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 17.009 -4.884 -7.841 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 -2.153 -8.557 10.630 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 2.023 -7.580 0.363 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 2.332 -4.398 -1.628 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 0.525 -8.958 0.044 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 5.359 -0.143 -8.689 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 -0.156 5.267 -13.615 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 9.506 -6.557 -13.813 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 5.575 -3.567 -0.464 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 11.029 -3.716 -6.413 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 -1.090 -1.971 10.279 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 -1.661 0.455 -2.437 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 -2.719 0.193 -2.981 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 7.036 -23.778 -8.332 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 6.871 -2.044 -0.945 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 -6.066 16.113 11.011 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 -5.021 -16.512 -5.840 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 -4.033 -4.361 2.368 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 -15.789 -1.225 9.311 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 -9.081 9.602 11.738 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 2.529 -0.019 -0.663 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 1.445 -26.012 -4.831 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 -10.312 25.429 -1.743 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 3.058 11.536 5.571 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 9.533 18.098 -10.232 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 4.855 -2.874 25.607 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 -3.869 -2.032 -4.385 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 -7.763 -18.598 12.563 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 -6.062 -8.907 0.870 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 1.892 -1.228 4.758 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 4.581 -18.754 4.215 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 -17.254 7.930 -7.195 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 3.341 2.056 4.725 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 14.263 -5.834 -2.230 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 -3.437 -12.090 -15.907 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 5.980 3.380 3.703 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 2.305 6.537 4.871 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 3.287 -8.928 -0.381 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 -1.843 -1.752 -7.329 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 -6.200 -21.323 -7.894 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 4.669 15.821 -6.577 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 -5.342 1.739 -3.704 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 -12.424 16.191 -5.788 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 4.042 -17.056 10.914 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 -1.205 -6.412 -7.628 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 -6.658 -6.815 -8.656 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 -0.321 -11.271 -8.168 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 -1.982 -4.441 5.428 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 7.637 5.087 17.769 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 27.380 -6.062 6.279 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 4.782 -5.173 -0.006 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 2.523 -8.159 -0.510 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 -7.919 1.404 -1.422 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 -1.113 1.937 -1.038 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 5.753 -1.792 -3.257 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 -15.616 -3.271 -10.034 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 2.900 1.232 4.887 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 4.281 -7.128 -3.944 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 10.110 7.101 -1.312 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 -0.991 -1.721 3.833 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 -24.606 0.036 -8.598 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 -3.222 -12.592 26.923 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 -8.687 -1.670 -5.776 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 5.954 -3.820 -12.075 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 -4.129 -7.246 21.125 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 -7.382 -3.008 -7.604 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 -1.825 -2.020 -15.522 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 -9.816 -12.304 -7.967 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 -8.021 4.130 -4.343 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 12.810 -13.146 -3.130 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 1.340 8.459 -40.334 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 0.384 4.851 -2.029 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 -5.791 -2.506 5.498 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 25.845 9.728 -1.404 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 -2.120 -1.439 -2.504 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 12.819 -17.484 -14.639 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 -12.311 10.024 0.916 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 0.885 -0.461 5.269 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 -2.299 -5.277 8.405 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 11.125 -9.812 -8.764 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 -1.826 1.892 -1.742 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 10.709 4.904 -6.650 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 0.167 -11.026 3.410 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 1.879 -9.806 1.850 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 11.034 9.470 7.020 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 -20.485 -8.519 4.123 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 -2.287 -0.092 0.282 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 14.899 -4.402 5.988 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 -13.733 -0.098 -16.635 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 5.259 1.351 -0.665 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 0.101 -1.705 6.053 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 -4.755 13.532 3.419 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 -2.638 1.760 -3.052 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 -21.258 -15.248 20.341 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 3.053 3.662 -10.760 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 1.925 0.349 0.158 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 -3.011 4.294 0.274 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 -9.777 25.306 7.852 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 -0.511 -4.023 -4.870 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 14.699 5.455 10.480 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 10.473 -15.374 -26.220 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 1.745 -8.869 -5.189 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 -4.892 -3.997 -2.389 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 6.050 -3.156 -11.168 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 0.731 8.608 -1.410 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 0.589 17.349 -3.586 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 -7.226 9.059 -0.237 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 -0.461 -3.384 3.931 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 5.193 -3.636 9.705 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 4.462 -9.298 2.786 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 6.731 7.225 -4.986 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 12.568 -2.399 5.409 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 3.002 17.998 -22.182 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 2.262 -4.606 2.885 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 5.610 -18.918 -2.578 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 -6.066 -12.779 2.529 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 1.947 0.646 7.106 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 1.738 11.375 2.329 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 13.002 -8.008 2.774 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 -5.251 8.681 -2.112 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 -26.301 -21.011 -19.443 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 34.180 -1.134 15.780 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 -8.816 2.146 -4.530 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 -14.719 3.024 26.242 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 0.084 53.137 7.930 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 -5.030 -7.241 2.637 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 7.837 -0.713 2.054 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 18.027 -44.729 2.102 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 1.700 -3.262 -4.854 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 3.815 -7.193 -10.132 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 7.007 -24.052 3.187 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 3.932 -4.620 2.200 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 -11.731 -9.509 16.253 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 -25.949 -16.277 3.432 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 -0.029 -0.057 -2.817 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 14.927 9.151 10.428 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 -1.970 1.364 -1.775 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 10.756 -3.351 -6.429 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 8.589 -1.342 -5.066 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 1.438 8.024 -0.647 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 -3.432 0.844 3.971 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 -3.080 -5.891 -17.479 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 -3.903 3.106 3.101 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 -0.153 2.715 2.957 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 -4.438 -5.907 7.187 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 5.299 18.113 -3.559 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 -4.349 -4.515 -2.765 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 13.957 -10.330 9.899 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 -13.481 -12.894 -1.688 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 3.371 -4.950 1.411 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 31.674 0.451 -13.069 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 25.456 12.983 18.164 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 3.020 -8.244 -4.011 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 2.378 8.374 9.115 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 -1.270 18.647 26.517 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 -5.780 3.844 -1.987 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 0.955 3.704 -7.517 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 -16.325 8.674 -1.783 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 3.414 1.198 1.753 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 -8.591 -8.490 -12.352 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 -2.134 26.170 -3.235 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 -3.360 -0.577 4.842 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 4.484 -3.284 2.474 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 -4.894 9.178 2.110 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 -4.908 -3.869 2.486 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 -4.250 -21.156 10.874 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 6.823 -9.215 9.403 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 1.621 2.706 -0.899 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 -0.560 21.945 10.637 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 -4.062 -8.517 -9.334 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 -11.666 0.723 1.919 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 -26.924 15.369 2.927 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 -16.313 5.064 2.201 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 -7.220 3.436 4.054 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 -3.164 -20.679 6.939 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 -3.552 -23.689 8.216 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 5.636 -11.120 10.218 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 14.584 11.497 10.257 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 14.993 29.588 5.677 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 -3.000 5.870 4.637 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 28.850 -0.332 -12.242 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 23.082 5.755 -17.797 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 4.237 1.145 -2.534 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 -11.431 23.648 -1.416 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 11.209 -12.769 -3.890 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 7.649 5.591 -5.168 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 -5.712 -1.640 11.185 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 8.130 -10.697 -13.095 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 7.797 2.385 -2.603 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 22.764 14.962 16.811 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 5.148 0.261 -7.595 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 3.707 -1.342 -0.031 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 0.782 -5.751 -1.281 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 1.149 2.485 -0.491 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 2.413 -5.028 8.620 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 3.547 -6.711 1.734 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 10.441 -2.115 13.014 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 4.146 -0.928 5.113 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 -14.135 10.894 33.791 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 -26.907 -30.353 -15.789 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 4.879 2.528 -4.893 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 15.767 -8.916 -1.613 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 1.679 11.946 15.115 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 2.456 -1.738 -6.930 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 -11.677 22.096 -7.159 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 7.257 15.141 -4.314 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 4.417 5.979 0.869 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 -0.016 -7.458 -12.886 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 -0.344 -2.542 -7.006 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 -1.067 -2.364 2.557 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 25.080 3.738 24.358 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 -12.165 11.554 -1.102 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 7.153 -4.359 -2.284 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 7.337 -1.317 7.515 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 10.594 -6.051 -0.595 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 9.741 3.314 -9.754 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 17.063 23.371 -15.389 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 7.872 0.213 -8.155 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 -4.313 5.106 -2.152 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 -4.465 1.707 -9.748 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 -5.047 16.226 24.456 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 9.203 -4.143 1.451 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 9.275 0.504 -6.131 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 -3.076 20.491 -7.082 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 -6.695 3.023 -1.006 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 -3.843 4.701 -4.605 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 2.003 3.199 -2.108 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 0.520 -2.015 -4.150 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 -7.216 30.701 8.973 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 -5.741 8.099 -28.529 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 -1.459 -0.053 -0.106 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 -2.071 18.815 -7.473 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 8.749 -10.046 17.241 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 2.873 -3.519 -1.224 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 3.367 -12.368 3.180 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 5.294 -19.675 9.496 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 8.617 -2.601 2.725 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 -1.271 -24.471 -3.382 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 4.544 -9.123 -0.262 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 0.179 1.886 0.445 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 13.682 9.129 24.619 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 12.668 21.365 -9.992 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 6.357 3.891 -4.239 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 23.881 6.852 17.647 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 -21.201 -18.730 2.114 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 -7.266 3.548 4.081 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 -6.458 -1.180 15.887 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 -8.119 0.686 -2.941 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 5.316 -0.249 -7.661 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 -11.129 2.200 9.892 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 14.625 17.755 8.301 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 -4.275 -2.239 -1.502 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 8.321 -21.251 24.565 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 -10.361 -4.879 27.902 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 0.119 1.044 0.954 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 -25.676 7.066 14.147 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 -10.827 3.478 8.331 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 3.008 0.920 4.285 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 14.811 5.104 -3.167 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 -7.406 11.990 22.320 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 -11.292 -2.259 3.221 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 -19.492 9.775 6.337 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 -28.187 10.633 16.110 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 1.530 1.338 2.691 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 -2.672 -15.189 5.084 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 18.445 1.830 6.773 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 -2.427 -1.897 0.134 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 5.461 10.132 3.604 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 16.513 -7.268 -18.497 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 -4.211 -3.589 0.957 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 -4.080 -18.184 18.969 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 13.218 -4.393 3.856 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 -0.455 -8.003 -3.668 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 19.072 -7.093 2.971 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 17.918 -9.838 -7.748 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 2.206 1.080 -10.630 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 -1.638 3.454 9.256 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 5.093 -24.794 1.978 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 -0.790 -3.048 1.271 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 2.234 -17.662 -16.449 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 -23.214 -10.980 -15.952 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 -1.808 1.219 5.560 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 -3.600 -10.151 13.241 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 0.639 10.830 -0.912 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 1.147 0.734 -3.146 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 -22.027 -11.254 -36.842 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 1.347 -6.080 -8.312 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 -5.172 0.953 5.354 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 3.395 -1.087 12.470 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 22.670 -3.340 6.477 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 3.570 -0.038 9.121 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 -15.315 1.365 -5.447 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 34.002 13.777 -2.758 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 1.891 2.222 0.061 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 2.127 2.353 2.772 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 7.817 11.962 -13.746 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 1.123 -3.185 4.354 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 2.572 -9.189 9.954 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 -4.398 -6.355 -5.166 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 3.576 2.390 -4.968 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 23.989 -1.552 1.355 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 -8.146 -4.398 11.782 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 0.140 -4.731 3.385 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 -4.668 -0.694 10.591 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 7.341 0.063 11.047 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 2.284 1.762 -2.989 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 1.210 0.587 -6.420 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 0.160 1.339 -9.892 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 6.140 3.316 -1.946 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 -5.149 -24.996 5.275 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 -16.575 3.669 16.428 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 -2.033 3.288 3.740 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 -19.251 24.888 -7.949 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 15.127 0.174 -18.969 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 0.959 0.560 -4.643 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 -4.945 -6.001 21.232 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 12.265 -8.448 -27.860 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 1.083 2.165 3.523 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 -5.041 -2.264 -0.416 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 -3.216 9.538 7.759 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 2.121 -2.199 -4.965 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 1.653 11.316 -7.256 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 8.073 -11.161 -8.005 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 3.126 6.216 -8.015 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 -25.053 -1.609 6.260 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 -16.194 -9.084 -1.194 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 -2.095 -4.530 0.775 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 -9.553 -2.506 3.277 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 1.272 5.354 -7.132 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 2.145 -1.493 -2.900 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 -13.564 -10.179 17.667 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 24.293 13.863 1.640 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 -1.248 0.011 -5.257 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 -2.968 -10.506 -10.192 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 9.492 -6.050 -13.927 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 1.160 0.269 3.070 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 14.308 -23.833 -7.699 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 -21.602 -25.978 5.835 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 -5.610 -4.849 3.723 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 -5.072 1.562 23.326 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 -21.478 -9.318 4.476 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 -5.676 -0.418 -3.024 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 -7.301 -7.593 -9.248 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 -7.829 -7.355 -4.596 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 -3.399 -4.528 5.000 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 -16.642 9.857 -4.664 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 -12.666 36.002 23.654 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 -2.610 -2.845 -7.610 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 -2.616 -5.078 -4.074 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 2.247 1.198 5.614 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 -4.441 1.443 2.432 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 -8.071 6.463 13.065 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 2.675 -10.110 5.368 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 -2.104 1.822 0.446 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 5.168 -19.104 4.717 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 -17.070 -21.363 -16.606 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 2.662 2.661 1.022 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 29.049 15.675 -4.327 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 6.356 11.148 8.207 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 1.378 -2.269 1.008 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 -10.242 9.538 -14.984 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 14.673 -6.772 11.744 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 1.792 0.651 0.770 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 -9.460 17.569 -2.205 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 3.183 4.217 22.147 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 0.144 4.007 1.848 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 -10.327 -1.774 1.946 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 8.465 -0.883 -7.221 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 -2.459 2.860 2.311 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 11.997 20.033 15.549 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 11.783 -23.186 7.446 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 -1.685 1.499 3.677 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 -18.787 9.589 -0.547 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 0.893 0.095 5.137 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 -10.273 -4.260 -6.237 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 -11.819 -7.938 1.626 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 -14.831 -25.021 -8.909 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 -2.271 0.189 -3.634 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 4.865 3.118 -16.098 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 6.094 -12.366 -17.462 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 -2.555 0.313 -0.938 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 -5.230 -1.687 6.014 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 -5.960 -2.508 8.800 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 0.163 1.004 -2.061 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 2.733 16.820 -4.087 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 0.282 -34.170 -19.633 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 -2.141 -0.003 1.410 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 -3.791 -9.926 -4.236 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 0.210 17.217 11.783 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 -3.005 2.494 4.658 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 -9.222 1.000 7.607 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 -7.457 9.603 -2.034 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 5.298 -1.322 2.536 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 5.841 -0.199 2.811 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 15.139 -9.660 2.111 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 0.609 -2.264 -4.162 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 8.828 2.290 -6.594 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 18.353 5.559 -7.495 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 0.726 0.229 5.537 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 0.608 0.242 6.105 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 6.912 6.572 -10.932 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 -0.188 1.419 0.823 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 15.463 -9.405 11.269 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 -8.052 17.333 -9.921 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 -6.182 -3.917 3.970 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 18.078 4.245 -1.491 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 -5.789 -4.280 0.936 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 2.901 -1.031 1.571 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 -13.243 12.491 15.123 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 14.177 -10.444 -23.708 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 4.327 5.295 -2.284 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 -1.685 -0.278 -3.881 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 0.612 12.264 7.836 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 -1.972 -4.176 -7.472 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 -31.269 -3.319 10.320 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 -24.107 11.752 7.452 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 -0.838 1.968 -5.390 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 4.097 10.277 4.977 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 9.224 13.640 -4.565 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 1.009 -2.667 5.259 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 12.349 31.155 11.347 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 1.144 10.598 9.626 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 2.492 -0.491 -3.033 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 5.063 26.177 16.405 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 3.473 50.465 -18.998 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 3.873 0.037 -0.839 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 1.781 11.319 24.886 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 2.683 5.318 10.495 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 2.096 -1.668 -5.283 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 1.016 -1.667 -6.264 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 10.816 -0.509 5.915 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 0.920 4.483 -4.148 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 4.417 -3.155 11.609 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 -15.137 -2.942 -2.764 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 1.702 -2.553 0.397 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 6.886 18.095 -13.257 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 -11.819 13.971 20.579 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 3.550 4.251 -3.341 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 -12.150 -4.299 -24.345 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 5.852 18.809 -20.680 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 9.214 -1.252 2.059 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 13.529 2.343 -3.649 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 9.741 0.907 10.277 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 -3.056 2.009 6.263 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 -11.968 1.260 0.972 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 33.526 25.712 18.070 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 -1.644 -1.408 8.534 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 8.517 17.449 10.026 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 11.826 24.109 10.831 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 5.910 -1.647 -1.998 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 -26.140 -15.438 -5.493 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 17.988 -8.405 -26.378 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 4.558 3.774 1.784 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 20.364 -0.797 5.925 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 -35.771 -25.269 21.879 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 3.873 -1.803 -1.133 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 6.933 14.978 13.121 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 8.690 11.567 2.987 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 2.712 -2.771 -1.706 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 -7.089 -20.127 -4.760 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 -4.740 -16.214 -1.281 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 -0.494 6.382 2.475 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 -8.762 1.246 6.971 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 14.965 -8.737 -32.881 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 -4.265 -2.396 4.923 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 18.890 9.924 1.791 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 17.510 9.309 1.914 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 -1.066 -4.618 -4.020 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 13.731 1.237 19.406 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 9.029 -0.338 36.349 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 0.369 1.610 -0.899 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 -11.050 0.503 4.405 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 15.998 5.902 -9.443 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 0.208 -2.461 -8.124 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 10.398 11.317 -13.730 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 -2.637 -6.860 3.473 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 -2.595 -6.019 6.033 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 -26.779 -15.494 3.206 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 -1.532 2.022 5.278 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 -4.910 1.534 5.915 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 -7.376 -15.121 -5.711 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 -20.278 6.585 16.816 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 1.358 -7.981 0.418 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 -13.359 1.679 -13.955 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 -13.237 5.838 -17.080 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 -7.592 -3.590 2.265 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 -5.363 -10.062 -4.176 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 -8.102 -2.685 3.922 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 7.098 1.349 0.450 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 15.089 -15.485 -7.008 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 -15.069 2.318 5.516 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 -2.870 6.571 2.128 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 8.656 13.052 -1.856 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 -6.300 -6.127 -0.919 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 -7.862 -3.419 -2.976 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 -26.439 16.766 -18.561 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 -3.433 -6.541 -11.898 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 6.801 2.473 0.379 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 -19.260 -18.092 -17.447 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 -1.735 -13.591 20.241 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 3.516 -4.836 4.664 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 12.936 -5.870 -1.053 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 -3.170 -12.006 6.856 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 2.085 1.977 1.296 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 7.017 -10.324 14.924 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 6.158 17.792 -4.470 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 -5.249 0.543 4.065 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 -7.137 0.475 6.860 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 -3.109 7.885 7.499 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 0.402 2.299 -0.318 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 -4.390 7.908 3.295 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 -8.936 -14.624 -22.609 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 -6.030 -6.429 6.126 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 -12.955 -4.150 -0.220 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 8.937 1.143 15.476 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 0.259 -6.750 5.013 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 31.039 -13.589 5.868 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 26.567 -20.432 -11.751 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 -6.609 2.695 6.374 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 8.848 10.163 20.689 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 -3.569 -9.922 -28.654 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 -7.544 5.845 1.998 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 21.496 10.860 -0.217 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 -19.820 20.453 -19.891 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 -2.596 -0.990 0.324 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 0.600 5.933 5.377 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 -4.930 -9.329 -6.907 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 11.108 2.844 -0.022 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 -3.206 9.688 -21.254 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 -27.068 -17.926 -6.932 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 -1.669 3.457 -5.040 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 3.423 15.962 5.904 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 -5.746 -4.978 13.844 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 -5.779 -2.600 4.309 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 -0.076 -1.447 3.111 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 -2.400 -4.024 -11.059 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 -1.781 -7.161 7.885 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 -11.799 2.619 -12.719 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 -7.362 -21.005 21.697 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 6.691 1.751 3.928 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 -11.590 -11.364 -23.028 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 13.459 8.588 10.150 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 8.131 3.469 -1.307 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 12.341 5.936 4.423 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 -19.632 10.850 -2.189 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 10.360 1.628 -5.984 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 -15.665 4.495 15.845 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 9.176 6.532 -0.201 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 0.668 1.649 -0.820 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 1.581 -1.894 -4.752 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 -2.958 2.085 -3.574 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 -0.003 -1.912 -0.101 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 -9.152 4.253 -13.435 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 8.039 12.102 7.100 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 -1.377 1.047 2.786 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 15.370 1.908 -2.773 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 -20.931 10.906 -2.944 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 3.016 12.202 -11.988 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 -54.557 8.765 -0.541 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 19.283 -1.355 -24.936 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 -5.555 2.625 -3.176 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 -5.490 14.394 -12.763 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 13.601 -16.767 -35.896 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 -0.435 3.722 -0.332 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 -15.931 -3.814 0.362 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 12.008 -8.286 5.294 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 1.719 4.929 -1.696 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 -28.742 5.644 -9.327 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 -31.107 -11.657 13.243 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 -0.195 -1.045 5.908 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 -10.129 10.311 -12.847 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 0.362 -6.759 -10.222 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 -5.847 -2.415 6.247 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 -18.923 0.224 -2.761 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 4.255 -0.206 9.428 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 -3.045 -12.114 1.626 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 20.643 -11.939 -18.431 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 -2.402 -12.980 0.710 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 -0.551 1.658 -8.012 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 -1.948 4.956 -2.960 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 -13.932 7.852 19.354 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 1.362 5.353 2.873 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 -9.508 18.790 7.097 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 -9.050 -6.871 -5.647 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 1.648 -4.165 0.784 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 -0.205 -2.963 3.530 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 -1.034 -4.620 7.171 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 0.253 4.770 -0.132 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 12.502 -0.280 -1.171 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 37.324 -7.982 -6.006 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 2.885 -2.521 -1.405 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 7.936 1.999 17.248 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 0.749 -2.040 12.842 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 4.012 3.402 6.464 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 -1.002 3.968 17.900 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 7.997 4.623 -0.103 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 -1.691 3.358 7.385 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 -4.629 -2.459 -6.377 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 -4.919 4.773 11.934 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 -6.960 -0.252 -1.804 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 -13.268 -19.710 6.109 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 -10.074 -19.979 2.813 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 -2.223 7.132 5.090 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 -13.289 -9.047 -6.050 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 -0.784 -18.866 -24.552 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 0.844 2.340 -6.003 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 13.667 -13.926 14.947 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 5.990 1.529 9.281 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 4.716 -3.198 -0.507 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 5.550 -6.254 -10.620 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 -4.518 -1.444 0.398 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 -2.717 -4.210 -5.949 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 7.286 8.860 -25.294 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 -0.655 -0.538 -11.811 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 1.814 6.354 -7.867 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 -23.970 -0.515 -27.103 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 -10.472 -7.957 22.287 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 7.271 -4.620 1.507 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 15.109 0.662 2.715 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 28.299 1.854 5.363 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 -1.319 -1.320 5.527 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 1.828 13.785 -1.801 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 5.506 -11.474 -16.452 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 3.728 -2.479 7.517 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 0.428 -4.208 -1.458 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 -1.915 -18.835 -6.754 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 -0.775 2.423 1.298 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 -2.273 0.252 -11.690 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 6.002 5.187 -15.274 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 2.561 -0.471 -5.776 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 -10.475 -3.364 0.286 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 14.698 9.432 5.774 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 4.256 -7.786 2.145 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 6.259 -4.238 -3.383 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 -10.765 -24.234 -20.813 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 -2.482 10.386 6.676 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 31.643 1.530 -0.381 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 -25.079 6.146 -10.684 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 -4.310 5.776 -0.193 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 -9.628 19.738 4.532 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 -6.318 2.593 -2.249 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 -0.998 4.811 -0.722 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 -3.231 8.644 -7.426 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 8.490 7.360 7.063 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 3.082 0.900 -1.584 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 13.992 2.588 -2.300 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 -3.629 9.339 6.820 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 2.462 -4.375 5.843 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 19.401 -1.901 -21.939 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 -12.034 3.062 2.507 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 3.580 8.631 2.117 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 -4.229 13.046 -4.503 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 -2.957 16.254 -1.742 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 2.673 -8.061 -9.509 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 4.952 10.258 0.841 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 3.451 -1.873 -5.886 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 -4.766 -3.380 -1.806 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 -17.905 -11.133 6.768 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 11.397 0.765 -18.296 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 -9.312 -7.737 -2.689 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 -23.670 -7.208 12.476 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 -9.257 6.147 0.509 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 -9.601 -1.728 -4.470 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 -10.384 3.161 -7.462 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 -8.821 0.367 -0.537 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 1.321 5.323 -12.097 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 15.198 8.174 -3.693 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 -10.164 3.946 1.010 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 0.471 -3.884 7.042 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 13.875 -27.610 -9.719 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 -14.571 -2.808 11.930 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 -3.536 1.988 -2.289 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 -18.613 14.952 9.865 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 -0.722 16.314 -22.621 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 -4.339 6.859 0.539 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 2.928 3.097 10.679 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 0.548 17.390 -29.095 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 -3.478 -2.323 -3.466 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 1.120 -5.612 -7.291 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 -29.229 14.476 15.657 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 2.903 0.373 -1.328 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 0.475 4.229 9.854 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 -6.420 -6.866 24.015 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 -6.114 -5.428 5.571 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 8.130 -9.350 3.599 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 -13.710 8.479 10.842 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 -1.685 -5.697 -6.377 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 -9.329 1.468 -12.454 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 -16.015 16.911 -15.053 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 -3.577 -0.390 3.654 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 1.160 10.118 -11.787 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 8.359 -8.149 1.227 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 5.250 -2.083 -1.572 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 -9.190 -14.125 15.453 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 15.380 11.887 4.266 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 -7.177 2.465 -1.306 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 -19.331 3.242 1.204 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 8.376 -7.842 18.994 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 -2.169 0.343 -4.474 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 5.627 -12.442 22.012 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 -4.559 29.519 -26.135 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 0.122 -2.020 -3.588 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 5.469 -7.974 6.000 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 40.430 -31.900 -8.236 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 -2.784 -0.072 3.596 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 14.087 -11.242 10.550 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 2.449 -3.454 -0.635 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 -3.687 5.427 -4.799 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 13.021 -27.056 2.077 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 8.458 -17.889 0.327 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 0.238 3.361 0.729 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 -19.166 8.283 -0.508 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 9.523 -15.841 19.156 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 -0.689 7.949 2.262 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 13.045 -8.507 -8.398 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 -14.989 3.823 6.981 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 5.020 1.736 0.146 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 -0.735 20.895 20.173 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 -0.243 -20.550 -10.246 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 -1.723 -4.482 1.712 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 -11.197 7.454 -1.674 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 10.724 2.723 7.219 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 -1.333 3.019 -1.830 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 -7.360 2.768 -4.993 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 6.387 2.493 -7.298 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 -0.596 -1.918 3.321 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 -12.598 -19.196 -7.390 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 0.117 9.016 -4.124 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 -1.605 -0.983 3.592 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 1.175 3.129 17.893 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 -1.640 -19.280 8.966 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 0.482 1.315 -1.353 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 -6.061 17.288 1.344 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 -10.745 4.454 -16.672 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 -2.706 -1.384 -4.427 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 -27.944 -0.996 2.410 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 -1.707 5.118 -3.346 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 -1.352 1.848 -0.013 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 -17.070 -5.415 9.007 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 14.760 -2.181 -2.186 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 -6.726 3.129 -0.068 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 -19.279 1.096 -0.974 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 -4.788 1.808 -3.879 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 6.877 -4.181 -0.790 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 33.867 1.698 10.597 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 -10.300 -11.829 1.495 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 -2.325 -1.284 1.490 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 5.279 12.648 -3.343 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 7.036 -7.887 34.529 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 -6.019 5.734 -0.024 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 -6.320 -8.061 -3.172 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 -6.961 -27.195 0.219 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 -2.669 -3.612 5.709 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 -4.177 19.490 27.762 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 -23.203 -10.593 10.703 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 -5.224 -1.932 1.155 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 3.293 9.716 -14.751 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 1.931 -14.930 -8.298 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 -3.300 5.655 -0.495 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 -12.197 13.570 21.573 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 -18.082 16.311 -17.767 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 -1.399 -0.507 -1.550 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 -7.938 16.110 5.836 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 -5.104 -5.549 10.945 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 2.608 4.852 -3.017 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 -3.954 7.593 16.394 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 -8.737 2.765 -3.620 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 -0.612 -2.668 -5.367 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 14.538 -14.639 -12.508 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 4.725 16.171 -8.656 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 -4.216 -3.962 0.274 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 -0.121 13.536 27.190 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 -32.371 -2.732 -0.424 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 -1.179 -1.472 -0.529 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 -13.385 -8.309 16.103 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 -0.937 11.014 -0.496 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 -1.368 2.404 0.027 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 -27.705 11.979 1.336 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 1.973 -7.062 -10.139 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 0.753 2.272 -4.748 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 10.870 -3.638 13.650 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 -9.390 4.549 -1.670 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 -4.557 1.392 2.874 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 18.992 -15.082 4.105 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 5.447 34.210 9.088 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 -5.297 9.535 -1.638 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 20.607 32.420 -5.676 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 9.892 -8.998 12.297 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 -0.848 4.766 -1.754 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 -28.452 24.572 6.113 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 -1.532 3.240 15.861 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 10.203 -2.608 0.464 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 -2.186 -8.312 -1.295 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 18.612 -10.097 1.693 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 -4.820 2.454 1.729 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 0.780 -2.444 14.719 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 8.767 14.006 0.011 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 0.728 4.178 1.359 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 -12.533 -6.515 -19.236 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 -4.746 0.528 8.091 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 0.098 4.371 -1.279 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 7.015 -5.081 -6.023 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 -0.537 17.810 0.622 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 6.379 -2.440 0.706 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 -6.903 0.558 -29.871 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 -11.553 21.366 1.157 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 1.971 -0.792 1.528 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 10.898 16.079 3.567 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 -0.953 -14.952 -1.181 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 3.037 -5.256 -1.223 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 -4.828 0.070 -7.065 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 4.619 -5.003 -5.179 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 4.698 0.988 -2.604 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 6.319 13.547 -16.392 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 3.676 -2.881 0.094 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 0.491 3.292 -2.216 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 4.081 14.138 19.911 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 22.881 -7.545 -11.775 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 1.203 -0.448 -2.384 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 -15.381 8.076 0.683 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 9.784 -5.575 -3.605 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 -6.511 -1.726 -1.468 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 11.495 -16.663 -14.939 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 -6.667 -17.261 10.531 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 3.901 -0.344 0.593 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 -13.496 -8.104 3.447 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 -4.799 12.581 17.784 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 0.923 1.797 -0.313 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 6.580 1.183 4.043 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 5.034 4.116 -4.712 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 -3.218 1.003 -1.891 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 6.972 -2.560 -17.584 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 4.158 2.978 12.718 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 -1.730 2.418 9.115 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 10.843 -5.158 8.591 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 -10.709 0.611 -5.230 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 0.246 1.419 -3.079 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 -8.629 2.463 -9.545 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 -5.929 10.872 3.270 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 2.817 2.898 0.058 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 -8.202 -2.628 -11.033 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 10.271 8.311 4.504 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 -5.549 -2.080 -7.080 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 5.156 -15.332 3.819 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 -9.158 5.472 6.201 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 6.907 6.101 -4.694 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 2.945 10.018 -3.389 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 5.696 10.759 -3.486 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 -2.670 0.158 6.401 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 8.097 -2.729 -9.404 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 -15.393 -14.260 29.488 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 -1.327 2.700 3.741 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 -3.814 -10.293 -8.738 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 -12.338 8.943 -0.988 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 -1.358 -8.854 -6.219 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 -1.059 -9.550 -9.379 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 -4.099 4.642 5.957 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 -4.844 -0.423 -0.307 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 11.817 0.197 12.311 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 -4.542 16.600 6.709 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 -0.513 -5.623 4.860 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 1.955 3.207 9.408 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 1.323 -4.563 2.714 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 -7.565 0.504 -5.560 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 -1.664 -12.819 9.883 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 -14.494 10.239 2.740 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 -6.259 4.361 1.870 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 -2.758 3.448 -22.363 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 -0.162 -15.828 9.724 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 5.841 3.435 -0.156 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 -4.506 16.319 29.421 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 -11.307 11.216 9.481 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 3.993 2.335 2.637 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 6.154 -0.832 4.026 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 1.203 14.421 2.466 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 6.779 0.646 2.794 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 -3.259 -6.570 -22.300 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 -5.763 -0.463 -14.159 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 -2.743 -4.215 -4.843 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 1.771 10.023 -8.769 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 11.418 9.059 15.129 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 4.414 2.050 -6.389 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 -8.510 -7.867 -23.190 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 2.062 -1.221 2.248 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 -0.044 2.684 9.888 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 -11.679 4.940 10.234 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 2.973 15.093 3.722 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 3.217 -0.506 -5.192 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 -2.915 19.682 -29.121 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 -6.277 19.154 -29.515 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 -1.918 -8.278 0.950 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 3.205 -8.633 6.182 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 3.609 -8.835 -22.217 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 1.402 1.850 -6.024 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 -20.516 -11.832 -0.515 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 9.750 18.704 -25.387 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 0.614 -4.028 1.104 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 8.953 -8.015 13.775 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 -11.803 -9.076 -17.799 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 3.988 -7.313 -1.759 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 9.569 1.875 12.566 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 -7.695 3.307 -11.149 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 -0.648 -2.329 4.357 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 -24.403 -6.926 -16.515 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 -0.191 26.365 6.584 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 -2.263 -2.560 -0.933 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 2.858 13.543 -0.985 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 3.392 5.686 1.661 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 -4.758 -8.586 9.378 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 -3.153 -11.429 0.637 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 -3.639 -1.038 27.888 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 4.125 4.042 2.832 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 -6.040 15.536 8.951 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 -4.203 -9.925 -17.056 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 -2.006 2.264 -2.983 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 1.923 0.581 -12.682 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 -9.162 -23.355 7.394 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 -1.858 1.794 6.133 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 -7.957 9.246 -7.826 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 -7.098 0.684 3.411 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 -3.893 0.617 -1.872 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 1.988 3.357 -3.221 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 -10.529 -1.602 -7.932 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 -0.793 -7.934 4.597 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 22.591 3.842 -5.138 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 8.651 4.700 5.959 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 -5.486 3.688 -4.014 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 -7.447 3.892 -14.816 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 -3.105 11.615 0.339 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 2.704 -1.275 -0.775 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 -8.841 10.159 9.043 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 6.229 -7.373 -8.616 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 -1.836 -6.720 -3.160 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 21.653 -10.690 -8.376 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 1.045 -10.512 33.066 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 1.772 -3.686 -2.191 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 -2.210 5.189 7.323 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 1.137 -0.277 3.683 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 -0.385 6.311 -0.232 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 24.677 10.995 -4.310 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 -11.655 -3.367 0.189 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 1.250 -6.057 -1.567 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 9.627 -1.549 5.966 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 -3.322 -6.364 -5.869 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 3.355 -6.922 -1.429 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 14.016 6.520 19.655 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 9.286 0.025 -9.032 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 -2.731 6.354 -0.359 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 3.745 6.114 -7.564 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 -3.850 13.938 -0.943 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 6.310 3.935 0.940 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 0.450 10.538 1.650 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 -3.611 16.564 1.370 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 -6.200 -2.086 -7.906 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 -14.016 18.618 4.743 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 -15.233 2.215 -3.903 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 -8.806 -7.348 -3.635 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 -1.206 -14.724 -22.511 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 4.248 -12.537 6.034 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 -8.150 -5.627 2.404 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 10.558 5.295 16.527 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 19.915 4.391 -4.742 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 -1.607 -0.677 1.569 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 -14.365 17.283 -28.180 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 6.877 -9.616 17.860 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 5.956 0.352 0.499 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 -4.038 -24.624 27.348 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 16.657 -8.244 1.577 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 0.859 -3.134 -0.556 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 -15.048 5.716 15.459 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 -16.095 -3.371 2.450 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 2.645 3.037 0.520 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 13.436 15.092 2.115 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 -7.099 -7.373 -9.680 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 0.177 -0.082 -4.720 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 6.468 11.179 24.028 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 4.659 6.488 -2.624 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 2.438 0.908 4.650 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 -3.941 -1.776 5.233 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 1.290 3.123 -4.354 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 -2.013 2.344 0.650 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 8.205 23.804 -19.183 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 -11.359 8.137 -10.418 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 3.714 0.592 2.353 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 -6.967 21.738 -8.681 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 9.992 -7.212 3.855 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 6.769 -1.251 0.654 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 12.693 -1.594 0.317 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 -4.420 -6.900 28.566 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 -2.719 0.881 -8.177 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 5.236 -7.698 -7.007 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 9.988 -11.016 4.417 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 5.757 -1.275 4.179 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 7.315 2.968 4.312 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 13.652 0.308 13.769 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 -2.317 5.386 -1.622 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 -14.710 14.682 0.285 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 -6.788 4.827 -10.355 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 3.880 6.777 4.623 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 2.273 -0.847 17.264 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 5.350 4.598 11.468 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 -6.131 -5.633 -3.860 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 0.072 15.544 7.905 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 -14.563 5.381 6.184 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 -0.911 -4.774 0.716 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 -5.364 -3.877 5.347 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 4.121 -0.294 2.366 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 -0.944 1.097 -2.031 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 13.107 -4.148 1.711 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 -12.674 8.340 -4.586 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 5.410 0.988 -0.950 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 4.675 -3.824 -1.826 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 4.984 -1.036 -4.834 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 -1.914 4.762 -1.906 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 10.740 28.748 30.016 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 4.437 8.003 -4.755 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 -1.938 -3.191 -3.466 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 2.149 -3.434 0.202 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 -0.964 -9.335 -7.553 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 -8.399 -6.104 0.009 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 -20.397 14.874 15.841 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 -9.784 -6.985 -0.316 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 2.697 1.449 -3.406 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 7.162 -10.734 2.478 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 7.001 -7.276 6.065 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 -0.228 2.053 4.956 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 -3.983 10.167 10.296 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 7.694 13.097 -1.238 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 2.897 -0.728 -0.140 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 6.603 5.191 -8.368 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 -1.017 -2.441 10.351 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 -0.018 -1.447 -0.725 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 -5.650 -0.201 7.087 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 -6.612 4.915 -9.021 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 0.516 -3.867 -2.353 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 -7.772 1.888 -1.327 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 -9.295 7.579 8.267 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 1.788 -1.301 -0.863 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 10.780 0.197 3.148 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 6.539 9.754 12.608 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 2.181 -0.860 -2.748 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 -7.599 -27.541 -1.079 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 3.964 5.490 -30.668 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 3.400 -7.277 -0.504 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 -3.416 14.457 2.300 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 -14.129 -14.513 -10.570 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 4.045 4.815 -6.660 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 37.573 -9.931 15.124 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 -23.323 -14.450 14.763 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 1.715 -3.912 4.858 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 6.851 -14.132 -18.579 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 -4.203 3.006 2.755 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 7.080 1.734 -5.732 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 -7.947 9.729 13.068 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 -4.256 -10.862 -22.301 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 -2.115 -1.494 -5.979 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 0.689 11.767 1.550 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 13.922 2.999 2.956 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 0.418 -2.511 0.146 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 13.192 -16.288 -14.882 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 -13.937 9.789 12.629 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 -4.026 -0.498 1.266 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 -6.532 -3.404 -13.341 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 -11.155 15.388 2.561 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 0.387 4.205 -1.812 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 -3.412 5.617 -10.764 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 15.602 1.592 6.456 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 -1.184 -1.272 2.330 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 0.688 0.986 -8.231 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 -3.451 5.835 15.724 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 1.734 -2.511 2.403 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 34.325 -26.693 18.671 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 -18.821 -7.780 16.148 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 -0.983 -4.843 1.230 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 -2.898 15.723 -3.569 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 14.917 -25.373 -24.894 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 -1.533 -4.635 -0.958 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 -34.993 2.473 -16.662 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 3.120 -21.474 -9.788 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 2.796 5.217 -9.550 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 14.817 -2.157 -7.113 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 4.793 4.112 -9.753 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 -2.060 -7.446 -4.126 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 -7.182 6.275 9.990 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 -3.726 6.654 -25.737 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 -0.300 2.423 -6.976 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 -5.370 22.760 34.096 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 3.785 -5.846 -13.536 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 1.735 -8.500 -3.241 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 6.634 -10.699 -7.031 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 -12.739 -4.550 13.301 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 1.132 3.293 -1.345 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 8.831 -1.374 5.354 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 5.812 12.872 3.303 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 -2.282 -7.975 -3.312 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 -13.444 -10.803 2.547 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 0.319 -5.716 -0.382 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 1.156 -2.311 -1.308 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 5.772 8.218 18.975 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 -1.837 -6.990 4.003 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 -8.560 -7.592 -6.051 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 8.237 19.891 13.797 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 7.768 15.760 1.132 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 0.801 -1.201 0.736 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 3.407 -11.697 1.093 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 -20.459 -9.531 -39.634 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 -2.331 -1.677 -1.929 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 -17.147 9.719 12.966 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 -14.652 -20.630 7.774 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 -6.374 1.907 3.769 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 7.722 -0.917 6.411 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 -2.131 6.482 -10.779 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 1.430 6.222 1.916 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 1.099 5.013 13.470 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 -3.647 -2.344 -1.014 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 -2.672 -0.646 3.299 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 30.753 -0.684 16.478 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 -4.573 0.972 -8.595 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 1.943 1.637 2.111 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 12.692 10.908 -14.539 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 -4.263 19.863 -9.695 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 0.042 -8.339 -5.086 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 1.856 -0.995 10.885 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 19.550 -2.891 -16.313 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 -0.620 4.812 -4.983 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 6.266 -18.909 21.531 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 21.168 27.441 9.427 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 2.715 4.066 0.087 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 3.139 6.350 -2.953 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 -2.760 4.554 2.227 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 4.613 -3.774 -5.663 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 -5.138 11.286 10.959 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 0.729 12.000 4.416 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 2.438 6.677 -2.405 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 11.998 -0.678 4.746 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 -5.120 8.680 -5.489 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 -1.341 -6.301 -2.816 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 14.617 -15.851 7.417 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 16.547 -26.127 -12.518 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 -7.902 1.797 -5.218 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 -8.588 3.478 -0.192 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 -10.906 -1.923 -5.005 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 3.159 -2.481 -0.111 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 10.149 -10.362 -1.312 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 9.181 5.517 4.844 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 -9.445 0.785 -0.653 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 2.921 -10.259 -1.533 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 -0.348 13.721 -0.416 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 5.252 5.251 -2.468 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 -13.416 11.815 -8.913 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 3.286 2.959 0.702 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 -3.478 -1.475 -0.491 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 23.868 -5.339 11.846 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 -7.675 12.286 -0.929 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 2.248 1.166 1.031 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 -7.647 -8.336 3.182 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 -6.525 -5.351 -1.477 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 1.762 3.510 2.199 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 -7.459 4.178 16.461 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 -12.953 -0.282 1.850 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 -9.171 6.205 -0.349 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 -6.399 7.074 -24.802 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 -9.650 6.273 4.043 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 8.059 -8.249 -0.676 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 28.451 11.016 -8.231 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 11.481 -11.410 2.958 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 -2.302 -2.683 -6.538 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 12.609 8.594 -19.248 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 -7.687 14.817 -4.792 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 -4.825 0.872 3.875 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 4.064 -0.725 7.676 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 -7.310 -6.105 -0.446 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 -4.183 -5.787 5.101 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 -14.866 17.176 -7.665 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 5.178 15.689 -14.565 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 1.017 -8.021 -2.853 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 -1.146 -17.505 4.174 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 0.872 -6.906 -3.682 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 1.808 -4.401 -5.943 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 2.045 14.696 -5.220 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 -0.975 -9.056 9.589 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 1.996 -0.470 5.056 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 0.448 -10.070 22.917 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 5.187 12.472 -18.376 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 3.529 -1.410 0.888 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 3.259 -1.108 -0.413 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 12.956 -9.327 15.645 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 5.664 -2.486 -1.361 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 7.876 7.819 -6.100 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 -12.708 -2.946 19.556 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 0.452 -5.668 0.429 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 17.188 0.989 10.203 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 13.485 -7.222 5.557 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 3.549 0.069 3.249 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 4.674 -8.980 -3.939 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 16.130 -8.909 -0.133 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 6.989 1.558 -1.825 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 -4.512 5.273 1.925 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 6.789 11.833 11.287 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 -0.676 -3.125 -2.254 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 11.112 11.440 9.461 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 -0.571 -2.814 -1.035 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 -0.230 -4.937 6.759 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 9.759 -8.366 5.388 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 2.617 -3.746 -18.269 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 -6.335 1.764 0.052 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 12.684 13.973 -21.546 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 -6.414 2.876 4.808 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 0.682 -1.975 -3.506 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 -14.027 19.478 -0.183 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 -12.672 -18.342 -7.619 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 -6.361 3.305 6.563 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 -20.311 29.957 -7.432 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 -14.334 -14.163 12.677 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 0.971 -0.325 0.356 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 29.464 -21.212 -20.215 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 -5.938 6.273 3.255 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 6.106 -4.646 0.525 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 20.709 -7.572 16.486 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 10.084 14.701 2.480 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 -6.082 -3.845 1.147 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 3.784 -27.607 -7.132 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 3.295 16.410 10.961 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 -3.266 5.401 -2.506 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 10.002 28.082 -11.956 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 0.250 16.377 5.541 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 -2.575 -6.568 4.056 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 10.210 -7.268 -15.100 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 -11.300 -6.041 18.223 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 0.041 -4.080 6.643 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 -10.264 20.186 9.630 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 18.224 23.443 18.742 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 0.751 4.169 -3.769 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 -0.328 1.519 -1.437 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 -3.268 2.670 5.838 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 -2.288 3.038 -2.607 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 -16.468 -14.251 23.958 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 12.697 12.681 -5.594 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 2.414 5.244 2.898 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 9.525 11.826 12.601 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 40.528 8.472 -32.877 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 3.416 7.769 2.520 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 8.460 -20.721 -1.507 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 4.682 24.429 12.513 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 2.734 -7.424 -1.827 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 -20.462 2.737 10.283 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 -7.820 -4.953 -4.709 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 -4.126 8.283 2.859 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 3.525 12.393 -17.111 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 6.665 -14.112 3.805 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 -2.809 1.359 8.378 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 -8.593 8.588 11.134 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 4.690 26.257 20.451 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 -6.936 -0.854 5.417 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 -11.836 -19.796 22.526 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 6.264 -42.286 -12.096 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 0.562 -5.023 -8.373 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 6.542 -5.633 1.349 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 10.396 -0.141 -3.929 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 0.615 7.415 -1.915 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 10.367 12.224 -3.822 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 9.551 -19.705 12.062 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 6.255 0.816 4.377 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 -22.009 6.958 -3.742 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 -33.175 6.479 -3.504 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 0.713 -9.500 -3.357 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 27.225 4.108 5.809 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 -8.302 -19.184 2.055 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 -0.171 -3.720 -2.478 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 1.061 -4.205 -5.990 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 2.595 2.485 -6.967 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 -6.795 -1.156 5.726 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 21.515 -9.667 14.534 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 2.484 -16.818 4.078 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 3.266 -7.150 3.953 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 19.512 1.615 25.054 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 -15.217 -14.685 -20.209 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 1.671 3.506 -5.127 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 20.066 -8.548 -19.816 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 -14.737 6.110 -2.052 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 1.782 -0.147 6.160 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 3.200 2.130 6.727 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 5.917 5.653 2.136 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 -3.990 0.410 7.070 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 7.090 -12.316 7.852 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 4.606 11.623 -2.335 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 4.283 -1.748 -6.401 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 -15.797 15.438 26.041 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 3.415 -0.905 3.452 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 -4.747 2.178 4.693 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 -7.676 32.615 15.420 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 5.803 1.418 3.698 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 -0.323 -2.820 -0.840 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 -5.353 -1.337 -6.662 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 -2.698 -0.948 2.757 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 -1.861 3.948 -3.331 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 -5.372 -18.590 4.522 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 -7.290 10.715 -16.707 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 -6.733 0.958 2.728 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 -5.602 11.429 -26.981 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 -0.767 -14.786 -5.734 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 0.279 3.093 7.679 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 2.598 18.891 18.842 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 9.455 -10.157 26.085 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 -0.915 -2.203 -1.046 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 -19.067 0.008 -14.409 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 -28.678 9.902 -8.131 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 -0.719 -1.034 3.713 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 -3.632 13.393 -12.783 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 -2.572 8.085 -7.327 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 -2.340 3.408 -3.782 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 -4.948 -5.893 5.970 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 12.383 -15.899 -0.605 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 -5.746 -8.595 6.143 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 -10.276 -9.207 3.310 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 -7.583 -24.519 43.869 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 -4.477 -8.697 -3.432 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 3.782 -20.792 -0.177 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 5.209 1.532 -7.076 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 -0.570 -0.904 -4.700 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 -23.931 1.852 3.128 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 20.425 29.624 -3.856 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 2.586 4.837 1.097 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 -42.754 -0.770 1.135 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 21.877 27.368 12.854 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 -0.363 4.603 0.894 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 14.107 13.808 -7.416 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 -14.363 17.052 3.345 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 0.635 -0.111 3.326 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 2.367 3.830 1.362 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 4.109 0.712 8.098 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 1.736 -1.213 3.763 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 14.311 -10.010 7.101 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 -16.956 -4.957 20.806 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 4.878 -0.090 -0.051 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 5.228 7.749 3.296 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 4.104 0.694 4.765 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 -6.025 3.478 1.993 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 5.975 19.774 13.398 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 8.335 21.654 17.370 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 7.215 -0.589 -2.156 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 16.622 0.968 1.972 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 -12.506 -0.805 -2.469 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 4.481 -6.923 3.444 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 -2.612 -25.124 15.719 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 8.729 -5.373 -3.662 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 -4.467 2.754 4.119 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 -3.518 -0.771 1.167 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 -5.424 25.104 6.276 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 3.563 -2.873 3.633 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 16.010 -10.910 -6.661 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 -0.870 0.396 11.066 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 -0.119 0.408 2.992 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 -3.703 13.396 -3.177 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 0.997 -2.555 -15.598 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 0.331 2.056 3.874 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 -6.782 15.970 -1.719 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 8.725 -1.137 16.767 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 6.062 -3.262 3.967 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 0.431 0.734 -5.661 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 -3.381 2.468 -3.565 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 3.392 1.458 5.665 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 -27.255 -0.421 10.124 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 3.138 -5.493 -16.391 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 1.890 -2.065 -0.582 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 8.768 18.145 8.747 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 -3.024 4.384 -24.542 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 2.813 -2.597 1.795 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 -30.249 4.508 -6.418 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 -0.360 -9.640 -0.768 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 3.080 -8.813 5.355 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 5.164 -2.046 -8.786 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 -0.740 11.892 -38.364 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 -5.955 1.245 -7.406 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 -9.545 -7.163 -10.256 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 -9.960 -5.687 -8.754 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 -3.261 8.437 -2.598 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 -1.684 2.437 -31.031 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 24.406 3.398 7.426 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 4.610 -3.295 6.990 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 -14.538 8.075 6.712 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 15.044 11.813 -8.852 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 -3.615 4.977 -2.143 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 -4.115 1.619 -5.371 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 4.985 29.519 29.565 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 -3.291 -0.772 2.327 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 -15.590 -1.462 4.394 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 -10.379 8.822 5.019 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 -4.617 -3.142 -4.237 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 -4.646 -2.564 -1.705 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 10.843 -6.307 20.829 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 2.722 -9.238 -1.549 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 0.842 0.392 16.301 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 41.070 10.225 -0.775 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 0.772 -3.927 2.191 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 -10.841 10.403 3.131 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 -6.116 4.748 -6.863 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 -1.544 -4.541 5.414 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 0.993 15.093 3.749 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 -10.521 13.445 -16.223 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 4.876 1.601 -0.732 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 12.187 -10.191 1.564 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 1.716 6.694 3.187 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 -4.103 3.073 1.197 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 -4.928 -5.043 6.366 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 -9.913 7.092 -2.535 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 2.808 -5.254 -2.019 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 14.405 -0.893 -3.017 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 33.206 11.325 -1.583 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 2.813 3.102 -5.177 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 -7.998 -20.674 -15.799 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 6.428 4.326 -7.282 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 7.082 1.265 0.044 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 -18.642 19.392 5.168 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 -17.233 -5.540 28.510 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 -1.424 -1.756 -8.012 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 11.781 -20.191 -1.817 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 1.072 -4.218 25.238 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 1.348 4.073 -7.366 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 -0.299 -8.610 -15.385 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 -14.206 15.345 -4.319 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 -3.389 -1.824 5.730 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 1.307 -2.060 10.618 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 -20.941 0.466 -17.709 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 8.772 -2.503 10.828 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 23.108 -3.396 17.388 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 -9.537 -11.276 11.514 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 -0.439 -2.738 1.432 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 6.482 -10.996 -5.584 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 3.488 4.529 9.027 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 -2.761 0.493 2.086 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 -3.249 4.251 -2.888 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 -5.117 -7.022 5.439 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 4.805 -3.673 3.369 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 3.098 -10.924 11.246 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 22.753 2.836 -8.390 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 5.271 5.988 -5.109 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 11.970 11.118 -0.897 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 9.305 1.794 -11.617 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 4.311 -0.541 5.401 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 14.911 10.882 14.439 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 -14.317 4.315 25.120 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 3.223 1.379 -2.583 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 -0.507 -0.836 -0.688 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 4.523 1.708 -0.859 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 -2.716 -3.985 -3.291 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 2.901 -6.541 1.935 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 20.376 -14.519 12.476 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 6.357 4.954 -3.337 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 4.571 12.915 9.466 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 4.039 11.982 16.524 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 -6.717 4.898 -0.546 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 16.173 11.763 9.473 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 -17.847 3.197 -19.768 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 -1.431 1.380 -0.152 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 -0.788 -11.697 21.665 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 11.330 4.759 5.852 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 0.200 -3.134 5.123 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 -5.219 -8.048 16.513 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 -3.798 -7.101 16.201 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 -0.458 5.788 4.768 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 -25.794 -27.355 -20.506 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 2.102 17.223 -9.284 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 -0.462 -6.480 4.663 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 15.098 2.019 -10.998 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 -17.887 10.050 2.760 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 2.209 -4.083 7.921 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 -24.754 -10.833 0.626 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 10.819 -0.662 14.433 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 -3.323 -6.730 4.087 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 -3.703 1.755 15.797 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 -13.738 -0.346 -6.775 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 5.124 5.169 -4.132 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 1.707 2.830 2.481 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 11.821 1.069 -5.313 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 6.192 -1.020 3.738 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 14.604 19.888 -2.897 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 11.285 10.187 -3.113 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 7.470 -2.348 -0.980 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 -6.367 -0.705 9.471 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 -1.747 1.359 -15.463 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 2.556 3.910 -0.492 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 2.624 8.594 -4.498 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 -24.453 -12.934 18.446 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 0.630 -1.135 2.315 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 15.966 -15.925 -2.423 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 -4.785 17.343 -4.983 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 0.965 0.490 6.178 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 6.969 11.691 -15.412 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 16.575 -6.013 5.221 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 0.594 -0.502 1.591 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 -5.268 4.125 0.095 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 -14.207 30.746 -10.571 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 4.632 -3.396 2.629 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 1.482 3.512 16.001 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 18.128 -19.288 0.402 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 4.024 -0.641 -1.684 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 -8.250 7.656 -14.464 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 0.951 13.354 13.187 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 -6.105 1.198 0.218 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 8.137 -23.123 -6.153 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 13.715 -19.787 22.814 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 -2.289 -15.040 0.985 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 15.329 9.060 7.064 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 7.480 -19.629 -24.726 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 -1.516 -1.500 -3.093 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 12.130 -20.763 -16.035 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 -6.159 21.200 6.728 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 8.719 4.337 8.908 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 17.830 2.759 5.774 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 0.374 6.587 14.561 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 5.179 0.167 -3.454 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 -6.372 -9.278 -23.927 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 -13.165 -7.714 -15.847 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 -3.215 3.936 -9.008 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 -0.888 7.362 -8.073 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 -9.599 -27.926 -25.235 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 -0.451 -1.535 6.633 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 -7.266 -3.751 -11.470 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 -1.463 -1.736 4.583 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 -0.863 -0.320 -0.469 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 2.182 1.373 -6.344 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 -3.346 7.418 -2.343 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 0.107 3.489 0.604 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 12.882 5.890 -12.057 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 0.573 7.865 10.961 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 -3.134 -1.971 -3.600 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 -11.455 11.740 1.851 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 0.840 21.697 8.158 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 3.579 7.623 -3.728 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 8.466 3.155 23.327 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 0.222 12.517 -20.266 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 1.115 -1.297 -2.336 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 7.929 -11.627 -7.554 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 11.945 -18.009 -10.973 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 -2.225 4.297 -4.934 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 -10.764 15.751 -5.394 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 3.254 3.892 -3.409 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 2.902 -2.504 -1.047 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 -0.342 2.951 -0.160 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 -12.401 -3.728 -2.980 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 0.556 -1.573 -1.017 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 -12.868 6.482 -1.145 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 -27.218 -13.185 -16.689 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 -2.478 1.347 2.883 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 17.485 18.478 -6.368 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 -7.864 -10.867 2.818 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 -0.325 4.772 5.704 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 -4.167 -4.697 2.581 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 -24.714 6.820 4.514 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 -6.825 4.963 4.043 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 -6.099 0.613 8.562 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 12.049 -15.149 12.459 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 6.152 0.329 4.688 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 2.758 -4.945 -4.427 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 22.244 13.446 -1.961 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 7.262 1.434 -1.560 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 30.516 -5.811 20.629 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 -9.626 5.320 -14.508 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 4.847 6.336 2.636 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 9.415 3.898 11.316 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 15.528 -2.328 -9.855 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 -8.087 7.021 -1.281 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 -11.964 11.038 -1.007 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 -15.981 4.868 2.152 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 -0.945 4.606 -5.802 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 6.976 -3.266 4.810 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 -22.217 7.542 -3.061 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 -2.503 13.542 4.476 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 16.261 19.752 -1.929 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 3.312 -5.049 -1.359 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 0.081 -1.476 1.065 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 -8.154 -11.855 7.758 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 -11.112 -37.088 5.751 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 -5.113 0.279 -1.896 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 4.440 -37.108 5.792 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 1.647 -36.151 2.062 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 -0.388 0.150 2.646 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 -0.227 -0.170 -1.152 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 5.920 0.085 -25.540 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 -3.371 2.154 -5.890 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 -5.752 4.797 -3.444 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 -13.512 -10.772 11.738 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 -8.304 -3.490 -0.716 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 -0.973 11.446 10.427 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 -10.044 -8.085 -3.948 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 0.542 -2.751 5.521 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 20.741 14.797 28.644 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 -5.685 -20.713 10.774 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 0.585 -1.414 -0.382 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 11.338 11.946 14.995 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 5.059 -3.771 -12.665 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 12.290 6.136 3.531 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 -1.875 33.094 0.300 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 -9.166 -6.767 16.249 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 -2.473 -7.464 -0.774 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 -6.370 2.809 -5.942 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 -1.337 -8.094 6.688 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 -5.283 -3.420 0.706 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 -3.522 -5.972 -1.867 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 -14.795 -1.048 1.898 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 0.673 4.570 -4.078 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 -24.558 -8.914 -13.188 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 -1.275 22.530 -23.896 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 -3.088 7.221 5.965 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 4.197 -2.826 -0.383 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 -0.643 4.352 -5.989 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 2.684 8.581 -4.201 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 -4.426 -2.608 2.896 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 5.085 11.791 -6.178 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 3.530 11.615 -4.717 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 14.913 14.162 -4.227 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 -27.188 27.079 6.183 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 1.264 1.244 -0.649 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 11.785 -1.151 -4.487 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 -6.940 3.753 4.588 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 -4.112 1.321 0.393 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 -10.894 -7.248 -5.962 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 18.886 -4.762 18.717 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 8.346 2.143 2.085 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 13.261 -1.350 -1.910 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 22.658 16.918 -10.003 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 6.167 -2.492 -2.711 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 -2.228 0.921 14.040 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 -1.152 24.403 7.434 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 1.264 -3.148 -0.974 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 17.565 15.909 14.115 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 12.017 -5.038 5.268 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 1.583 2.714 10.356 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 -21.180 7.090 23.175 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 -5.406 -1.596 0.461 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 -2.041 -11.183 4.103 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 33.833 0.296 5.605 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 -6.829 1.879 -29.994 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 -0.771 -4.793 -1.266 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 11.391 3.099 6.939 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 -8.790 -16.155 11.507 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 2.692 -3.312 2.574 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 4.714 -1.226 -0.581 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 -0.386 3.894 10.745 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 -2.965 -0.267 -10.456 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 -7.954 -24.628 8.336 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 -0.845 -3.063 -9.475 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 6.407 -2.162 -2.320 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 -7.602 -18.794 3.449 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 16.180 13.846 -7.124 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 -0.407 -0.373 3.572 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 -6.456 -1.738 23.968 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 20.101 5.176 -8.035 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 -6.825 2.285 -7.145 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 -17.241 -4.455 -4.053 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 -8.522 -3.408 -4.315 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 2.152 5.168 6.204 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 -10.351 -5.179 21.823 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 -8.978 16.148 2.656 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 -5.339 1.510 -3.346 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 -2.328 1.326 -14.419 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 -2.500 -4.255 -0.148 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 0.065 -12.723 2.737 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 23.370 -11.358 12.853 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 25.935 -10.508 14.583 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 -5.779 -2.456 2.730 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 -34.704 -11.959 -22.398 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 -7.973 22.212 -24.175 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 3.967 -0.663 1.869 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 3.497 -9.746 4.542 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 5.430 6.489 7.973 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 -4.338 2.411 7.027 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 3.788 -2.275 5.630 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 -5.504 16.537 -9.621 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 2.262 -6.944 -2.459 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 -12.155 -22.005 -6.175 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 26.971 7.902 -22.854 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 1.831 -3.474 2.951 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 5.665 11.530 4.445 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 -3.211 35.743 7.899 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 -2.148 -6.239 -5.005 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 5.157 24.004 -13.593 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 -17.153 0.025 4.463 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 2.003 7.096 7.441 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 2.351 -12.724 0.078 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 -0.971 -11.008 5.699 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 1.277 2.155 -2.337 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 15.318 -8.529 0.829 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 -0.382 -4.301 -5.401 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 5.099 1.696 9.950 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 7.974 16.602 -5.414 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 4.956 0.808 5.735 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 2.722 3.305 -4.195 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 6.470 1.895 6.801 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 -2.583 0.913 -8.862 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 -3.195 2.707 -1.912 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 3.916 5.712 -13.628 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 16.465 -25.427 -2.397 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 2.993 2.415 -2.407 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 7.602 6.081 -2.202 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 2.025 -0.576 8.140 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 -2.109 3.193 -2.011 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 -16.654 -10.207 -21.682 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 -16.673 -8.266 -14.809 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 -2.547 0.869 8.947 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 -2.414 11.145 5.240 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 -7.804 -3.638 9.376 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 0.872 -1.010 -2.418 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 7.810 1.985 -3.012 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 -7.280 -1.201 -9.108 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 2.933 5.130 8.473 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 -10.721 -5.717 -25.220 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 -1.384 5.773 -3.342 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 -0.821 -0.273 2.135 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 2.740 0.313 -10.398 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 -9.763 -30.489 16.061 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 -0.225 2.578 -0.679 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 -11.060 -4.055 21.418 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 14.270 7.794 -25.891 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 0.771 0.636 -2.455 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 -4.699 7.099 4.186 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 -6.453 -7.863 -0.778 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 -2.338 8.284 4.685 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 -2.930 -11.712 -5.842 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 10.024 12.099 15.206 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 6.573 -3.303 0.900 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 3.209 -5.427 6.252 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 6.470 20.635 11.004 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 0.704 -0.710 -15.509 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 -6.135 0.596 5.427 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 -17.822 -8.477 -8.062 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 -3.371 -1.876 -5.567 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 -14.484 -9.677 3.124 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 14.863 -7.150 -3.560 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 -4.821 -1.173 -1.888 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 -1.268 -3.766 -0.135 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 -25.262 18.844 0.766 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 1.750 2.482 -0.448 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 25.877 1.640 16.434 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 16.716 5.555 4.808 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 4.529 -2.329 1.568 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 10.110 -6.410 1.296 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 2.612 -0.768 1.785 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 0.676 4.275 -3.647 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 2.231 5.945 3.806 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 -0.122 2.815 -2.025 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 -5.375 -1.533 -5.072 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 0.140 -5.431 -14.887 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 -14.700 -4.235 15.451 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 2.113 -4.298 -0.940 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 3.399 0.822 -4.042 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 13.311 0.741 -5.747 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 0.203 -8.387 -3.798 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 -5.638 -6.159 5.811 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 8.514 -7.056 -3.600 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 -6.110 2.284 6.295 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 11.131 -13.225 -9.492 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 -21.300 21.925 19.171 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 1.599 2.122 -2.810 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 1.154 6.294 -15.936 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 11.031 -10.150 3.336 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 1.352 -4.810 4.715 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 14.723 -10.069 5.887 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 8.407 1.426 -4.911 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 -3.595 -0.571 -4.671 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 15.033 -1.804 -3.250 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 8.143 -17.243 4.969 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 4.028 3.422 -2.090 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 5.518 7.175 -1.600 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 -3.463 -12.561 15.127 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 -4.320 5.106 -3.881 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 6.369 -9.049 -7.639 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 -19.274 0.814 -19.759 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 -0.263 1.684 -4.989 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 0.273 14.275 -11.470 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 -8.521 -10.576 -10.387 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 5.497 -5.300 4.164 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 -13.543 25.539 6.173 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 28.399 -9.543 8.275 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 1.867 -7.677 -2.938 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 -1.970 26.413 -25.774 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 3.662 -4.676 20.497 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 1.925 5.652 -3.264 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 0.394 9.222 -5.175 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 7.842 11.800 -2.647 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 -7.838 0.273 -3.419 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 -8.444 -4.918 5.885 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 -7.047 3.671 -7.755 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 -1.041 4.328 -0.770 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 -0.125 5.705 -6.210 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 8.712 -9.783 -40.772 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 6.157 3.171 1.127 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 3.605 -18.324 -2.093 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 12.840 -0.648 -17.880 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 -2.312 3.423 3.572 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 2.005 -27.409 -5.768 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 18.141 11.334 22.911 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 0.520 -1.706 -2.673 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 14.108 3.717 1.293 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 19.701 -17.652 18.986 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 -1.636 -2.845 -7.045 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 -4.797 7.025 13.686 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 -0.844 -2.377 -18.968 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 0.977 1.342 -0.602 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 -17.637 -7.359 9.171 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 -9.795 12.096 -9.628 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 -3.753 -1.561 0.242 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 -25.621 -16.661 2.271 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 -11.381 -1.956 -7.593 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 1.784 -1.328 4.307 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 -17.828 -8.076 27.699 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 -18.761 24.217 -11.605 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 1.253 -3.377 7.421 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 -0.611 -3.394 -1.499 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 3.675 -1.462 9.268 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 5.659 -7.896 5.860 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 -19.211 -11.189 11.244 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 7.930 -8.052 -18.544 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 -8.342 -0.322 5.118 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 3.011 -11.542 -1.819 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 0.125 4.124 3.896 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 6.677 1.095 3.553 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 1.319 20.292 -28.897 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 0.829 19.551 -23.977 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 -2.809 -5.254 1.010 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 -2.802 6.612 2.002 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 -3.277 -4.500 0.672 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 5.232 -3.876 -6.419 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 12.473 -31.407 -23.781 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 -18.492 -0.617 -16.356 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 -0.568 5.360 9.863 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 -0.062 8.421 20.926 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 1.976 10.056 23.841 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 -0.967 -0.266 -1.515 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 -25.595 11.474 -22.753 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 -4.992 -2.056 -5.041 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 4.368 -2.436 -3.313 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 -2.369 -8.533 -2.663 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 9.513 -8.010 -17.007 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 1.077 2.215 -1.147 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 1.850 1.694 1.035 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 -9.379 5.559 -7.758 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 -2.883 -0.344 3.007 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 -12.409 -34.077 -1.464 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 -0.992 8.902 29.045 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 -3.144 2.420 3.978 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 -7.660 4.893 2.335 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 -1.147 0.671 1.414 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 4.667 3.879 1.764 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 7.831 3.211 0.399 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 3.720 1.355 1.961 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 -2.918 5.154 4.229 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 10.833 2.233 4.775 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 -4.167 16.197 12.013 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 -7.695 2.098 -4.769 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 -12.635 2.255 -2.478 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 -31.352 -1.132 5.037 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 2.667 2.552 1.600 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 -33.009 36.147 25.256 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 -14.925 17.806 12.564 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 4.920 -3.697 0.649 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 -1.955 13.491 3.581 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 4.138 16.368 -11.802 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 -6.667 -1.511 4.167 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 -3.908 0.825 0.093 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 -16.004 -1.488 13.432 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 -1.247 -3.856 -2.452 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 -20.433 -3.563 -16.345 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 10.540 -6.857 -12.111 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 -1.693 -5.316 5.078 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 1.400 -5.745 0.315 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 2.562 -6.211 -2.088 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 4.508 2.884 3.406 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 -0.331 -5.279 1.473 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 -18.745 16.544 2.120 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 -2.549 2.597 -6.899 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 -25.537 4.915 6.993 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 -9.821 -20.887 -26.387 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 -4.689 -1.006 -4.876 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 -10.019 21.886 0.552 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 -2.083 14.394 -3.183 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 -2.568 -3.993 -3.654 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 -11.509 -4.866 -16.833 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 28.289 0.504 -19.798 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 4.120 1.426 1.497 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 -2.934 2.207 -21.002 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 19.525 8.410 -6.843 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 -6.813 -0.691 -3.211 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 -5.765 -15.510 -5.847 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 6.071 6.607 -8.528 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 0.732 4.063 2.191 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 -2.141 14.132 -4.778 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 23.373 -14.111 -13.773 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 5.274 1.548 6.744 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 -1.976 29.043 -16.634 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 17.341 26.809 11.167 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 -4.219 5.659 0.944 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 -18.397 12.696 10.642 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 -1.299 0.597 0.802 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 3.443 -2.580 6.615 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 8.807 -11.107 5.215 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 9.262 -10.997 5.719 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 -1.368 0.794 5.371 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 7.546 2.188 -9.310 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 -10.806 6.886 12.645 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 -1.171 5.343 -3.013 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 -0.169 -2.000 -18.352 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 3.168 -10.661 6.739 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 -0.762 -4.467 3.572 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 -5.207 -12.272 -3.711 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 17.401 -13.959 15.116 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 3.696 -2.031 -7.343 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 -7.963 26.908 -12.802 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 -0.778 20.379 -18.738 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 1.170 3.110 -2.402 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 10.474 9.758 -13.348 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 -6.244 8.337 11.253 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 -1.119 7.727 2.807 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 -5.879 8.969 16.750 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 20.158 11.766 5.365 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 -0.862 2.058 2.368 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 -13.769 21.615 39.733 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 1.373 -2.364 -8.190 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 3.664 0.708 7.606 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 1.538 -4.191 -3.604 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 -13.750 7.007 6.573 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 5.975 2.380 0.471 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 -2.924 -22.368 -3.631 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 2.075 4.134 -3.715 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 0.736 -2.840 4.140 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 43.152 -10.499 4.871 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 -0.400 -1.837 4.695 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 -0.630 6.615 -5.496 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 -4.671 0.413 -5.479 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 -3.549 12.616 -3.410 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 -0.766 4.857 -0.798 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 -12.161 -4.878 -0.927 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 -2.202 19.817 4.240 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 3.173 1.046 -1.930 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 12.247 0.337 6.084 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 -14.799 7.121 -1.435 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 3.150 3.111 -2.161 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 -4.824 -5.968 0.748 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 16.055 15.630 -2.317 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 8.271 -8.448 -0.840 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 7.979 -17.081 -3.496 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 9.205 -10.793 13.112 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 3.569 -1.512 9.295 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 1.555 6.706 -0.202 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 2.976 5.218 4.284 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 0.367 -2.087 -6.128 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 0.658 0.048 1.645 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 -0.308 -12.534 7.260 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 -1.858 -4.868 2.992 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 -14.547 -2.624 -9.129 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 -7.734 23.342 22.192 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 -4.391 2.646 -5.153 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 -10.576 27.141 1.365 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 -10.535 16.047 -1.129 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 -1.156 -2.994 0.224 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 21.420 6.570 -12.925 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 -10.446 -20.499 2.293 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 -1.667 -0.312 0.116 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 4.177 2.574 2.420 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 -0.368 -7.275 0.776 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 -4.599 3.926 2.779 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 -1.720 5.498 4.590 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 21.559 36.011 -0.303 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 -2.742 -5.767 2.555 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 -29.957 -7.900 9.067 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 17.976 -4.032 -2.395 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 2.563 5.889 -1.953 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 -41.662 13.079 -32.150 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 -7.275 -7.072 6.802 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 1.195 3.109 3.435 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 19.120 -6.421 10.746 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 -2.974 -4.194 -1.172 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 1.238 -2.387 -3.248 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 -6.562 -0.994 -0.444 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 -13.375 1.533 3.891 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 -4.318 0.391 2.114 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 -7.216 9.613 -7.046 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 -8.852 -2.085 10.181 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 -0.289 1.816 -3.907 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 -4.594 -3.224 5.694 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 10.885 10.297 3.668 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 -3.066 2.296 10.635 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 11.311 16.513 3.329 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 -26.814 -9.699 10.405 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 -1.354 4.745 -4.968 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 -2.530 -9.945 -5.660 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 18.711 9.463 -11.047 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 -9.431 3.118 4.150 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 -0.748 17.505 9.380 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 -2.913 25.266 1.931 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 3.268 1.423 -3.026 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 2.587 -1.731 1.793 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 0.579 5.588 -2.925 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 0.487 1.692 0.065 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 3.306 -3.387 2.183 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 3.641 -0.975 5.785 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 0.367 -8.435 1.749 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 2.178 -25.939 -0.351 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 -4.376 -6.831 3.113 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 4.498 4.443 -0.329 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 7.024 -2.300 5.304 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 5.544 1.478 2.212 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 3.182 4.258 8.446 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 -1.434 45.858 -24.568 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 18.046 10.015 25.173 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 -3.129 -2.328 3.800 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 -35.633 17.691 21.614 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 -9.616 20.023 1.485 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 -3.513 5.492 0.212 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 -12.357 0.865 -9.997 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 -7.871 -7.539 11.946 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 -0.744 -1.489 1.073 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 -10.527 11.871 8.910 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 19.453 10.034 6.384 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 0.751 -2.099 -2.881 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 -9.943 -21.889 21.694 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 17.648 17.247 -45.225 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 -0.622 -0.962 0.020 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 5.653 2.106 -10.951 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 -2.824 44.905 3.533 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 0.501 -0.216 3.393 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 -2.513 -7.716 4.790 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 0.723 -4.376 -0.992 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 0.792 -2.666 2.063 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 -5.075 2.759 -5.398 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 -10.334 -9.945 -0.433 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 4.404 -2.379 3.357 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 4.506 4.724 8.268 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 8.787 3.906 6.806 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 3.140 -3.953 5.131 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 -23.631 -0.815 6.391 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 1.270 -1.518 20.044 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 2.187 0.757 0.462 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 6.219 4.949 5.318 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 -0.781 2.429 0.085 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 -2.924 -2.470 -2.316 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 1.267 -12.448 27.010 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 4.236 2.053 13.891 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 7.227 4.927 -0.818 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 -2.911 10.663 -11.194 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 -5.376 -9.622 -20.053 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 -4.975 4.402 -1.055 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 -11.140 -8.323 14.881 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 6.714 21.419 3.157 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 -2.733 -1.491 -1.355 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 -8.721 16.619 -5.512 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 1.563 14.680 2.317 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 -1.719 -1.897 3.455 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 -15.225 -4.690 -8.452 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 -12.283 -0.268 -7.262 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 -4.135 1.694 6.964 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 -10.317 3.058 -3.755 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 -5.296 -6.143 15.001 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 0.779 -3.431 -4.597 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 -7.555 -1.114 -1.839 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 -1.035 2.333 17.560 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 -0.801 -1.497 -7.313 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 0.438 5.803 3.317 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 15.432 -12.464 -8.052 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 3.490 -3.159 3.173 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 0.353 -8.608 4.445 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 4.141 -3.677 3.568 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 -6.730 1.118 1.469 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 -16.165 -23.789 28.316 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 32.315 -8.262 -3.328 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 -9.008 -1.787 -4.216 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 -3.316 1.284 -10.702 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 -12.239 7.301 0.993 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 1.651 -6.446 -0.977 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 -8.506 2.640 0.841 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 0.530 -12.347 -20.144 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 -1.261 -1.207 1.297 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 -2.566 -5.766 3.955 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 2.227 -9.505 -4.717 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 -3.795 -2.338 -2.380 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 7.327 8.394 -9.550 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 -21.667 -13.374 16.971 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 -4.435 3.405 -2.853 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 6.192 -9.915 -4.627 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 11.605 -16.543 -5.457 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 1.005 3.898 -1.286 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 -9.281 12.859 -16.921 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 -9.956 26.346 12.144 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 2.528 0.781 5.337 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 -7.323 -2.091 15.423 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 -15.945 -6.213 25.059 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 -1.220 -2.055 -1.401 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 -12.046 8.499 -6.976 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 -6.624 -2.442 10.466 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 -1.112 -4.471 1.209 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 -3.908 -5.540 6.356 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 4.770 -1.852 -6.869 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 -1.596 0.579 3.700 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 5.754 12.251 -29.148 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 -1.273 -0.942 11.112 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 -1.827 -2.320 -8.022 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 -12.821 -2.761 -3.673 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 -4.180 12.559 -16.244 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 0.618 3.327 1.959 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 -5.444 5.763 -2.820 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 5.658 -2.848 3.009 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 4.590 -0.395 4.774 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 26.907 8.181 -0.097 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 17.820 2.038 6.171 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 6.721 0.587 1.812 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 1.871 4.687 -9.696 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 -16.062 19.635 1.824 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 1.072 -2.269 -7.384 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 18.333 5.463 -25.099 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 -13.338 21.649 5.864 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 5.947 -0.022 2.087 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 22.386 -5.941 7.002 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 28.828 -6.830 -3.818 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 -3.385 -2.815 3.878 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 -5.099 5.827 2.738 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 -2.055 -19.888 8.448 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 -1.671 -4.578 7.102 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 1.606 -4.719 2.216 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 0.880 19.730 17.750 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 -1.811 -1.937 -2.215 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 13.877 -30.231 -19.726 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 11.342 10.396 -26.021 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 5.243 3.378 3.546 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 14.955 10.524 -3.195 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 1.225 8.506 -3.960 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 -3.609 -4.018 0.295 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 -3.490 -3.318 -0.628 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 -0.147 -5.925 23.306 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 -1.986 -1.998 -6.078 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 3.132 -3.646 -8.556 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 -8.911 0.356 -15.166 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 -4.159 1.317 0.124 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 -15.102 -0.779 27.771 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 1.504 18.901 -2.695 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 2.338 -2.126 1.186 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 -18.361 -6.858 -13.232 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 -10.577 7.242 -5.321 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 3.245 -6.114 3.214 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 8.029 4.926 -6.362 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 12.572 -8.573 8.246 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 0.518 7.211 -1.111 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 -5.866 -1.393 10.369 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 8.634 14.233 -4.690 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 -0.867 2.528 -0.989 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 -0.592 2.135 -12.759 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 -0.582 1.265 11.618 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 3.626 -5.318 6.067 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 -3.002 -6.786 -0.736 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 -29.102 -17.018 -25.375 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 -2.171 -3.573 -2.490 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 25.069 -2.856 0.207 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 8.702 -22.200 2.398 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 -3.823 4.521 -4.794 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 -0.281 3.738 2.680 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 -6.675 7.631 -13.872 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 -0.520 -2.849 -0.380 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 -3.227 9.664 -6.659 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 6.539 30.232 -0.709 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 7.168 -0.152 0.220 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 12.393 -12.411 -5.922 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 8.674 -3.275 -2.120 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 0.403 -3.902 -1.684 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 1.473 -1.434 -3.379 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 -2.981 -0.495 -16.729 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 -2.850 -2.430 5.522 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 -7.134 -4.836 2.839 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 -1.533 0.626 7.620 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 -0.019 -11.131 2.571 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 35.215 16.458 -16.377 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 -19.109 11.969 17.301 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 -4.325 -1.117 0.034 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 -5.569 -8.894 0.785 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 -2.016 27.398 -4.021 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 -2.721 7.773 -1.867 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 10.665 -13.158 -20.879 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 3.597 2.171 -10.931 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 -3.287 0.168 -0.301 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 12.277 7.103 0.423 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 2.634 -17.224 10.029 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 -0.597 -2.584 4.224 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 17.346 10.710 17.734 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 15.231 9.132 16.305 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 -2.510 0.615 4.747 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 20.713 -0.900 -21.485 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 -11.405 7.156 -0.802 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 -3.198 -4.405 -1.502 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 -8.314 -9.786 2.020 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 -8.845 -10.913 -4.300 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 0.171 5.158 1.397 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 -4.552 -2.552 -1.387 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 -1.020 4.044 0.579 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 -1.146 0.645 4.564 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 0.147 -1.010 -0.706 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 10.475 -1.595 -15.484 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 -2.806 4.888 -7.020 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 8.806 1.907 1.173 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 -7.502 11.224 -3.498 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 -1.506 9.830 3.629 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 -4.138 5.519 -4.256 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 -6.701 14.894 6.646 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 4.961 -3.237 1.497 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 -19.067 -0.708 -0.850 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 5.464 9.837 14.984 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 4.048 2.446 2.224 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 28.356 19.907 -0.241 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 -47.594 -21.255 22.601 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 1.123 -3.607 0.281 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 5.527 7.054 -13.539 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 0.934 -8.769 3.194 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 -2.753 -3.626 -5.599 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 -4.982 -4.032 -5.577 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 -4.855 -2.797 -6.128 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 -7.377 -5.413 1.138 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 -10.536 -0.440 -5.536 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 -3.225 -0.631 8.658 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 3.289 3.291 -1.112 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 -5.450 10.880 1.501 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 -2.847 -5.762 -2.521 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 -0.608 -7.533 -5.791 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 -24.207 11.795 11.025 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 20.367 26.474 22.462 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 4.926 -1.225 -2.753 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 -15.967 19.234 -10.191 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 30.629 14.415 0.062 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 -3.086 -2.365 2.330 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 1.014 -0.369 12.614 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 5.368 22.730 3.870 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 -0.119 4.708 6.392 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 0.417 12.726 -19.007 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 -6.817 -10.736 1.017 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 1.746 5.112 1.830 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 4.628 14.645 -0.218 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 -0.036 -1.954 5.320 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 1.980 0.766 3.197 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 -9.170 5.441 19.912 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 11.404 -3.576 -10.992 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 3.250 -0.431 -6.887 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 -3.038 7.932 9.987 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 -4.450 -2.138 -11.051 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 0.816 -2.613 -0.196 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 -14.365 -3.104 0.781 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 2.643 2.666 8.127 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 -0.988 -1.867 -1.122 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 4.964 5.771 -1.594 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 -6.684 2.622 3.726 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 -0.640 -3.104 2.630 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 -9.697 -5.382 2.670 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 -12.310 -7.580 2.317 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 -0.336 -1.098 -5.708 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 -10.982 -7.082 -0.545 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 2.613 -0.903 -3.221 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 -0.310 0.123 1.610 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 13.414 17.449 25.224 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 6.220 -1.003 2.371 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 -3.543 5.278 2.778 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 -26.126 8.033 18.085 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 23.855 5.771 7.273 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 2.188 2.666 -4.894 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 19.372 -10.395 -33.713 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 4.080 3.668 3.533 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 -0.930 1.959 -7.426 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 -4.742 17.056 -13.338 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 -6.820 22.453 -3.488 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 1.779 9.961 2.504 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 12.109 -9.884 -0.325 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 -8.989 34.956 2.175 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 -2.057 -1.288 2.001 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 13.343 -8.761 9.356 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 5.035 2.456 10.160 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 3.559 2.686 0.810 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 8.917 -2.377 -7.633 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 -0.386 11.484 2.512 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 4.914 4.625 1.609 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 -16.329 7.537 -7.806 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 -25.881 5.142 -5.433 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 -5.385 1.623 -4.283 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 -10.456 -3.587 -0.839 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 -9.240 -15.250 7.108 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 -0.944 4.267 1.344 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 -1.465 -3.548 12.242 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 -1.089 -5.451 15.441 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 1.425 -8.616 0.775 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 -12.604 13.350 8.143 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 -11.162 4.008 5.955 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 0.345 2.931 2.920 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 -10.307 -0.401 -8.562 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 -8.684 0.131 -6.821 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 6.643 1.896 2.194 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 2.531 -2.578 -0.597 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 13.944 11.496 6.745 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 -2.330 -4.736 7.087 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 -15.787 11.686 -10.075 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 -7.830 -5.952 14.575 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 0.307 0.914 -8.622 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 -2.462 9.507 -10.451 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 -11.917 27.894 -13.217 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 0.463 -0.788 5.837 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 -3.673 0.377 -3.049 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 5.139 -0.537 4.775 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 2.635 -4.650 -2.571 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 -16.992 -28.004 -22.585 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 -5.666 -15.573 -3.807 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 -4.402 0.097 11.986 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 6.235 17.788 6.162 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 3.798 2.525 15.767 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 9.657 -2.775 1.810 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 6.006 5.113 5.094 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 16.588 -2.969 3.829 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 -0.811 -1.550 5.935 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 -2.406 15.184 13.526 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 8.338 2.602 8.112 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 2.116 8.482 2.233 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 -5.921 36.683 -9.495 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 10.998 -5.915 20.980 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 -2.509 4.896 3.710 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 -5.078 -2.922 5.351 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 -1.589 -3.366 9.184 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 2.468 -0.646 0.899 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 -20.740 1.914 45.877 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 18.196 -17.919 -4.784 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 0.792 -1.285 -7.069 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 -2.300 0.772 -2.530 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 -7.182 -2.682 -14.097 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 2.537 0.777 1.117 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 27.581 -18.300 0.842 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 -14.964 19.176 -4.811 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 -9.461 0.693 -5.858 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 -9.813 -4.727 -5.161 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 -9.690 13.113 -9.883 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 -5.885 -4.869 4.017 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 -21.714 0.025 -4.555 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 0.853 -6.493 5.954 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 1.606 -5.367 3.001 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 -10.368 -21.800 -0.189 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 5.673 -3.464 -12.882 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 -1.941 3.380 5.072 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 6.470 -14.918 0.876 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 -0.750 -6.562 -12.379 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 2.288 -6.687 1.216 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 8.158 -10.381 3.978 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 14.057 -9.392 8.389 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 -1.647 4.056 0.246 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 -2.650 17.917 -2.642 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 -10.336 5.060 29.557 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 4.177 6.089 -3.315 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 -8.648 11.817 -4.246 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 8.611 -29.671 -20.068 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 -3.546 -5.882 -2.643 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 -2.334 -13.127 -10.942 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 -0.167 -10.829 14.938 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 -6.552 -2.197 9.287 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 -14.358 -4.275 5.530 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 -4.816 1.353 -6.755 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 6.403 0.382 -0.171 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 7.784 2.578 2.173 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 14.218 1.917 -4.282 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 1.358 5.663 -6.275 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 11.233 7.539 -10.130 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 9.864 -5.841 -0.902 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 1.206 -7.096 1.158 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 6.876 7.583 6.914 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 7.784 -9.627 7.980 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 -4.941 -5.676 -4.975 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 0.625 18.942 -9.872 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 0.885 -13.393 -17.294 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 -0.212 5.827 -1.547 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 -5.482 14.361 -15.776 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 8.578 7.427 1.588 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 -4.449 -4.014 5.272 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 -1.910 -2.829 15.080 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 -4.813 -6.360 -7.608 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 -0.235 1.680 -3.401 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 5.967 9.143 -9.808 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 -10.171 5.811 -15.363 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 1.708 -0.075 -1.501 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 -18.914 16.050 6.321 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 -10.380 9.140 3.005 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 2.974 -1.570 -6.913 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 2.570 -6.159 6.237 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 -12.341 -26.995 -19.915 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 5.207 -4.180 1.375 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 5.819 -12.549 -18.338 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 -0.561 -28.255 9.878 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 3.583 5.521 -2.751 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 19.580 -17.472 34.941 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 -4.996 7.342 -11.896 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 -3.791 0.073 -1.589 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 -10.146 -13.982 -17.009 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 14.813 14.018 -14.622 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 5.569 0.707 -1.661 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 15.956 1.585 0.129 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 9.241 -16.621 2.585 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 -2.428 2.551 -0.803 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 -19.748 8.920 20.207 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 -8.173 -0.241 -18.575 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 -1.022 4.581 -4.905 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 5.777 -7.068 0.418 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 -4.053 41.434 -1.367 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 -3.881 -3.747 0.450 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 -16.433 21.316 -25.791 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 -15.181 -6.940 -9.775 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 2.504 -9.260 -3.740 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 6.698 -3.868 -5.594 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 -2.827 -10.209 -9.039 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 1.846 -2.092 -5.164 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 -25.656 27.904 15.104 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 -6.314 3.191 -22.835 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 -1.675 -0.375 0.670 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 7.119 -31.161 -9.767 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 -10.980 -16.826 0.380 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 6.640 2.376 -2.982 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 7.362 23.680 5.935 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 1.987 6.884 -11.372 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 -2.100 0.035 1.067 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 5.671 -2.297 -2.294 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 7.054 -1.158 -1.620 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 -1.782 -4.336 3.345 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 30.445 -6.919 -24.309 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 -10.747 -1.385 6.324 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 1.344 1.323 -1.627 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 9.442 11.896 4.535 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 -20.726 -1.014 -14.787 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 3.107 -0.692 -5.856 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 7.508 -10.662 8.315 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 -0.317 9.473 -3.566 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 1.681 -2.057 1.173 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 10.524 -9.821 11.242 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 4.793 -8.782 5.194 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 2.029 -1.166 3.183 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 -3.938 5.087 1.145 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 2.310 -3.279 -0.675 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 -1.512 2.446 -2.956 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 10.470 -16.705 7.867 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 1.310 12.659 -1.997 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 3.755 -1.477 -2.732 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 1.677 3.549 -17.675 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 -18.214 -12.924 10.068 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 0.365 0.391 -1.543 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 -3.233 5.220 -0.922 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 -0.733 2.701 -3.888 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 8.573 -0.513 0.834 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 22.865 -3.474 -6.124 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 9.856 3.495 8.803 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 1.474 -2.298 1.793 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 1.123 -0.625 -9.314 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 -3.018 -23.309 1.085 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 3.134 10.264 9.995 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 11.338 -25.065 -2.806 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 34.067 22.186 17.879 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 1.656 -6.428 -2.040 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 -4.131 9.421 9.811 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 -0.788 0.660 4.054 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 -1.861 -0.111 1.276 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 4.679 -6.552 -9.356 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 7.811 -2.790 -13.767 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 -4.092 3.502 10.432 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 -5.574 7.401 -2.131 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 -4.125 6.368 -0.972 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 0.076 0.664 -3.463 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 -18.858 -34.326 22.058 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 3.799 -12.145 -12.251 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 6.091 -0.107 -7.102 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 -1.487 5.703 -1.210 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 -0.407 -10.716 -8.826 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 -3.938 -6.135 1.511 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 10.253 1.644 5.901 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 4.240 -12.200 12.044 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 -0.703 -2.857 -0.820 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 -6.421 23.875 -7.195 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 10.059 19.886 -0.668 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 1.786 1.459 -2.675 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 -1.977 -12.271 24.523 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 -8.718 -5.028 -11.331 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 3.934 4.023 9.512 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 -3.817 15.091 16.973 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 21.530 1.761 14.258 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 5.484 1.639 3.687 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 0.810 23.212 -1.449 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 -12.113 -10.938 9.105 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 -3.141 -2.886 -6.017 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 -0.612 6.779 -17.904 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 31.888 -30.761 -19.195 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 -0.499 0.780 2.891 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 -6.350 9.565 -7.756 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 4.161 -25.759 15.634 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 -1.178 2.530 4.075 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 22.995 20.740 11.552 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 -29.194 14.977 -10.683 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 -3.694 6.567 4.737 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 -1.580 -7.932 4.356 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 -10.668 17.384 14.778 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 -2.737 1.129 -4.281 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 -9.077 -3.448 1.696 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 2.548 -12.769 -14.604 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 3.791 -1.893 0.274 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 -6.651 20.614 -8.563 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 7.782 -11.077 -11.885 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 6.589 3.673 7.006 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 1.905 11.669 9.122 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 7.841 -2.716 13.487 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 -0.867 -1.913 0.982 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 8.693 16.186 -7.897 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 4.257 8.497 -1.395 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 1.781 -3.044 -6.605 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 -2.718 -7.722 -8.727 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 -5.836 -25.609 20.278 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 4.674 2.122 1.049 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 3.930 2.773 10.564 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 8.217 -4.718 14.071 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 -2.364 -0.180 2.778 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 9.352 24.811 -5.076 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 1.592 5.445 -3.222 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 -2.239 4.352 4.127 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 -0.325 2.669 4.604 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 -18.033 8.976 19.692 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 1.716 1.962 -2.788 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 6.369 2.979 -1.384 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 -18.818 -9.142 -17.774 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 -2.202 -4.892 2.255 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 0.295 1.918 0.399 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 -0.650 8.170 -13.313 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 -3.475 1.977 -3.001 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 -5.620 -3.703 -0.442 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 9.019 20.970 -7.082 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 -2.361 -1.314 -2.127 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 -1.682 5.876 -5.149 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 -18.135 -1.852 5.548 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 1.281 -4.750 -1.715 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 4.720 -1.667 4.310 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 3.003 -8.967 -2.426 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 -5.409 0.629 3.468 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 -0.348 -0.233 3.362 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 -4.633 5.527 2.587 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 -0.612 -6.278 0.458 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 0.532 -1.536 -10.873 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 -9.045 -5.561 14.779 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 -2.922 -6.329 -10.163 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 -3.517 -8.772 -1.804 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 -13.922 5.533 -12.042 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 8.232 4.070 -3.243 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 3.247 -2.138 0.262 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 -0.965 0.023 0.433 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 8.445 -0.518 2.281 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 -8.243 0.687 -19.456 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 7.606 -0.492 0.754 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 -0.298 -0.973 0.738 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 -19.371 -1.980 -6.737 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 -11.732 1.910 -10.098 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 5.463 4.252 -1.014 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 2.234 -10.710 -4.230 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 -1.481 13.521 5.274 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 6.863 -3.619 3.284 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 -2.762 6.364 43.758 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 12.450 6.129 -0.844 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 -0.830 -0.117 -0.580 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 -4.884 -8.623 -8.135 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 4.620 8.305 1.318 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 3.780 5.803 0.959 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 -25.662 -25.596 -14.970 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 -3.863 -8.630 -6.080 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 1.201 -2.242 -3.056 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 -14.066 23.414 -17.514 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 -1.169 -13.079 9.738 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 -0.621 -1.296 -1.790 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 3.858 8.776 5.299 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 -3.230 11.148 -20.030 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 -11.103 -2.736 2.598 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 -9.280 0.199 -13.696 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 -1.786 6.238 11.846 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 -1.534 0.970 -3.055 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 3.955 -8.998 -0.441 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 -22.802 -1.131 7.062 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 4.207 -1.219 4.704 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 -16.237 -3.779 -2.819 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 -4.213 -3.361 -12.505 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 -1.533 -3.273 0.955 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 2.311 -3.444 4.737 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 -10.740 4.653 3.344 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 3.171 3.816 4.103 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 -0.773 -23.245 8.976 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 -7.080 -5.861 -8.575 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 3.522 7.810 -0.321 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 4.239 11.645 -17.945 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 4.664 7.881 -4.599 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 5.711 0.316 -0.361 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 3.836 -1.038 -1.849 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 -24.589 20.970 11.213 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 6.083 1.363 1.976 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 18.971 7.568 -19.686 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 -9.980 8.378 -1.790 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 -1.688 1.140 5.779 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 21.734 3.659 -8.213 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 -36.302 -5.597 33.240 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 0.339 -0.212 3.611 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 15.327 13.748 21.713 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 -0.275 -10.984 -13.404 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 -1.692 2.888 1.625 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 -8.087 -1.652 -2.146 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 -11.070 8.073 -1.500 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 -0.354 -0.549 3.335 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 -6.472 4.319 -0.485 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 -22.216 19.688 -14.047 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 2.009 -0.000 -1.567 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 -14.754 5.124 -17.963 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 10.021 5.641 -1.038 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 -2.997 0.107 -3.764 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 1.155 -5.111 1.853 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 1.173 18.014 -7.100 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 -5.647 1.316 -5.039 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 -8.451 -19.945 -1.965 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 16.166 15.416 -3.728 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 1.168 -4.017 5.005 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 6.448 -0.882 -5.962 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 8.868 21.756 -0.115 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 0.580 0.100 3.671 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 -8.434 -9.039 -0.846 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 12.327 -6.973 12.495 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 -4.308 1.956 7.436 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 -0.271 9.808 9.964 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 17.895 -26.195 35.148 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 -2.011 0.501 -2.284 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 19.045 -2.199 1.277 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 7.343 23.636 18.425 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 8.659 5.041 -4.162 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 18.838 -2.870 6.256 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 -2.765 -4.945 2.385 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 2.133 -1.095 -0.769 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 1.973 0.073 -2.729 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 -2.887 -6.969 11.125 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 -9.342 1.641 -1.134 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 9.247 -6.919 -4.673 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 -4.644 -6.955 -2.719 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 7.480 12.288 -2.792 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 5.571 6.797 7.534 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 -0.607 -11.955 11.626 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 4.205 -1.867 -2.111 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 5.100 6.951 -5.226 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 14.257 9.537 -3.956 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 -5.034 3.002 12.875 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 4.661 10.594 -0.463 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 -4.113 10.940 20.027 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 4.769 8.769 -2.522 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 15.354 22.160 -0.667 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 2.989 13.286 -3.048 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 5.514 -2.300 -0.706 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 5.818 -5.996 7.119 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 4.593 21.139 7.529 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 4.001 -11.116 -0.226 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 1.175 15.834 -9.007 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 -9.866 9.267 -15.270 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 4.384 -3.711 0.226 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 16.874 -5.327 -19.594 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 6.098 -6.641 -0.049 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 -0.061 -2.729 -1.352 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 8.187 -8.069 -6.940 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 -14.016 -6.844 14.572 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 -2.713 6.908 0.560 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 -4.752 13.283 -8.530 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 0.025 12.407 -29.201 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 -2.922 -2.466 -8.851 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 -16.013 -2.158 -4.235 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 -18.034 8.958 13.660 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 -1.174 0.132 -2.141 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 1.664 -30.208 -11.600 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 26.258 32.061 -16.941 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 1.110 0.858 -4.568 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 3.050 -4.128 -2.092 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 8.857 16.016 -12.311 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 1.691 6.079 -3.425 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 10.000 -7.260 5.413 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 22.499 -20.295 10.603 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 1.603 2.980 -1.155 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 6.424 -3.973 -18.857 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 0.311 12.175 -15.880 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 3.654 -2.420 -3.781 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 8.326 14.302 -6.078 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 -24.675 -2.096 4.159 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 -3.452 0.598 -8.793 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 -5.763 2.878 -9.854 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 1.488 2.890 -9.623 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 2.549 5.288 -3.912 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 17.604 -0.060 2.276 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 19.647 25.090 12.535 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 -0.767 -0.092 -4.803 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 0.275 4.262 -0.521 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 -5.061 -4.413 -0.530 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 5.170 6.948 3.491 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 5.765 -9.467 9.272 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 -3.279 16.508 15.029 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 -9.134 -8.949 -2.434 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 -9.929 -10.349 9.363 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 -21.149 -1.556 -4.112 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 4.162 4.727 -1.246 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 -3.717 21.162 9.801 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 16.830 -8.598 19.476 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 2.174 5.613 -2.093 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 6.369 -18.752 1.649 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 -19.278 -13.406 10.414 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 -0.152 4.993 -9.155 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 -20.470 2.655 0.052 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 12.019 13.446 12.297 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 0.110 -1.186 3.507 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 -0.218 -11.658 0.213 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 1.452 31.583 6.137 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 -1.839 2.577 -2.851 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 -24.367 -30.257 -5.457 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 -10.147 -2.162 -2.814 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 2.626 -0.541 -1.070 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 -11.367 3.604 27.720 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 10.543 -10.743 -17.435 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 2.800 -2.964 1.888 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 4.964 -2.955 8.160 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 6.965 -7.546 -0.614 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 -5.455 -6.796 -2.416 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 -20.008 -4.198 -4.190 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 -6.012 3.224 12.025 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 -0.619 -0.334 0.359 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 -6.025 8.948 -1.074 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 21.029 -9.694 -3.503 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 5.868 2.259 -0.450 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 9.765 1.166 -1.758 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 16.764 -3.331 -0.469 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 -0.339 -3.007 -0.832 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 7.003 8.653 2.390 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 -9.053 1.497 -3.810 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 -6.547 -8.966 1.567 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 -12.417 -9.491 -4.548 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 2.485 6.219 9.655 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 -2.766 -0.709 5.104 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 -8.709 -5.244 23.927 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 -4.226 -3.478 13.770 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 -1.284 4.225 7.178 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 -0.467 2.581 12.203 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 -0.600 8.477 1.602 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 3.328 0.905 1.682 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 3.571 3.846 -7.410 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 3.937 -0.804 3.352 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 -4.746 -1.518 3.963 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 -11.261 -8.009 -1.984 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 4.647 -1.506 6.355 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 -5.093 6.569 -2.418 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 4.106 -30.345 21.552 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 0.128 -6.539 10.690 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 -3.206 3.888 0.189 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 -2.189 9.053 -19.756 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 -11.765 -1.699 25.022 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 6.395 2.277 -2.385 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 18.702 -9.499 3.680 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 5.772 1.947 -2.189 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 -1.768 -2.011 -0.615 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 -3.687 -2.872 -2.146 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 16.414 7.099 20.818 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 3.391 -3.102 -0.219 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 21.217 -12.269 3.591 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 17.961 -19.526 -15.663 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 1.146 -10.040 -2.818 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 -10.750 -11.536 6.342 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 15.966 -5.035 -15.935 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 -3.258 3.896 -9.948 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 -8.135 10.338 -10.821 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 -18.358 19.287 -7.489 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 1.294 -0.486 -0.495 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 1.249 -13.318 -4.051 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 1.442 1.149 -0.208 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 1.308 -2.283 2.406 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 -7.284 -4.982 7.203 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 10.162 -12.331 -1.243 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 -1.644 -1.062 -2.745 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 -1.990 -2.551 -1.444 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 8.209 -20.385 6.652 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 1.526 -4.595 4.101 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 10.423 -22.276 24.779 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 -9.464 15.283 -1.449 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 -0.934 0.260 2.080 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 1.435 -4.051 23.938 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 -18.155 2.166 -0.677 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 1.212 1.067 -4.256 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 -4.582 -15.528 -17.252 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 19.277 9.750 1.156 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 2.225 -8.229 5.958 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 -23.301 1.851 -32.341 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 -7.673 -25.750 1.777 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 0.194 -0.350 1.961 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 11.057 -13.522 -10.841 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 4.461 -5.394 21.191 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 0.474 -1.969 3.835 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 1.002 -1.469 8.603 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 -1.355 -0.759 6.939 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 1.315 7.683 -0.056 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 17.247 14.946 2.693 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 -10.866 -16.593 -10.830 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 5.044 4.537 -1.729 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 -11.173 -0.056 -2.256 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 22.458 -30.532 -25.802 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 0.784 -3.373 -8.663 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 10.438 -6.041 -14.478 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 4.358 -15.460 0.763 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 -4.474 4.648 -5.529 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 4.363 -0.179 -24.961 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 -9.645 1.383 -9.622 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 -3.327 1.448 -1.629 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 -6.019 7.767 -5.133 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 -5.920 0.086 -1.096 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 -7.023 7.278 -4.285 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 -36.603 -2.315 13.928 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 -12.977 -3.783 -25.720 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 4.562 -2.586 4.896 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 17.087 11.902 8.921 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 -12.589 -15.417 1.753 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 -1.982 -1.385 -4.451 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 6.010 -30.715 -11.113 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 -21.330 2.505 4.161 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 5.121 -3.723 -1.121 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 6.048 -1.067 -7.900 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 4.395 0.147 10.115 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 3.278 5.527 -10.862 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 -2.356 21.311 -6.810 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 17.322 -7.964 -0.271 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 -3.277 6.783 -6.333 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 12.686 12.899 0.085 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 -4.640 20.513 -13.999 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 3.839 -0.426 0.268 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 -2.085 -6.005 2.931 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 -9.496 4.653 -13.917 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 -6.509 -3.729 2.120 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 -23.624 23.540 -2.472 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 20.485 11.100 18.955 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 -2.420 2.924 -7.624 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 -5.394 -1.131 -8.889 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 -8.431 -5.910 -18.152 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 -0.243 -0.400 -3.234 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 10.475 18.716 31.210 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 5.567 -14.663 13.133 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 -3.492 6.845 1.995 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 -9.869 -2.080 3.086 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 3.114 2.616 -4.810 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 -4.689 -3.997 1.314 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 -15.510 -22.011 4.913 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 -16.181 1.511 6.374 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 5.022 3.384 -3.516 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 6.992 6.787 2.847 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 4.110 -5.729 -1.976 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 -4.920 1.596 -2.630 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 -12.078 -6.226 -14.002 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 14.788 -2.652 -1.116 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 3.171 0.884 -1.224 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 9.619 0.811 0.300 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 -7.747 -3.217 -1.456 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 0.067 -6.641 3.257 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 -1.661 1.687 9.967 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 -1.111 -3.520 -8.391 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 -5.091 1.183 2.065 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 -40.033 1.968 -7.975 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 -14.973 3.397 6.162 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 -1.192 3.358 -4.413 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 8.276 -21.265 8.066 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 -6.393 35.001 -3.420 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 9.230 -4.508 2.350 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 -16.131 -6.769 -5.572 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 1.195 -2.489 -0.183 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 1.310 3.617 -8.915 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 -2.135 11.851 6.020 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 -32.129 18.781 17.071 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 -3.127 1.186 -7.068 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 8.707 4.457 -10.216 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 -29.189 19.576 -0.337 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 0.029 -9.534 -1.187 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 5.303 -12.061 -13.045 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 22.884 -19.458 -0.699 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 -1.393 2.212 3.020 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 14.527 3.085 -9.730 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 8.581 6.098 -19.749 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 2.686 3.550 -5.522 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 -2.545 -20.095 -20.338 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 -5.929 12.839 2.557 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 6.775 -0.995 -1.401 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 -37.485 3.590 -0.689 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 -26.064 13.008 1.682 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 1.953 -7.168 -0.101 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 3.759 -4.349 4.015 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 -1.458 -2.518 -6.775 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 -11.682 3.895 -0.586 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 -13.936 -3.963 -0.883 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 -10.022 10.499 -5.569 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 2.441 0.587 2.226 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 3.217 -21.038 24.017 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 -2.488 -5.301 2.118 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 -4.946 -3.977 -7.971 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 -5.047 3.314 -11.465 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 -12.087 -6.908 -2.998 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 1.538 -3.263 4.943 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 21.727 4.758 -13.016 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 3.655 17.575 -3.770 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 2.519 2.278 -1.200 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 8.627 1.594 -6.796 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 1.779 9.445 -1.854 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 -0.189 -4.076 -1.367 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 19.676 -17.164 13.570 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 5.946 -10.903 8.793 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 -1.763 2.094 -4.393 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 -18.761 -10.724 -5.881 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 -5.981 -10.163 13.769 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 -7.351 3.006 10.726 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 -9.063 24.252 -5.273 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 -8.455 13.175 4.194 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 -1.670 5.769 4.044 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 -7.561 19.653 -0.784 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 -2.007 6.425 3.786 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 0.640 3.103 1.113 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 22.709 13.974 -4.581 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 -18.386 -17.942 17.258 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 -4.244 -1.534 -0.124 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 6.071 -5.913 -7.153 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 -2.033 -13.640 -2.156 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 1.945 1.391 -3.925 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 -3.984 1.842 0.252 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 2.891 -5.420 -4.197 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 7.587 -7.217 -1.674 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 6.198 26.717 -4.180 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 7.955 6.432 -2.496 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 6.865 -4.236 -3.401 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 -2.396 -0.572 -6.168 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 -17.635 1.644 -12.190 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 -1.762 -0.981 -0.885 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 2.949 5.926 -5.643 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 -18.537 -13.606 14.587 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 2.916 -2.109 1.385 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 -0.417 0.893 14.169 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 9.136 -5.221 -12.660 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 -6.165 0.352 5.884 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 -5.817 -2.151 7.738 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 -6.164 1.306 5.699 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 0.638 0.453 5.077 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 -14.723 13.296 -2.485 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 7.841 -8.129 -14.112 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 4.765 1.672 3.624 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 7.659 -4.828 12.418 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 -2.945 -5.300 -9.350 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 7.613 2.345 -0.990 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 7.938 -14.269 9.688 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 9.583 19.891 -5.600 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 2.095 2.103 -1.726 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 3.542 -4.464 -0.727 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 9.145 4.709 2.567 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 -1.212 -0.877 -0.479 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 2.521 -5.905 -1.227 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 -5.504 4.072 15.577 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 2.001 5.457 -4.348 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 -5.022 1.426 -10.209 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 4.408 4.218 -3.761 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 -1.049 0.265 -3.367 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 -6.278 -3.279 -25.886 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 3.828 2.716 13.865 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 1.264 -0.764 -10.134 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 -5.708 -2.430 4.309 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 17.269 18.856 1.930 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 -0.230 5.347 8.600 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 -4.784 -1.946 -2.488 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 -19.941 -0.418 0.147 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 2.661 3.872 4.515 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 11.011 13.314 -1.364 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 -14.408 -7.148 7.236 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 -3.360 1.378 1.443 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 -4.818 -5.843 9.267 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 27.431 8.414 17.977 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 -2.290 -4.475 1.297 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 -9.569 -9.404 2.135 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 -3.596 -5.551 2.277 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 -3.474 -5.630 -0.460 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 -13.662 -16.969 3.740 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 -1.178 0.116 -0.731 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 -0.453 -1.077 -2.386 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 -12.989 -7.230 -14.650 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 -24.740 25.066 -10.723 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 -2.095 -0.524 3.581 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 -19.408 8.104 -3.730 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 -10.944 -1.784 23.593 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 2.917 -2.836 -2.106 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 -4.451 -8.375 12.067 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 4.231 13.699 -37.847 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 1.596 0.692 5.979 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 3.494 -15.907 18.985 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 -11.264 -8.227 -12.232 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 -0.492 0.954 1.961 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 -4.414 -0.223 11.487 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 -1.666 -0.052 5.551 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 1.854 3.448 3.636 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 -5.724 5.573 3.478 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 3.005 -1.481 -1.452 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 -5.470 0.136 -0.866 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 -3.801 3.417 -3.665 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 -2.441 16.774 -4.792 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 -4.285 3.215 3.083 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 5.525 -8.275 3.941 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 -4.935 5.665 -10.653 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 -1.641 -1.890 8.973 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 10.172 -2.221 15.964 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 -1.471 -2.013 -2.866 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 5.274 -1.571 0.299 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 11.434 8.733 -8.682 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 -5.306 -16.566 22.448 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 -1.178 -2.359 2.113 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 -9.798 -5.998 13.693 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 11.516 -18.955 -28.564 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 3.325 1.069 0.710 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 7.709 -4.124 -2.606 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 3.652 -4.441 -3.763 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 9.443 1.748 -4.186 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 12.990 7.048 2.947 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 -7.440 10.214 -10.345 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 1.391 -5.492 0.214 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 13.212 -10.233 -11.950 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 5.095 12.841 2.551 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 2.455 3.620 0.982 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 6.645 2.987 4.004 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 -22.742 0.590 -0.866 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 -6.291 5.225 -6.011 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 -11.599 19.585 2.885 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 14.031 -4.374 11.850 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 -3.609 -0.511 -3.275 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 -0.652 2.104 -7.239 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 1.771 -15.189 11.378 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 5.398 -3.467 7.678 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 -8.702 -0.598 -0.824 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 -14.321 11.809 2.592 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 2.095 5.399 7.794 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 -9.056 1.766 4.163 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 9.992 28.767 7.172 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 0.530 0.606 6.599 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 0.719 -4.286 -11.836 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 -1.325 10.998 28.819 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 0.083 4.959 -1.248 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 -6.048 9.841 16.194 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 -14.809 12.820 6.222 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 5.135 2.556 3.620 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 10.055 3.505 19.796 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 12.391 -6.534 -4.101 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 -1.163 -1.700 -0.176 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 12.594 3.556 11.337 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 -15.571 8.914 8.393 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 -0.054 -2.522 -2.320 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 -5.408 -3.629 3.011 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 3.542 -4.126 -8.119 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 3.670 1.163 2.619 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 5.029 -5.779 -6.148 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 0.192 2.678 7.719 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 -8.781 4.425 -3.556 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 5.094 4.470 -3.017 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 -6.883 9.397 -2.713 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 7.259 -5.019 3.056 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 37.491 -2.666 7.095 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 5.854 -25.267 -18.000 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 0.942 3.023 3.711 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 -17.957 -2.199 11.434 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 -14.422 7.665 -7.165 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 0.124 -4.587 -3.154 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 -10.223 4.279 7.563 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 0.158 -7.455 -14.140 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 -0.972 -1.150 -2.035 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 -7.236 -2.459 0.379 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 -23.588 -7.985 5.333 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 1.726 0.700 -2.631 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 15.513 -4.149 2.925 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 6.152 -0.949 9.435 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 3.378 -5.217 4.652 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 -9.822 19.703 5.185 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 -0.903 0.567 10.803 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 -0.925 8.144 0.633 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 -7.702 -15.942 3.799 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 -16.932 8.071 10.692 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 5.320 -8.901 7.373 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 12.780 -5.965 -3.358 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 42.094 1.069 -4.320 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 0.132 -2.596 -1.094 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 21.702 -1.651 2.808 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 3.912 4.968 1.469 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 -5.127 -1.308 -3.401 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 -7.500 -15.486 6.143 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 20.322 -1.098 2.489 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 -4.718 0.041 -3.895 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 -4.155 4.383 -11.660 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 8.903 7.717 -13.741 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 -1.347 -0.266 -3.052 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 -3.519 1.519 -4.319 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 -19.481 -0.521 -5.783 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 -3.504 -6.527 -6.691 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 -1.219 -8.677 -6.222 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 4.533 -14.406 -15.285 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 3.040 0.427 -0.836 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 -0.909 -7.114 8.943 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 10.651 -12.717 -5.507 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 0.653 -2.567 0.032 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 -1.798 7.987 -18.119 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 -10.943 -9.523 0.878 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 1.896 -5.316 6.814 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 4.717 -4.482 -4.647 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 13.771 -6.911 11.291 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 2.915 -4.114 4.273 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 -6.037 -3.294 18.259 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 -6.507 -5.955 -4.444 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 -7.424 -0.957 2.705 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 -5.692 -8.561 5.270 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 -16.352 -4.636 1.836 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 -3.694 8.866 0.568 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 -6.396 -0.662 -13.846 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 4.523 0.486 13.311 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 -6.596 -0.150 -4.979 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 -5.190 10.905 -13.616 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 22.079 -4.882 13.830 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 5.159 -0.086 -2.339 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 -9.959 -2.420 5.135 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 5.917 15.495 -4.183 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 0.122 -1.789 3.137 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 -12.256 3.239 0.608 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 -7.136 -8.830 -20.812 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 -3.492 3.455 3.817 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 -5.316 -0.790 15.730 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 5.766 -3.659 -9.779 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 0.213 4.387 10.188 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 8.222 -4.307 11.434 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 -5.159 13.679 3.243 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 3.480 8.065 -1.976 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 19.061 -6.271 10.563 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 -10.279 20.398 -8.132 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 -5.593 4.015 1.281 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 8.627 -7.742 25.457 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 -18.674 11.739 -13.149 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 2.199 3.159 -2.090 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 -11.387 14.509 6.615 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 9.408 -1.694 -13.862 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 2.704 -0.062 -4.464 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 -2.860 2.361 -2.960 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 -18.591 10.926 17.645 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 -0.213 1.915 -3.556 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 -2.744 11.003 2.190 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 1.361 -0.376 -4.204 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 -3.700 2.120 -0.042 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 -16.081 -16.811 -9.979 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 -11.120 -8.779 -6.150 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 -1.685 7.014 6.717 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 -1.394 -7.897 18.812 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 7.032 2.646 -1.895 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 -4.004 -1.033 -4.799 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 -20.530 2.847 -3.348 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 2.305 0.524 -12.747 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 -2.596 -2.478 -3.067 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 8.757 -13.410 -7.251 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 -0.136 7.660 -18.255 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 -0.639 -0.262 0.788 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 16.436 5.244 6.518 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 -6.411 -1.962 -0.393 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 -4.760 0.883 -6.454 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 -3.125 5.901 -4.514 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 -7.181 -2.920 -11.129 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 1.935 4.661 0.101 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 -16.960 -6.742 1.884 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 15.266 15.340 5.330 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 -7.782 -2.067 -0.640 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 -19.105 9.005 -17.890 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 -21.085 1.806 -14.925 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 -2.602 0.521 3.355 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 -5.055 -3.834 3.101 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 -2.079 -17.689 8.695 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 2.494 -1.650 3.004 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 23.751 11.072 2.921 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 13.680 5.710 7.238 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 0.048 3.449 -7.394 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 -9.389 7.517 -7.914 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 -1.328 7.871 -3.984 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 -2.899 -5.624 -2.929 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 12.982 8.311 2.299 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 0.069 4.690 3.267 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 -9.387 1.391 -0.614 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 -12.901 18.481 9.438 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 3.929 -21.829 -15.515 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 -0.306 0.441 2.537 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 -28.146 -19.820 -14.442 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 9.052 21.338 -14.677 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 -0.974 0.702 0.461 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 -3.019 -7.722 -0.570 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 9.803 2.107 8.604 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 -1.791 0.003 1.691 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 35.221 -10.849 -21.929 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 -14.309 0.733 4.320 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 1.138 -4.674 -3.909 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 7.203 -10.144 -3.882 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 -24.255 6.069 -0.856 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 2.260 -8.060 0.854 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 25.611 4.404 -7.644 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 9.567 -24.609 17.083 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 -3.693 4.439 -6.438 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 -5.234 7.927 -4.465 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 -2.039 18.704 1.830 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 2.750 -6.478 -7.699 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 5.512 -20.649 -3.929 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 -1.891 16.569 -8.139 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 -5.811 4.753 0.046 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 1.006 -3.604 3.143 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 -2.697 19.943 9.913 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 4.691 -1.459 1.368 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 3.787 28.720 -3.967 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 0.529 1.734 5.133 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 -1.568 2.748 -3.675 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 1.423 3.203 -13.610 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 -2.415 0.997 9.498 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 -1.149 3.352 1.247 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 -7.351 -2.913 4.497 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 14.865 -0.573 4.186 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 -2.363 3.734 6.383 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 9.480 -5.302 26.652 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 -5.573 -18.866 -11.238 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 1.895 -4.680 -5.567 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 23.738 3.374 -6.503 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 3.597 -4.351 -7.590 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 2.259 3.251 -3.626 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 8.834 9.365 -2.596 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 21.304 -1.730 -1.027 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 4.935 1.717 7.717 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 9.551 -22.574 7.718 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 22.730 14.377 -39.664 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 -2.130 1.411 0.896 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 -12.578 0.691 2.009 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 5.337 7.852 28.614 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 1.472 -1.943 2.588 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 12.039 4.271 4.675 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 13.282 0.636 5.685 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 -2.177 2.111 -2.642 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 0.142 1.249 -9.501 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 -4.089 4.167 6.890 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 4.704 -3.459 2.942 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 13.984 1.525 -4.368 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 10.815 11.389 10.974 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 4.447 1.985 -8.042 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 14.225 9.357 -1.197 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 6.043 -11.553 -24.331 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 2.339 -3.567 -5.539 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 -6.402 -0.043 45.312 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 1.067 -2.510 7.349 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 4.208 -0.301 3.895 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 9.508 -15.106 -1.119 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 6.819 5.659 18.273 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 3.734 3.610 4.926 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 4.476 5.786 5.847 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 0.766 1.074 10.577 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 -14.350 -6.821 2.565 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 25.609 -2.549 -1.761 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 -4.699 -18.233 9.492 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 -0.862 -5.182 1.056 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 7.052 -5.049 -6.516 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 3.959 1.773 4.849 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 2.782 -0.961 -2.946 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 -2.936 -0.652 -4.749 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 7.427 -10.060 8.697 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 -5.059 -0.778 1.931 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 0.771 -5.913 -1.054 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 -3.888 5.447 -1.077 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 -1.627 -0.883 -6.392 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 3.371 -4.392 -5.670 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 -8.056 -8.653 2.966 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 3.969 0.535 1.462 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 16.283 5.130 -4.228 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 -2.160 10.531 8.150 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 1.207 -0.376 -11.606 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 13.769 2.020 8.908 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 9.897 2.707 8.243 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 -1.457 1.869 3.628 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 -18.001 10.869 -14.959 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 7.987 -0.197 12.551 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 -1.183 0.710 11.039 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 10.898 28.028 -2.512 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 -21.889 -1.605 1.229 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 1.613 -7.693 -4.710 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 -1.312 -2.367 -17.968 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 -9.960 0.598 8.797 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 5.228 -1.116 4.523 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 3.708 6.242 1.544 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 14.321 -17.986 19.421 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 -7.340 -3.425 1.967 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 2.859 -5.888 -2.959 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 -2.424 2.208 -19.381 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 -7.714 -0.851 3.203 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 3.070 11.555 -7.398 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 -0.085 -17.743 0.192 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 -5.906 7.578 -4.836 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 0.190 -1.310 2.050 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 0.758 2.254 18.673 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 -7.671 -0.192 -0.083 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 6.492 -12.850 5.798 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 -24.803 -36.888 -21.871 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 -2.261 -7.986 -1.498 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 7.282 -0.758 33.030 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 22.044 -6.029 11.470 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 1.086 1.178 -4.916 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 12.272 -11.735 0.183 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 -3.394 19.254 -11.390 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 -5.051 4.429 -3.678 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 -9.767 19.572 -10.657 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 -0.962 -25.227 21.057 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 2.352 5.595 -1.304 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 4.891 5.577 -6.946 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 0.839 7.906 -1.974 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 3.308 2.263 4.493 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 -4.493 -4.725 35.609 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 13.509 7.734 -20.121 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 -0.960 -3.992 -4.337 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 18.369 -18.102 -11.961 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 -0.486 -11.318 1.297 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 -5.480 1.116 1.596 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 -5.921 10.382 1.316 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 -1.025 9.519 15.088 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 -0.973 4.918 -6.700 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 -7.969 -2.986 10.234 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 0.503 -14.984 -13.847 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 -1.453 1.083 9.857 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 -2.245 -4.982 16.524 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 26.168 -8.613 -3.884 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 -3.470 2.062 1.046 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 -3.292 12.311 -18.541 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 17.341 -1.333 6.158 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 -2.857 7.829 -1.797 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 41.077 0.504 12.206 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 -12.405 11.591 0.949 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 -1.194 -0.392 1.887 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 -6.652 -15.431 2.519 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 -5.644 -21.584 11.497 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 0.572 -2.869 0.503 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 -6.238 -10.618 -8.157 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 21.718 19.927 -15.041 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 0.168 0.391 -2.413 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 13.681 -13.549 -18.914 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 6.291 -0.260 -22.950 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 -1.597 -2.297 2.569 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 25.549 12.001 -1.856 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 24.235 8.092 -0.120 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 3.531 1.751 2.583 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 35.393 7.948 0.901 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 5.875 9.216 13.598 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 3.917 -1.491 1.903 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 7.070 -22.372 -15.301 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 6.826 19.819 -12.131 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 -4.446 2.057 0.772 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 -0.274 10.901 8.741 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 0.436 1.835 -6.648 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 10.068 -5.625 0.202 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 12.794 -3.005 3.228 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 10.443 0.448 11.542 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 1.572 -6.717 2.021 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 11.395 9.979 16.605 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 -6.021 -4.453 6.901 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 1.462 -0.961 -3.240 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 9.652 0.985 -12.521 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 -5.863 -9.658 -8.291 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 2.569 -0.874 -1.202 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 -2.475 -12.079 6.100 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 -4.709 25.501 4.015 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 0.335 0.665 -1.977 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 5.160 -0.876 1.673 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 -17.494 4.746 -5.603 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 -2.928 -6.613 -0.326 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 -4.997 29.340 -4.787 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 10.767 9.593 30.578 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 4.522 0.320 0.121 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 -16.049 3.625 6.143 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 18.978 -7.770 32.034 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 -4.795 -8.643 3.159 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 16.484 7.873 -10.741 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 7.324 -8.017 -12.159 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 0.503 -0.059 -9.719 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 2.200 13.284 -9.445 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 0.711 5.317 -9.779 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 -2.863 0.400 -2.549 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 -4.653 7.081 -6.002 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 -9.552 -1.438 -0.055 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 -2.620 4.623 -4.659 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 -18.692 1.321 11.116 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 -11.871 4.713 7.674 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 -1.311 2.697 -1.803 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 14.697 12.100 0.334 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 8.723 6.522 -1.455 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 4.636 2.464 3.007 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 16.486 11.884 8.510 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 0.534 -1.990 3.403 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 0.312 -0.905 -3.911 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 -11.208 0.102 -13.482 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 -3.432 0.404 -6.888 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 -3.940 3.112 0.950 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 7.300 12.474 2.894 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 14.474 -15.145 -5.793 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 4.464 0.311 -7.694 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 20.737 16.701 -0.801 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 4.114 -15.913 -17.475 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 -3.207 0.251 0.457 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 -0.781 -7.464 5.234 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 4.002 4.395 -0.241 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 2.238 -4.550 -1.491 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 -17.094 3.551 10.267 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 27.566 4.444 6.240 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 6.816 1.712 -0.301 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 35.425 8.961 -22.350 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 -13.061 -2.826 15.151 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 -5.609 -6.073 -1.348 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 -21.415 -34.335 4.220 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 -25.311 3.740 -9.405 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 -0.368 1.203 -2.362 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 -10.612 29.614 0.488 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 13.670 11.611 -24.379 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 2.743 2.278 -3.802 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 -0.326 -3.249 2.504 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 9.866 26.905 -15.955 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 -6.471 2.303 -2.150 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 -0.107 -20.421 -7.812 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 13.241 -8.158 -17.929 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 0.292 4.547 2.805 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 -2.522 7.690 -4.754 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 -11.369 5.094 -16.956 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 -3.392 -1.555 -7.225 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 -8.427 -2.672 -12.574 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 6.777 -8.056 6.061 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 -4.249 -5.733 -0.675 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 -11.500 -9.030 -7.692 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 -1.176 2.766 6.369 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 0.166 0.131 0.380 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 4.271 -10.973 -0.274 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 8.023 14.043 -5.501 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 -6.579 7.505 0.185 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 16.711 8.764 9.776 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 -9.005 31.360 -0.166 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 3.735 4.972 -1.079 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 8.931 -1.419 -10.163 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 -4.003 -4.465 5.219 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 0.992 3.392 0.971 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 9.821 20.129 1.755 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 -0.274 8.286 8.215 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 -1.545 -2.231 -0.660 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 -7.614 -22.195 -4.702 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 -15.905 4.069 12.841 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 8.095 -1.024 -0.759 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 -19.677 18.315 -0.162 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 10.825 -7.110 -12.213 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 -1.426 -2.992 1.586 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 0.639 4.783 -9.449 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 4.846 -6.714 0.823 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 2.254 -1.349 -1.217 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 -7.692 -1.269 -2.699 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 9.777 6.326 -2.331 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 -8.583 -0.338 -7.099 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 4.427 -17.669 13.801 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 -13.774 -21.126 5.959 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 -10.992 -1.474 -0.937 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 -33.330 8.634 -25.275 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 2.889 -8.104 17.872 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 -0.752 1.433 2.756 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 -1.736 32.251 12.117 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 -25.957 -1.826 -14.396 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 -0.458 6.742 -1.885 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 -14.184 -11.058 1.999 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 21.089 3.074 -2.205 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 8.223 2.547 2.552 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 6.419 7.490 -12.301 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 -10.223 4.458 -22.697 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 2.353 -0.717 4.996 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 1.222 -0.175 9.871 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 9.773 8.075 19.377 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 2.714 -5.156 -1.964 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 8.311 11.664 -6.476 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 -9.947 0.136 10.325 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 2.082 -3.319 7.893 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 6.134 -7.483 4.403 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 -13.372 3.420 21.149 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 3.622 -0.657 0.236 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 15.686 -5.067 10.077 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 3.078 -6.322 5.126 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 1.754 -0.406 9.930 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 7.493 -8.335 21.788 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 17.898 1.544 -2.823 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 5.364 0.209 -2.468 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 5.272 8.224 -16.555 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 17.472 -14.877 -6.487 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 4.052 2.864 2.358 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 23.604 6.219 -12.348 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 11.034 3.557 -3.047 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 -1.811 -3.750 2.552 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 6.740 -5.150 17.571 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 -0.706 9.023 11.041 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 3.807 5.373 -3.438 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 -15.781 4.414 7.792 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 13.206 30.128 -5.724 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 -1.960 5.064 -4.597 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 22.331 -3.931 -9.338 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 0.296 1.144 -12.448 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 -8.334 -0.565 4.494 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 -20.717 13.632 22.757 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 -9.951 4.236 36.084 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 3.017 -1.626 3.032 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 -18.315 4.197 22.346 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 -12.999 -1.432 16.746 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 -3.488 -2.825 1.922 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 9.432 7.345 -1.394 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 2.246 -4.270 -7.763 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 -1.801 -3.001 -4.202 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 -12.097 4.165 -8.293 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 7.133 10.320 -21.437 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 3.783 2.196 0.642 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 1.926 -11.671 -1.204 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 9.800 -8.015 19.387 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 -0.021 -7.972 -0.710 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 -0.049 -11.038 -1.728 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 4.290 20.957 4.932 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 -3.535 4.427 -5.321 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 7.505 -24.301 -3.559 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 -3.474 -8.143 7.729 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 1.411 -0.595 3.022 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 22.499 26.408 -11.484 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 3.467 12.307 -14.674 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 -3.965 -0.171 -1.133 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 -4.831 6.312 -15.438 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 -7.269 4.489 8.567 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 1.411 -2.932 3.350 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 -9.968 -5.231 -7.718 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 6.840 -1.426 6.363 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 -1.351 1.549 -0.173 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 3.979 15.054 6.253 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 1.234 3.296 -15.828 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 -3.658 0.147 2.099 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 -14.044 15.974 6.432 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 -16.372 9.730 -0.036 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 -4.767 -0.336 -0.971 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 -11.122 0.049 -1.405 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 6.871 -0.752 0.366 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 -6.268 -2.781 9.746 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 0.622 -6.394 16.567 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 3.843 -17.282 -10.912 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 -3.687 -1.205 4.073 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 -7.912 -23.962 7.426 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 1.804 2.437 -14.910 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 -1.840 3.120 -2.433 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 -0.936 -7.984 10.376 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 -21.898 -5.953 13.590 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 -0.738 8.634 -2.546 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 3.685 3.472 11.341 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 0.092 18.502 5.963 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 -2.805 -3.873 -0.325 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 11.317 -8.827 2.579 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 -10.975 19.744 -8.773 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 3.176 1.049 -0.588 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 -8.356 -11.540 -13.355 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 10.100 -10.428 -25.622 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 -0.704 3.662 -3.118 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 -4.455 2.030 -3.477 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 6.184 1.557 6.009 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 1.294 -3.892 1.044 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 1.742 -9.022 -1.653 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 -5.443 7.471 5.255 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 -3.461 -1.827 -0.103 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 -0.597 -4.528 8.638 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 -9.294 5.953 1.839 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 -4.551 3.527 -1.527 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 -20.724 2.482 -9.619 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 -4.634 19.874 2.882 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 -9.008 2.492 4.504 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 -8.225 -11.807 7.015 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 -9.151 -1.951 5.246 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 -1.328 6.086 -0.720 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 19.002 -15.632 -13.623 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 4.187 -18.926 29.975 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 -2.527 -0.173 5.652 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 21.544 -5.599 5.788 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 -17.345 -3.594 18.552 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 6.392 3.853 3.319 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 -28.211 43.159 0.848 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 10.404 -13.774 -7.496 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 -2.744 0.198 -1.479 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 -19.466 0.345 5.786 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 -4.433 0.664 6.955 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 0.834 3.833 8.761 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 4.316 1.601 4.468 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 -0.727 8.446 5.888 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 -3.752 3.803 -2.169 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 6.934 -14.594 4.500 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 -23.578 34.271 -20.331 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 2.367 5.998 -1.556 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 12.672 13.880 4.078 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 5.975 6.695 -0.483 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 -6.554 -7.359 3.873 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 -6.208 -16.355 11.087 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 30.645 -15.990 -1.043 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 -2.029 -3.456 4.775 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 -1.199 13.659 -0.469 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 -16.094 6.817 -7.059 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 3.120 -7.223 -10.372 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 12.637 -26.878 -26.267 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 -16.914 -17.510 -18.198 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 2.955 -0.016 2.453 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 -10.180 -0.802 -16.697 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 17.160 -18.061 20.182 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 -9.337 -2.819 -3.221 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 -6.059 9.401 9.188 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 -0.844 0.674 -6.629 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 -5.660 -0.131 -2.214 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 -12.104 2.794 3.658 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 4.363 -8.262 3.620 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 -4.919 -1.582 -3.304 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 -12.248 -8.776 25.999 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 9.322 14.581 14.077 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 -1.844 -5.154 -4.840 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 14.670 -16.660 3.153 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 3.116 16.034 4.003 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 -11.678 5.025 6.023 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 -19.936 -12.896 -20.571 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 13.513 27.758 -3.787 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 6.491 -6.686 -3.895 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 27.140 17.057 -2.408 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 5.789 -9.141 1.794 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 -10.019 -0.432 -3.537 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 -15.958 -18.358 9.355 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 -9.925 -0.906 -4.422 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 3.485 2.144 -3.731 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 -7.541 8.751 -9.767 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 -2.495 -1.465 -5.665 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 0.881 5.219 -4.759 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 19.146 -7.489 -12.551 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 21.519 -8.905 -13.865 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 -0.211 3.464 4.730 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 15.483 -8.413 -23.973 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 8.341 -2.300 -3.083 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 -2.224 1.407 -2.799 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 -4.966 5.492 0.866 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 4.221 0.239 -2.571 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 -3.921 -0.584 4.076 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 -9.434 21.226 -2.860 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 -4.853 0.302 3.386 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 -6.171 -3.226 -1.909 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 5.969 8.161 -6.574 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 -10.329 -3.700 0.570 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 -5.266 -0.883 -3.165 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 -9.068 12.990 -22.604 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 2.592 -11.499 7.890 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 -10.910 5.978 -7.506 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 -3.595 7.175 -0.731 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 -15.478 5.583 -12.780 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 1.081 3.075 0.976 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 -22.607 19.779 8.969 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 -8.237 -14.511 16.053 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 2.661 -7.625 2.032 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 10.624 -19.710 -14.855 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 9.071 25.825 5.658 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 -5.528 -3.000 -2.828 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 1.363 6.474 -6.627 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 -7.492 1.894 -16.739 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 3.943 -1.526 5.634 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 14.260 -30.434 -4.960 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 -20.156 4.151 3.574 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 -2.265 3.010 -6.289 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 -15.062 -19.744 -12.501 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 6.438 1.530 20.632 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 -8.281 -6.197 0.450 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 -12.639 3.573 -24.235 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 -8.195 -19.546 5.358 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 -1.322 -5.077 8.525 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 -0.874 -9.172 8.079 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 9.726 -15.999 13.857 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 -1.865 2.130 2.842 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 -9.890 -4.497 -26.000 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 -5.294 -11.272 -9.009 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 -3.337 -1.563 0.742 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 -6.964 9.698 3.627 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 -8.838 11.273 11.924 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 -1.261 -5.401 -6.882 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 -7.818 -7.542 8.292 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 7.777 3.146 -11.112 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 2.814 -2.138 -4.442 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 6.632 -6.503 1.867 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 -3.957 2.571 2.168 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 -1.684 -3.209 4.026 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 8.929 -18.587 -3.483 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 -15.712 19.694 5.887 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 -4.580 -0.499 -4.031 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 -8.520 -3.394 -8.705 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 -11.817 -8.780 -6.942 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 -3.547 -2.940 -1.176 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 -7.988 14.330 -6.984 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 14.668 2.952 -5.789 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 3.041 -0.926 10.917 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 16.179 -0.783 15.829 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 15.518 16.913 -4.811 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 6.943 -1.676 -7.430 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 27.156 -0.354 15.134 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 1.839 11.096 -31.044 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 2.023 -0.524 -2.534 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 4.699 19.462 -2.652 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 -12.500 11.901 -13.761 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 0.456 -0.143 4.312 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 1.853 6.912 3.245 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 -2.030 -4.421 2.572 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 -3.195 -0.933 -4.043 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 5.481 -1.974 -0.418 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 -8.490 0.151 -5.517 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 -2.249 -3.449 -0.987 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 -22.950 5.919 -1.265 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 -38.542 -3.176 6.853 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 -2.704 2.521 5.015 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 -11.479 14.552 20.290 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 -19.789 14.540 8.588 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 -5.592 0.436 -2.407 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 -7.951 5.122 -11.581 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 -14.562 -5.777 1.171 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 9.600 -2.958 2.141 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 -9.021 17.914 11.860 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 34.491 -2.757 13.025 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 4.845 2.469 5.690 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 13.856 -3.977 12.339 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 3.290 -1.450 -10.282 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 -1.657 -4.200 -0.404 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 -33.353 17.828 -17.175 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 9.184 -15.131 6.134 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 -5.274 2.407 0.848 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 -5.451 -5.125 -1.804 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 -17.068 10.470 1.383 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 0.731 0.062 1.158 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 -1.090 1.936 -5.611 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 -0.636 7.714 -7.539 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 -0.217 -4.753 3.835 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 6.269 24.880 -3.625 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 0.698 1.023 2.445 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 -4.017 -8.266 3.069 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 -2.509 -0.200 3.225 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 12.217 -12.978 8.080 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 4.173 2.787 4.312 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 -1.421 2.222 -18.340 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 1.100 -12.492 24.716 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 -2.760 1.259 -0.641 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 -3.201 16.883 1.237 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 -4.060 -4.687 -8.501 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 2.520 0.502 -4.296 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 11.782 3.865 2.713 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 21.666 6.902 11.243 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 -4.299 -1.864 3.418 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 -5.433 29.025 1.831 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 -11.970 13.298 7.225 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 3.452 -2.044 4.331 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 21.337 2.314 35.705 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 23.488 25.428 -12.982 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 -2.913 0.384 2.566 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 -17.070 8.114 -19.820 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 21.024 3.500 9.867 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 4.884 3.330 1.579 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 7.652 2.087 -0.910 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 -18.794 19.728 10.791 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 1.745 0.121 -6.432 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 2.776 7.653 17.046 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 -0.828 3.652 25.234 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 3.120 7.847 5.158 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 -25.239 -5.645 -2.668 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 7.217 9.912 7.230 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 -1.056 1.613 -4.903 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 -3.574 11.799 9.422 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 -18.543 -5.522 -8.327 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 -4.079 1.685 -7.463 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 12.976 -11.695 3.891 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 6.690 6.459 5.539 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 0.191 -1.823 -4.317 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 9.875 -12.329 7.018 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 -1.867 -3.651 -0.525 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 2.111 -2.428 -1.576 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 -17.075 8.134 -1.005 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 2.114 14.755 3.127 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 2.443 3.681 3.847 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 -15.012 -7.879 0.295 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 14.525 9.247 -16.020 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 2.333 -8.802 -1.555 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 9.356 3.669 -9.275 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 5.217 3.456 3.854 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 14.555 -3.147 -4.477 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 8.690 13.752 -12.901 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 -3.501 35.098 -7.995 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 -1.974 -9.251 3.330 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 -9.429 -2.023 -2.177 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 30.758 -14.866 -2.216 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 -0.203 2.336 8.320 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 -2.994 17.539 8.812 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 13.540 -1.533 -25.777 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 -3.634 -6.327 7.477 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 1.728 -9.852 -1.136 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 6.241 -19.001 -18.667 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 2.165 1.780 2.106 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 7.743 -17.175 -16.523 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 -7.034 11.518 -12.349 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 -3.298 -2.268 3.724 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 19.642 7.114 11.490 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 -6.135 -7.637 4.480 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 -1.649 1.238 -0.237 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 -17.241 16.706 2.441 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 -10.978 9.200 4.606 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 1.585 5.280 4.660 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 -4.665 22.854 32.993 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 -7.097 11.187 6.391 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 -0.247 6.895 -6.212 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 -5.069 8.252 -8.971 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 5.353 16.941 -0.852 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 1.607 -0.167 7.258 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 2.025 -8.640 4.747 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 12.674 2.167 2.189 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 3.744 4.870 2.859 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 -0.133 14.741 -13.455 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 -4.196 -8.194 6.175 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 -1.636 1.108 3.579 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 7.378 16.025 -8.823 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 26.440 16.855 -3.171 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 -0.418 5.791 -2.476 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 -7.755 20.560 -14.894 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 -11.290 13.736 -28.468 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 3.506 2.989 -2.429 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 -6.332 7.767 5.177 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 13.568 21.751 -5.280 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 4.939 -4.233 -2.550 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 1.654 6.914 -7.717 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 12.812 7.101 0.672 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 4.731 0.795 -8.025 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 8.581 5.376 3.033 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 17.312 7.279 -14.223 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 7.239 0.563 -0.463 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 -4.762 -1.470 7.191 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 0.269 -5.785 -4.947 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 -3.321 -4.452 2.547 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 -4.004 -16.024 17.436 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 -6.958 9.934 4.416 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 -7.443 0.681 3.594 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 1.077 -6.461 8.389 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 -5.105 9.768 -12.638 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 3.860 -2.446 7.941 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 -0.535 -7.815 2.268 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 8.473 -0.868 10.783 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 -4.944 -5.053 -1.633 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 0.640 3.179 0.061 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 -9.212 -8.155 -3.673 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 1.395 -3.020 -1.132 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 4.225 -7.345 -9.924 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 -8.615 -0.695 -6.765 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 7.658 -7.366 1.623 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 -7.080 0.092 3.475 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 15.943 -9.420 11.120 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 -0.346 1.980 1.059 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 -10.101 -5.061 8.391 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 -11.100 14.345 5.612 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 0.831 0.540 -1.430 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 14.710 -7.255 24.396 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 -9.130 7.962 -7.674 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 0.144 -0.117 -4.999 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 1.893 -20.028 2.308 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 19.475 10.420 -15.741 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 4.551 -10.117 3.624 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 -11.103 -3.031 -0.365 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 -3.716 -4.435 1.461 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 0.422 -1.170 2.326 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 22.698 -20.222 -13.927 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 20.340 -10.765 -14.883 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 3.174 0.958 1.502 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 3.059 -4.195 16.435 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 0.096 -9.354 2.220 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 7.138 2.618 4.930 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 13.238 -7.308 16.134 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 1.395 -5.509 -4.598 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 0.807 1.007 -3.362 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 -0.756 -1.794 2.175 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 -10.215 -16.689 1.616 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 0.335 -1.771 -0.087 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 -0.433 -4.184 4.081 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 0.536 -1.366 -1.502 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 2.446 7.250 -1.608 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 -2.238 9.550 -0.389 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 1.752 4.704 -4.039 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 0.124 -1.794 -5.841 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 -10.988 0.936 -16.805 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 6.146 -3.337 9.192 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 -4.394 3.726 -1.764 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 -5.349 -13.144 1.828 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 -7.624 -24.113 4.810 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 4.317 -5.312 -4.468 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 24.348 -1.800 -5.029 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 -12.701 -18.905 -1.701 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 -6.029 -4.791 4.882 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 -7.783 -5.407 7.722 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 1.577 -10.032 -1.363 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 8.325 8.108 1.489 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 -1.440 -8.494 -17.709 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 -7.716 -8.566 9.838 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 -6.820 -0.370 -1.664 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 -17.064 4.153 18.543 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 12.828 -7.579 -37.400 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 -0.322 -0.762 -2.134 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 6.307 20.903 4.388 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 -33.329 -26.410 11.393 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 8.088 -0.179 5.471 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 4.846 -9.385 16.262 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 -14.088 -13.682 -9.666 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 6.168 -7.909 -3.160 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 -1.325 -1.571 -3.345 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 25.591 -18.988 -14.955 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 -4.707 -0.899 3.841 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 3.251 -0.475 13.523 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 1.291 45.109 17.205 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 -3.635 0.868 1.153 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 -24.589 4.904 8.380 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 3.845 3.210 -8.952 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 -4.106 -4.513 5.888 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 -1.677 16.594 5.025 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 -7.705 -21.104 7.222 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 -2.397 1.810 3.389 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 -2.479 10.118 7.805 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 -16.490 9.747 1.625 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 1.356 -5.121 2.003 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 7.221 -6.430 -1.266 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 5.884 2.910 0.449 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 -1.257 -6.864 -0.840 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 -16.028 -20.480 13.936 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 -12.371 6.217 -3.692 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 1.132 0.086 -1.878 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 -3.120 -9.570 9.034 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 5.431 -22.531 22.244 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 5.871 -1.598 7.010 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 -0.599 14.057 -2.518 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 6.202 -3.204 4.543 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 -4.371 -8.079 -2.226 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 -11.355 7.122 0.574 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 0.258 2.593 -2.270 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 0.808 -3.363 -0.845 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 8.137 -4.880 -8.205 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 -8.127 14.994 9.942 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 -7.319 -0.560 2.689 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 -17.255 -2.481 -0.791 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 -9.238 0.313 1.249 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 -4.158 -1.444 -1.242 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 3.253 -2.434 -4.443 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 -1.024 5.326 -13.043 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 7.224 0.471 1.252 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 -13.580 -0.496 -1.982 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 3.470 -10.636 10.329 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 -0.497 2.673 -2.755 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 0.368 4.701 -11.718 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 27.094 3.694 14.852 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 2.310 -4.379 2.070 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 16.461 3.290 9.610 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 -3.268 14.736 8.044 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 2.749 3.996 1.707 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 6.144 2.439 -17.208 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 13.387 18.907 5.121 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 0.633 5.491 2.707 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 0.370 3.045 3.560 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 0.074 -1.554 8.603 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 -7.661 -4.599 -0.572 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 -24.412 -2.631 1.126 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 5.551 27.459 7.502 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 -10.601 0.239 2.843 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 -12.938 18.215 2.795 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 -15.821 25.016 2.345 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 -8.625 2.442 2.289 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 -23.000 19.377 0.858 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 17.087 -10.538 4.469 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 0.105 2.510 7.569 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 16.480 -2.482 2.450 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 7.070 3.010 -7.572 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 -1.689 -0.265 0.931 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 13.116 13.153 -0.321 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 -21.732 -10.823 17.309 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 1.049 -6.709 -7.377 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 6.676 -8.308 -13.655 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 14.460 1.459 -3.489 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 3.647 4.560 0.188 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 -10.510 4.471 -5.183 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 17.654 -3.304 -2.925 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 3.319 1.439 0.459 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 8.540 -13.190 16.602 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 -0.038 11.477 -4.083 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 4.002 4.574 -2.196 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 -4.261 1.655 -5.851 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 -15.737 -7.721 14.132 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 -1.990 -2.579 -3.658 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 12.325 -3.607 -14.350 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 6.736 -3.990 -12.286 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 -4.671 1.677 4.202 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 18.219 13.603 11.907 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 0.295 -16.472 28.307 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 4.231 -2.593 -2.605 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 17.764 10.478 11.991 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 -6.716 23.003 -8.955 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 2.374 3.158 1.943 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 4.037 21.446 5.358 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 11.390 -29.896 2.572 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 0.483 0.119 0.673 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 -16.653 16.293 4.071 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 -1.277 -15.134 -12.213 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 1.599 -3.466 -2.122 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 10.078 -2.813 -0.962 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 -14.253 9.640 0.057 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 -4.390 3.510 8.123 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 -6.967 -0.132 -1.671 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 -1.450 -2.708 32.027 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 1.655 2.682 -1.774 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 -5.273 2.520 20.898 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 -15.188 3.779 -5.018 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 1.037 2.469 1.316 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 9.757 -30.936 13.133 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 8.413 17.630 0.454 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 11.601 -7.002 -5.315 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 10.674 2.301 1.500 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 7.007 9.741 -0.900 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 -0.615 -0.533 3.929 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 -27.488 -20.554 -2.673 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 -2.927 -19.656 -4.096 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 -6.670 -1.339 -2.516 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 -21.082 3.391 -17.177 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 -12.279 -13.996 16.620 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 1.792 -3.004 1.014 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 9.109 -6.005 -2.210 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 20.496 14.425 8.411 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 -1.865 -8.352 2.040 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 9.238 11.049 -5.651 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 -14.838 -13.308 -4.223 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 0.451 -9.513 1.590 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 -11.482 -20.637 3.488 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 -4.241 3.617 12.799 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 -2.779 -0.768 -2.070 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 -13.211 12.283 -9.436 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 8.153 0.777 5.411 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 -4.410 8.384 -1.876 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 -4.973 9.952 -3.662 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 -9.256 -21.872 19.485 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 -4.378 -1.609 1.096 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 -9.206 -2.191 5.434 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 -13.665 5.860 10.862 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 2.276 7.184 9.409 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 -13.045 -5.415 16.304 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 25.986 2.801 -10.333 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 15.186 0.603 4.022 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 -5.285 -12.777 7.854 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 7.243 7.715 6.992 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 3.997 -0.862 4.656 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 20.358 -0.335 19.233 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 -4.598 -1.484 1.930 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 2.949 -0.328 8.991 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 -4.830 -16.869 20.193 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 4.266 -6.507 -9.972 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 0.569 4.542 3.808 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 5.085 19.745 7.527 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 -8.627 -15.747 -20.569 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 -7.203 1.951 -3.288 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 -7.402 -15.993 -1.089 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 1.251 19.198 -13.556 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 2.919 0.430 2.655 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 -5.309 -4.884 19.180 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 -2.770 -6.235 17.271 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 1.450 -4.556 -6.786 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 15.037 -16.258 -28.356 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 -11.580 -18.485 1.819 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 -4.551 -7.279 -3.166 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 -14.206 11.258 22.035 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 -0.996 -18.503 -45.103 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 -5.347 8.436 4.241 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 -3.015 0.871 2.033 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 -1.110 -3.112 -2.112 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 -0.348 -2.151 0.428 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 5.188 14.289 13.882 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 -15.482 5.750 -13.402 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 -8.335 2.364 -1.922 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 -10.583 -7.359 13.236 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 -2.240 2.382 -6.945 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 -0.723 4.082 7.675 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 -4.079 20.136 -13.518 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 -5.148 -34.139 6.708 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 2.286 2.064 2.584 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 -25.563 -17.734 32.767 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 8.021 -28.324 -30.697 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 -10.028 2.567 -6.114 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 4.826 -3.664 8.304 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 6.569 4.818 13.538 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 -2.916 -3.585 1.482 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 -3.462 -4.870 13.143 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 13.617 18.593 12.719 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 3.491 -3.235 -0.723 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 7.805 -13.416 18.650 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 -14.696 0.357 -5.094 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 2.440 1.010 3.379 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 5.095 -9.924 -11.036 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 -5.574 25.075 -30.718 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 -2.566 0.727 -0.867 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 -18.598 11.075 7.227 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 -0.328 -11.686 -8.006 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 4.671 -2.402 5.424 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 3.399 -15.910 2.306 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 2.270 16.042 -11.856 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 10.220 -7.336 1.493 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 9.138 -9.290 6.736 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 7.487 -14.862 14.774 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 -2.000 2.531 0.841 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 10.416 13.138 4.049 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 26.505 5.303 0.836 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 1.509 4.553 -4.351 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 -10.218 -3.368 -7.904 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 -0.983 1.627 -6.986 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 8.196 -5.083 -1.515 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 -19.719 -11.277 -3.624 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 -18.875 -11.424 -3.285 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 5.634 -0.164 4.793 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 -8.208 -3.271 7.914 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 6.778 -7.452 18.931 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 0.699 -10.667 5.306 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 1.778 12.939 -0.889 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 -9.500 -15.645 3.643 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 2.057 6.969 0.985 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 21.589 5.973 2.795 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 4.178 6.699 1.400 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 5.770 -1.414 -0.184 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 2.371 -4.775 20.692 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 5.458 -2.296 -6.088 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 7.941 10.369 1.989 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 -6.309 30.788 -21.480 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 7.464 -12.912 22.931 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 2.061 -5.131 -12.534 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 2.534 -6.394 5.833 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 16.966 13.399 -7.204 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 -4.528 -1.915 -1.327 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 10.584 17.268 -13.037 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 2.937 4.435 -8.720 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 6.619 4.824 -3.505 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 -22.799 -13.568 -15.738 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 -6.420 1.390 1.264 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 7.471 0.541 0.154 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 -16.640 -7.223 -0.202 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 -2.036 -5.963 -2.142 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 -12.304 -9.224 2.835 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 -12.835 6.147 -9.041 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 16.807 -5.632 -3.142 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 -0.505 3.810 7.809 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 -2.413 8.328 23.028 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 15.075 15.303 2.426 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 8.338 -5.698 2.053 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 1.614 -3.224 0.373 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 11.333 -8.929 9.355 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 -4.200 4.890 -0.078 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 14.812 -4.724 0.658 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 12.057 21.439 20.179 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 4.257 -0.865 -4.089 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 6.041 13.957 12.889 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 -2.407 8.005 17.918 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 -2.219 0.583 -4.493 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 13.948 -2.148 3.649 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 7.092 -2.601 -0.830 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 5.431 -1.892 -1.729 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 22.052 -27.791 18.040 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 -28.220 -3.568 8.743 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 -4.096 4.430 -1.987 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 -3.795 -2.644 0.805 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 3.399 -13.132 12.837 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 -2.060 -1.828 -5.337 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 -5.710 -6.736 8.930 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 9.547 8.851 -2.197 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 -6.167 1.710 -8.452 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 0.715 2.231 -4.550 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 -5.305 -0.160 -6.769 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 -2.266 7.011 -1.501 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 8.722 14.188 -16.190 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 -12.040 0.187 34.662 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 1.192 -0.666 6.894 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 -1.040 -7.207 4.417 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 -4.059 -18.487 -21.872 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 -0.285 4.560 -6.154 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 4.647 6.349 -8.647 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 -6.612 -18.827 1.923 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 11.437 0.361 -3.565 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 29.897 6.651 8.985 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 -12.452 23.338 3.489 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 -2.165 -0.392 -0.617 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 -8.000 -4.119 -8.214 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 -8.371 20.232 11.351 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 -9.335 -1.077 -3.480 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 -11.288 -0.842 -5.012 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 -11.110 -0.174 -6.463 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 0.864 5.635 -1.461 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 2.130 4.410 -1.264 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 3.024 3.841 -0.776 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 1.570 6.778 9.441 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 -4.588 14.999 -7.214 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 -24.482 20.633 17.245 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 -1.385 -6.806 2.605 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 4.447 1.084 -13.085 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 -2.725 3.761 14.924 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 -1.978 5.603 -3.762 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 2.180 -19.199 -18.552 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 -3.060 -8.498 -13.137 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 -1.974 3.049 -2.882 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 -7.733 1.144 -9.823 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 -3.135 -2.206 -0.286 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 -0.160 -0.938 2.983 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 2.687 -0.500 3.855 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 2.368 -2.266 -0.084 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 1.256 -7.328 -2.569 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 6.188 14.517 8.021 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 -0.252 -11.030 -4.408 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 -11.636 -4.312 5.396 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 -5.536 22.822 -10.313 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 -16.147 2.107 3.276 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 0.524 0.412 -1.007 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 -10.122 19.231 22.758 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 32.635 2.939 -9.143 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 3.528 -4.729 3.244 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 13.295 9.314 11.570 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 7.034 10.105 0.346 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 0.666 3.660 1.100 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 20.371 3.303 19.167 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 0.495 -18.899 -12.485 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 -10.679 0.181 4.903 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 -19.296 18.126 18.571 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 18.411 6.514 -0.746 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 3.287 -4.991 -5.141 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 2.111 37.692 -13.332 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 5.267 -10.953 7.604 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 -7.042 3.788 -4.093 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 -8.479 10.125 3.690 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 -0.644 11.502 -6.893 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 0.007 2.660 -2.378 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 0.428 14.905 -2.374 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 -23.360 6.002 4.916 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 0.572 2.935 3.695 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 0.900 14.728 4.354 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 4.471 5.127 -0.934 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 6.979 -0.933 -2.321 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 -11.893 9.908 -16.866 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 -6.490 -3.879 -9.633 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 -4.947 3.963 -6.942 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 -0.168 6.043 -13.622 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 -15.616 12.616 1.168 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 -3.693 2.785 -4.845 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 -3.463 3.778 -1.324 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 -10.349 15.359 7.257 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 2.612 -3.740 -3.274 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 -0.102 -18.706 -5.706 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 -0.123 1.537 -12.984 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 -5.983 4.104 -1.930 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 -10.609 23.619 -9.294 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 -8.254 -33.208 7.821 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 -3.182 -1.477 5.471 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 -15.351 -27.967 -21.512 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 -2.016 4.158 15.016 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 -3.263 -0.075 3.096 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 -11.533 13.678 7.238 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 -2.446 -10.267 5.305 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 -1.538 4.552 -6.118 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 4.781 0.715 -6.187 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 -12.535 -0.561 -4.496 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 1.422 -4.273 10.439 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 0.117 -4.584 11.435 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 3.884 2.651 -0.108 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 -0.646 0.304 2.468 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 1.040 -8.208 2.949 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 -2.803 -1.125 -7.463 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 0.275 -2.367 0.626 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 25.349 18.454 -1.701 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 -5.855 -14.332 -26.962 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 -2.682 -2.815 -2.764 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 13.038 -1.319 9.218 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 -8.860 12.279 -19.034 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 1.855 -1.428 2.395 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 8.140 16.591 10.372 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 19.139 -9.406 -11.430 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 0.728 -4.250 -6.635 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 -1.758 -9.753 -2.570 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 4.433 1.832 -8.556 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 1.889 -1.868 -0.399 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 2.258 -3.665 -12.064 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 -1.787 -0.527 5.545 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 1.949 -2.809 -6.068 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 -16.541 -10.335 -3.388 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 6.272 19.956 8.252 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 0.620 2.253 -0.138 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 -5.777 4.643 -2.263 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 1.834 2.328 -1.435 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 -1.219 1.525 2.261 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 -36.274 6.594 15.328 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 7.507 13.060 -13.111 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 -6.854 -2.824 -1.663 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 -25.695 -6.439 4.570 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 -5.219 -15.430 -14.096 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 -0.836 -0.040 9.231 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 6.397 4.731 5.628 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 -9.944 0.208 -6.962 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 -6.472 0.016 1.831 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 -9.875 -8.359 8.996 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 5.314 -3.874 -7.833 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 2.781 4.407 1.628 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 4.128 10.289 1.825 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 2.400 2.700 0.919 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 -9.204 -8.279 6.813 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 -6.382 -8.072 9.763 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 -20.543 8.838 7.047 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 -1.087 0.050 8.683 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 20.459 -8.961 5.300 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 14.444 3.322 18.206 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 -2.730 -5.552 1.875 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 13.852 7.561 -1.042 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 10.592 5.234 -10.430 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 5.699 6.802 2.360 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 11.031 7.069 7.818 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 -9.504 -9.935 -4.188 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 0.299 3.995 6.168 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 7.110 2.502 10.452 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 -0.403 -5.370 9.427 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 2.827 -1.008 0.470 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 -8.223 -10.880 -19.453 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 38.444 5.826 4.334 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 4.298 2.239 0.716 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 0.502 18.631 -18.150 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 15.538 8.910 7.056 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 2.379 -0.753 1.563 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 -0.907 2.338 2.853 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 13.256 2.171 -9.552 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 -2.709 2.279 -0.417 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 19.835 -12.501 -27.516 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 -7.642 10.529 3.912 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 -4.077 -0.795 5.156 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 -6.782 -4.934 -11.897 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 -0.638 -2.265 20.193 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 -0.838 -2.120 -1.540 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 16.977 -16.202 16.967 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 10.708 -14.675 16.260 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 3.150 2.273 -3.522 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 18.647 6.236 -1.469 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 -25.995 24.829 5.511 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 -1.573 -1.093 -0.033 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 -36.263 -11.622 30.216 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 1.780 0.037 -5.161 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 -8.028 -3.738 -3.448 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 -26.273 -1.690 20.024 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 -10.467 6.566 -14.555 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 3.609 -2.675 -3.159 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 15.817 -0.079 2.596 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 4.865 -7.231 3.518 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 -2.821 3.460 -1.657 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 -7.302 -4.458 -14.474 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 -20.942 -5.783 -20.402 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 2.353 -7.282 8.424 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 -5.690 -8.534 -22.136 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 14.860 -6.407 -28.865 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 0.415 -0.323 3.468 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 1.860 7.174 11.918 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 -9.621 9.314 13.330 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 -4.435 -2.513 7.055 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 -8.867 2.485 -3.221 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 -11.217 -0.955 8.501 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 1.855 7.009 -0.822 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 5.202 5.329 -18.424 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 5.961 -13.990 5.409 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 2.419 -1.251 0.505 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 4.115 -18.896 51.097 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 1.025 28.570 -22.373 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 -2.590 -2.298 2.569 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 -11.266 -9.141 -7.038 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 -22.898 -2.705 10.039 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 -4.614 -3.678 3.058 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 1.645 -8.038 3.475 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 -3.196 -0.074 10.430 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 0.574 7.873 0.722 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 -35.178 -26.373 -8.816 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 -3.329 27.757 -2.876 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 2.689 2.028 -4.584 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 -20.315 -21.270 -9.803 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 -14.376 -3.940 -4.093 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 -1.005 5.788 0.975 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 -3.557 -5.372 -2.291 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 5.718 3.811 11.002 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 3.121 -1.424 1.830 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 29.405 27.819 19.412 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 23.485 9.538 3.769 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 -0.270 2.512 2.169 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 -16.102 3.079 -39.083 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 2.859 1.635 17.162 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 -3.372 -2.437 -2.365 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 1.903 -16.452 -11.154 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 -22.618 0.486 -7.867 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 -1.053 1.124 3.923 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 -4.796 11.050 -10.322 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 -14.098 -11.004 10.339 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 -1.111 3.704 6.382 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 -4.883 -36.558 8.022 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 -24.519 20.284 1.500 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 14.154 -1.671 0.780 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 -3.097 0.241 -4.266 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 -22.351 -2.492 -2.320 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 6.088 -2.730 -1.712 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 -6.155 -24.768 -2.549 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 3.567 -6.251 1.229 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 3.212 0.089 -2.248 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 -8.217 23.807 1.236 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 -18.685 1.679 -7.810 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 6.373 6.697 9.587 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 -14.232 -0.290 -17.922 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 -24.340 -8.063 -5.970 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 -7.403 1.288 -0.830 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 -0.294 2.956 3.778 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 5.417 7.378 16.373 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 3.100 1.636 1.140 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 1.024 -3.015 -2.887 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 0.622 9.487 3.985 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 -1.271 -6.544 0.952 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 -5.520 -5.985 5.115 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 10.211 1.826 8.579 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 -2.608 4.674 -4.651 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 -4.741 2.190 -13.419 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 4.919 19.629 20.049 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 -0.844 -4.962 -4.470 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 -11.167 -4.157 -1.252 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 -19.340 -7.901 -1.388 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 3.047 -1.469 0.752 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 -1.173 -12.409 7.282 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 -0.913 -2.860 -12.711 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 1.222 -3.742 -5.836 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 13.304 -4.101 -6.188 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 3.556 -9.347 -5.264 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 4.557 -1.325 -3.666 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 14.557 -1.578 3.575 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 2.350 -5.986 17.587 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 1.585 1.828 0.182 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 2.751 16.818 10.706 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 6.999 15.588 14.396 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 2.654 -3.791 0.614 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 15.840 3.300 6.313 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 10.319 -1.312 6.560 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 -3.173 -8.692 4.962 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 -1.206 -7.431 -11.472 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 14.091 16.189 9.459 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 1.355 -2.263 -2.733 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 1.241 1.456 9.790 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 -6.621 -31.338 -8.599 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 0.612 -1.595 -3.576 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 13.990 -4.030 2.677 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 -5.826 -14.921 -5.791 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 -5.723 -5.284 4.513 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 -5.336 -5.480 4.978 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 22.772 -7.939 -1.117 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 1.775 -2.981 -0.182 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 17.575 -1.100 -6.062 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 -5.119 -3.988 -10.376 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 -4.459 -4.374 -1.603 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 -6.633 -2.626 -10.359 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 -4.504 -5.452 -0.173 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 2.407 3.113 6.772 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 1.586 -21.485 2.085 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 0.066 1.191 14.424 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 3.943 2.107 8.951 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 8.382 -28.167 16.399 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 -8.601 21.889 -7.283 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 -1.666 0.237 -4.523 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 -1.698 -8.096 33.918 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 0.665 -3.733 18.727 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 -1.380 -0.212 2.916 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 -6.088 -26.300 28.682 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 13.660 6.449 -11.780 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 -1.825 -1.125 -7.361 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 16.965 -1.287 11.255 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 10.015 -3.106 1.375 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 -1.138 -5.818 6.260 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 -3.638 11.805 9.142 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 24.344 -10.148 8.768 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 0.147 0.632 -2.192 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 -10.000 -17.883 -14.076 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 2.614 8.044 5.853 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 -2.196 -1.914 5.876 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 -17.032 6.702 -20.341 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 14.368 23.518 12.720 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 -1.306 -2.656 4.664 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 -20.128 -5.106 2.271 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 -0.435 -19.242 -20.186 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 -1.557 -5.403 -4.121 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 -7.501 -4.357 -12.447 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 1.765 -4.536 8.210 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 -1.295 1.660 -3.133 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 -8.438 -1.454 -8.673 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 32.098 4.942 -5.155 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 -4.411 2.625 3.840 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 -6.893 7.364 0.505 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 -8.941 -3.015 24.059 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 -8.441 -2.735 -0.152 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 -19.492 -5.466 -5.135 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 -12.872 4.738 0.761 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 1.858 9.852 -4.352 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 -7.304 7.696 -1.488 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 -6.479 7.864 2.130 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 -4.691 -1.586 -0.302 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 4.918 3.720 -18.462 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 8.820 -17.285 6.198 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 -5.959 1.412 -3.546 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 1.093 -0.052 -7.213 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 4.167 0.847 -9.959 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 -0.533 -2.809 9.833 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 -0.979 3.856 -29.113 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 -7.534 -6.097 8.948 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 5.009 4.012 -0.522 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 4.250 -11.333 6.777 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 17.524 5.197 -8.326 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 -0.740 -1.459 2.553 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 -37.996 -1.576 -8.661 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 15.407 -0.032 6.107 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 7.162 0.650 1.953 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 8.969 23.986 -1.046 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 -12.299 -8.897 -24.904 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 -1.416 -2.765 7.632 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 22.915 -31.527 -4.845 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 8.326 -16.759 -5.325 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 -3.371 0.886 3.568 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 -0.011 -7.564 19.127 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 9.945 -5.037 -9.315 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 1.152 3.386 1.430 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 -1.212 -4.829 -0.317 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 -8.690 -7.089 0.071 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 -0.920 4.701 -3.262 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 -17.871 15.394 11.780 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 -6.301 0.473 -8.938 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 4.390 -3.705 -0.560 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 3.626 -4.183 2.993 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 7.617 -4.444 -3.421 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 0.358 2.155 5.192 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 -10.954 -5.518 -0.538 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 9.160 -8.524 0.402 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 -0.490 5.359 -7.418 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 -12.788 -1.415 6.273 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 21.085 4.138 -21.744 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 -2.980 -1.785 -5.735 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 14.084 23.462 -13.631 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 -16.450 4.501 -9.647 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 -4.610 -7.744 5.861 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 -24.875 25.157 1.412 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 -17.175 -3.641 -0.336 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 1.107 -9.650 -5.252 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 -1.759 -15.408 7.057 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 0.490 -6.615 1.314 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 -7.542 -0.964 -0.111 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 -32.834 16.747 2.527 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 -10.109 -7.273 -20.562 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 -5.658 1.806 -3.304 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 -10.178 -9.410 -8.685 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 -6.602 9.699 -0.291 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 -2.185 -5.100 -0.180 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 0.840 -10.536 5.110 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 -0.270 -7.219 0.749 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 2.190 5.680 1.602 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 11.229 1.766 -8.826 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 8.553 5.132 -7.987 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 -9.374 6.867 -0.692 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 -0.310 24.969 11.351 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 -17.252 -12.598 -5.115 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 -0.602 0.569 -1.901 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 12.544 0.173 -5.099 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 11.994 21.060 -8.472 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 2.131 6.920 4.248 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 -3.190 -1.937 -1.169 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 9.979 18.898 18.716 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 -3.700 -0.131 -3.320 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 6.304 7.826 12.325 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 10.963 -4.950 -15.940 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 -5.286 -4.033 -5.408 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 4.429 -22.103 -5.083 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 19.826 -12.124 -10.165 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 2.420 1.671 2.322 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 3.345 6.394 -12.958 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 9.621 2.842 1.808 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 -4.664 2.779 2.299 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 12.320 34.073 -13.226 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 5.096 -6.429 -20.383 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 -8.390 -4.064 -0.632 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 -6.212 -21.388 5.825 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 -14.736 -4.080 -21.993 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 1.253 -4.830 -1.310 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 -0.424 -8.282 -7.264 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 -2.562 1.064 -6.951 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 -10.625 -4.926 0.781 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 -17.697 0.204 12.140 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 -26.980 -21.981 0.731 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 -6.079 -0.986 -1.466 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 4.061 7.783 11.965 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 -4.290 0.601 -0.537 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 0.861 0.651 -6.456 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 -16.283 -7.252 -7.956 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 -3.853 -25.463 14.479 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 -2.222 -3.440 -6.369 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 -2.074 -10.451 0.742 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 -12.283 5.852 2.330 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 -6.618 -5.700 5.996 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 -3.462 2.799 0.058 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 -7.849 -7.749 12.292 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 -11.356 -3.846 -2.721 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 -10.760 13.580 3.380 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 -6.319 3.197 -1.712 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 3.416 -1.914 -0.851 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 9.930 3.516 10.669 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 -14.877 -5.263 20.961 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 -4.345 4.808 1.674 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 -9.435 21.921 -19.036 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 -2.290 -1.249 22.294 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 0.560 8.722 -3.490 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 -4.786 22.464 -11.034 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 -11.885 10.712 -5.315 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 -2.823 -1.875 -8.983 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 -35.842 14.442 1.125 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 -23.662 7.831 -8.272 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 -2.702 1.741 1.786 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 8.893 -2.938 -5.105 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 9.610 -9.258 -3.849 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 6.801 -4.209 -0.067 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 -10.666 -12.774 -9.167 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 29.315 15.391 22.798 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 3.421 4.410 -3.171 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 11.873 -13.975 -7.602 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 16.956 0.204 12.025 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 -1.932 4.745 0.595 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 -6.078 4.968 1.790 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 -0.669 7.337 3.950 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 -1.750 -0.696 -2.798 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 -15.531 -0.283 19.387 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 -18.515 -10.348 -14.939 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 -5.018 9.424 -0.085 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 -5.459 2.411 0.134 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 8.391 9.543 -9.313 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 2.242 -0.556 0.647 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 11.888 1.586 0.419 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 -11.449 16.276 3.621 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 -1.234 -3.269 -1.757 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 5.151 5.778 -7.528 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 -0.836 -7.665 9.661 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 -3.969 -3.057 0.273 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 -0.344 0.796 -1.455 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 -1.782 -2.420 -0.098 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 -4.112 -2.035 3.824 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 -19.803 -14.352 1.966 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 -12.722 16.572 -3.852 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 1.874 4.938 0.260 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 16.060 -9.299 15.409 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 20.016 -5.374 14.132 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 4.750 0.065 -5.157 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 26.466 -3.003 -24.707 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 7.738 -5.778 7.941 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 -8.543 -2.835 2.941 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 -11.784 4.762 4.652 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 6.060 -13.655 -5.609 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 2.002 1.256 2.646 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 -14.717 -12.109 21.784 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 -7.402 -4.309 7.211 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 -3.026 -1.138 -1.634 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 -4.675 1.559 -1.679 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 -10.341 9.864 -2.296 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 -4.963 1.593 4.985 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 5.678 5.366 12.463 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 -5.799 2.997 7.741 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 3.581 3.617 7.385 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 24.036 14.777 40.548 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 6.647 4.473 -25.148 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 9.900 -4.011 4.075 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 -12.818 -1.578 -11.536 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 7.957 -12.790 3.674 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 -4.260 -5.729 -1.691 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 -0.938 -2.012 6.363 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 4.767 -1.092 14.073 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 7.558 -3.228 10.057 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 5.190 -12.645 12.700 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 -14.514 -8.052 13.742 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 -6.514 1.859 -5.039 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 -17.733 -0.343 -6.179 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 9.641 18.601 5.222 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 5.393 -7.428 -0.497 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 21.749 -12.861 -5.784 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 -15.279 13.859 22.274 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 -2.576 1.824 -4.165 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 13.587 12.435 -7.397 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 -2.758 -5.978 -7.520 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 -0.163 0.416 0.140 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 -2.159 -3.236 -11.186 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 4.796 10.972 0.534 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 -3.375 2.332 -2.468 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 5.317 7.286 -4.091 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 -24.825 -7.106 -7.731 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 -0.103 -2.816 3.785 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 -12.182 9.883 -10.022 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 -1.030 -15.566 -13.744 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 -1.160 4.237 -0.258 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 0.935 2.290 -3.943 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 2.842 6.322 0.692 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 3.947 -4.567 -0.456 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 -11.101 -21.273 11.256 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 28.656 1.361 8.879 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 -0.632 -3.773 -7.038 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 14.917 2.382 -2.328 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 7.139 -5.323 -11.554 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 -2.236 0.168 4.257 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 26.551 2.311 -14.436 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 17.478 1.193 -21.509 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 -6.475 0.577 -2.732 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 -3.476 24.722 17.629 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 -7.122 8.273 -0.494 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 -4.052 -2.624 -2.293 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 -8.891 -7.681 0.627 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 -13.562 0.476 -9.211 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 -0.783 -7.749 4.351 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 -33.159 4.047 5.859 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 13.123 -6.942 6.008 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 -8.689 5.239 4.241 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 6.132 -18.728 -5.763 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 10.753 -26.218 -8.597 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 4.567 5.547 3.225 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 -11.633 -15.110 -6.259 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 -23.685 -12.265 -11.870 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 0.778 -8.889 -8.725 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 3.598 -8.275 -9.605 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 12.760 -14.238 16.899 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 2.537 -4.200 -1.074 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 18.313 6.343 -3.695 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 -13.552 10.038 1.584 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 3.342 0.394 3.977 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 6.479 3.315 -5.387 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 1.677 -5.827 13.499 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 3.795 1.310 6.460 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 -15.929 -23.101 -12.759 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 14.735 2.372 9.567 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 -0.315 -1.784 -2.547 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 12.219 2.146 -11.360 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 -16.408 -1.026 21.390 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 -1.590 -5.448 1.735 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 9.560 -8.002 9.989 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 4.304 4.736 -8.928 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 2.652 -0.460 -8.118 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 -4.085 32.892 -16.377 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 14.299 -17.598 8.499 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 -2.207 -1.696 8.933 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 1.839 9.355 24.989 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 -15.076 8.125 9.005 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 -3.524 -5.083 2.713 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 -32.793 0.279 11.459 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 9.889 -28.614 19.801 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 3.861 -2.303 -5.752 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 7.987 5.181 -4.615 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 3.523 -12.261 13.545 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 -3.159 6.709 6.098 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 -19.204 -22.048 -11.747 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 9.520 -14.360 4.344 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 -0.364 -6.288 4.930 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 27.472 -7.440 8.157 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 -13.437 -6.968 3.783 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 1.825 0.797 -4.898 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 -0.558 -1.658 3.325 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 -2.388 2.106 -15.634 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 3.558 5.353 -3.578 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 -1.037 14.800 8.383 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 -3.512 9.639 -16.045 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 -1.697 -0.071 -0.378 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 11.692 -7.028 -11.303 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 -14.446 2.633 9.022 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 -2.389 -7.884 -4.016 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 -4.185 0.715 2.751 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 -1.663 -26.818 -10.018 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 -3.271 0.580 -4.229 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 6.191 -1.208 -5.565 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 13.397 -13.049 -8.209 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 6.342 1.291 -2.055 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 -4.944 7.175 2.143 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 -8.992 0.767 -5.158 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 0.810 -7.409 -12.021 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 10.245 -24.141 -23.551 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 -4.802 10.764 -12.715 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 -3.886 3.350 -3.130 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 -5.942 0.821 6.360 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 -5.630 2.636 0.514 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 -1.855 -0.506 3.609 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 10.197 -22.993 26.466 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 -0.427 7.511 -7.503 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 3.546 -4.158 5.242 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 -0.983 -2.081 8.896 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 17.035 -21.606 0.130 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 -4.145 5.262 -0.520 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 -5.559 -0.890 -4.669 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 -5.238 3.406 6.764 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 9.321 3.489 4.040 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 27.525 -16.151 24.578 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 0.744 -2.481 -0.921 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 0.824 5.146 2.502 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 -1.037 3.046 -0.867 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 12.614 -9.126 -7.873 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 4.747 3.457 -0.299 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 3.721 5.903 -0.445 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 -5.423 17.681 0.635 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 -4.084 -0.666 3.709 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 11.896 -6.340 -10.418 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 17.136 -0.594 -12.617 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 -2.860 1.404 1.968 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 -2.393 -11.047 -33.918 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 -3.307 -6.973 -11.162 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 -9.079 -2.049 5.134 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 -7.729 18.988 3.924 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 -9.933 -15.915 4.088 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 -0.486 -1.367 7.983 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 5.502 -14.405 -3.098 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 14.569 -40.651 -11.259 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 4.343 -7.881 -1.390 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 -1.236 13.711 34.606 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 -2.130 -2.708 -7.475 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 8.739 -2.032 2.358 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 -10.508 12.523 1.593 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 12.148 -2.964 -2.476 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 2.312 1.948 -3.119 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 -8.127 -14.491 7.022 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 21.957 -4.746 12.131 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 2.869 -3.377 0.747 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 7.065 -18.701 -30.622 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 -24.221 17.533 -1.104 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 -0.522 5.644 2.647 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 8.512 17.304 17.387 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 20.085 3.125 -13.875 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 -0.187 1.958 -2.254 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 -0.186 4.486 -6.286 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 8.151 5.053 5.270 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 1.199 -1.415 -6.342 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 -28.555 35.638 2.106 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 -5.691 13.715 -8.993 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 5.369 -1.380 -3.317 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 -10.143 43.328 -2.810 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 -4.398 19.083 2.646 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 2.262 0.442 -5.958 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 9.329 1.431 -17.410 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 -7.837 -12.811 -20.512 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 -1.322 -5.906 -2.291 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 14.721 -5.467 3.851 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 -7.739 7.630 1.284 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 -2.717 -0.485 -2.941 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 8.267 0.161 5.045 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 -8.955 -5.582 -7.263 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 -2.010 3.163 -3.620 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 9.102 8.469 3.829 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 -12.034 1.553 6.993 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 2.264 1.507 -4.708 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 17.179 -17.551 31.614 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 2.261 9.733 -12.307 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 1.245 8.888 -2.883 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 0.490 10.420 0.699 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 1.134 8.508 -3.247 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 4.084 4.598 3.580 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 3.874 5.649 -3.721 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 16.497 -3.385 22.256 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 3.787 -5.737 3.699 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 1.794 2.373 -13.079 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 -3.175 -0.757 -8.726 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 -1.734 -0.499 -1.119 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 -0.392 -2.834 -1.398 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 -2.699 -1.161 7.635 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 -6.201 5.681 3.083 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 -11.585 -3.038 4.789 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 -11.814 -4.160 5.330 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 3.393 2.412 -3.398 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 -1.184 5.388 -0.412 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 -1.075 6.869 -2.310 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 8.611 0.234 4.803 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 15.785 4.619 -19.224 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 9.607 -0.461 4.518 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 -6.990 3.972 2.353 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 2.184 -3.228 -9.245 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 10.480 16.870 -0.880 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 -3.559 3.667 4.017 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 2.188 -1.779 2.899 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 3.214 4.310 3.532 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 -7.690 0.324 -0.828 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 -2.658 -5.465 -1.003 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 -9.289 -0.385 -2.700 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 6.923 -0.440 8.191 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 14.349 -14.889 3.564 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 8.199 -1.737 -4.770 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 -0.265 -1.351 -3.970 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 -10.796 -1.653 8.461 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 7.977 -23.359 0.444 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 -2.405 5.135 -6.810 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 -10.062 -11.776 -8.209 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 11.102 11.228 -4.156 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 -1.395 4.242 1.823 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 7.746 5.032 4.562 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 -4.505 -5.930 2.905 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 -7.869 -3.242 -1.197 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 -6.379 -22.449 13.120 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 -16.514 -3.654 3.068 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 0.374 -2.464 0.585 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 -5.560 -22.570 -0.256 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 15.547 18.273 -4.690 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 4.993 -1.093 -1.001 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 11.921 -5.606 -9.840 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 7.904 -5.882 -19.303 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 3.074 3.969 1.045 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 -11.341 3.346 8.996 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 -0.549 -1.874 -6.770 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 -1.326 1.361 -3.185 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 11.081 1.496 -4.057 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 -7.469 3.153 1.029 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 1.411 4.645 -1.591 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 7.339 7.933 -9.223 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 -2.415 2.024 -13.721 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 -1.736 6.941 -1.315 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 -27.079 -21.596 10.558 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 -17.145 -13.753 -13.226 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 8.293 1.646 -0.956 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 3.083 3.258 5.090 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 3.642 -18.166 -6.558 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 -0.349 0.860 4.000 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 8.809 8.147 -8.058 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 -16.814 11.568 28.876 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 -4.976 1.042 1.551 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 -4.404 -15.636 -30.295 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 -6.881 16.227 19.682 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 -4.230 2.734 0.685 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 -11.970 17.613 2.991 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 7.897 4.945 29.218 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 -1.055 -1.285 -2.686 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 5.752 26.167 -6.602 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 13.412 -0.387 -11.096 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 5.674 0.008 -1.618 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 -13.795 16.590 -7.553 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 -9.422 -22.932 4.088 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 -0.382 -2.369 -0.565 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 31.205 -28.528 -14.524 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 -4.753 3.439 11.927 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 0.445 2.499 1.398 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 -13.170 11.161 25.378 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 2.588 -5.320 -18.076 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 -3.747 -6.326 -3.321 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 -7.092 3.605 -4.683 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 0.321 -0.876 -3.926 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 -1.847 9.935 0.595 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 -18.561 5.505 7.981 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 -16.822 11.169 1.646 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 -5.956 3.673 -4.301 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 -30.064 3.381 -34.211 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 -1.754 4.175 -15.817 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 -9.201 -0.973 0.331 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 -1.639 11.753 -0.025 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 -14.190 8.812 9.546 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 -4.638 -8.341 -2.476 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 -20.179 -22.356 -7.813 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 21.128 12.850 6.698 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 -2.241 -7.085 -8.252 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 -2.915 -2.831 -4.355 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 -3.922 -6.318 -5.785 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 -2.105 -6.776 0.299 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 5.431 17.994 -8.497 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 7.770 24.456 -9.720 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 1.132 -0.652 -3.443 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 -6.432 -2.541 -4.906 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 15.298 -6.725 -8.251 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 -0.945 -0.252 -10.512 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 2.718 -2.441 -22.145 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 -20.373 27.220 2.125 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 -7.714 6.476 3.851 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 -14.095 15.578 8.860 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 -1.315 12.131 -2.870 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 -5.568 -2.261 -3.135 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 -3.961 -4.467 -0.868 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 18.365 16.481 -21.982 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 -3.279 -5.212 -1.415 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 14.149 14.929 -0.262 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 4.788 7.223 7.487 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 -6.201 1.417 2.146 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 -15.967 3.790 -13.539 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 -4.073 -7.776 16.732 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 2.477 7.270 1.287 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 13.220 0.616 -11.182 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 -7.319 13.728 18.327 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 6.810 -4.617 2.592 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 -9.653 -4.203 -12.640 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 -20.088 14.678 7.777 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 0.331 1.082 -0.177 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 -7.969 -8.416 6.411 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 -1.171 -3.855 -10.111 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 -0.940 -3.110 1.717 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 -3.149 -10.875 -1.605 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 -4.429 2.288 -3.609 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 2.476 -4.709 4.046 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 11.095 -22.342 1.189 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 -20.749 2.403 3.307 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 2.543 4.202 6.229 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 4.714 6.085 0.198 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 4.888 5.319 9.092 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 -1.359 7.597 5.923 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 -2.470 -6.738 4.321 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 18.670 23.089 -4.760 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 -3.161 -2.226 -8.662 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 6.231 -7.756 -22.529 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 9.320 15.200 0.410 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 -3.333 8.501 3.345 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 -6.616 7.387 2.880 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 -7.157 12.003 0.527 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 -2.325 3.202 -1.316 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 3.529 14.689 -24.614 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 6.382 3.758 3.799 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 -6.868 -5.916 1.965 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 -6.343 11.877 -1.939 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 1.662 -12.812 4.141 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 1.436 2.234 -1.176 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 18.790 10.194 -2.667 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 0.963 4.694 13.883 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 -1.209 -5.739 4.323 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 10.902 -8.477 0.933 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 1.228 -10.029 15.661 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 6.553 -2.166 -5.231 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 14.820 -6.873 -10.717 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 20.563 15.112 -18.612 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 1.830 -7.779 -2.568 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 4.121 -3.038 1.553 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 -3.996 -8.665 -0.752 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 5.540 0.748 -0.729 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 2.274 5.987 6.562 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 -4.328 -4.335 -6.073 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 -3.642 4.907 -3.470 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 -23.343 17.240 -1.268 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 7.233 9.525 14.749 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 2.390 4.089 1.247 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 -5.386 11.187 -4.202 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 11.238 9.205 7.851 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 -9.079 -3.378 -7.393 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 -0.852 -6.422 7.499 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 -2.446 -11.003 0.961 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 -4.830 -10.069 -1.878 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 5.021 -14.144 -12.434 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 3.119 -0.822 1.927 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 -7.960 -2.210 -7.962 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 -27.670 10.553 3.685 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 -5.037 -2.494 -7.679 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 -2.222 4.760 2.167 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 -2.236 2.371 -8.167 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 1.575 13.955 11.632 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 2.972 2.762 -6.219 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 -6.600 -7.714 0.202 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 -6.102 18.987 -13.778 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 0.790 0.944 7.530 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 -9.968 -14.927 -33.521 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 -6.042 -6.281 -14.465 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 -4.156 -3.007 -1.029 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 -8.358 -18.196 10.778 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 -4.474 -8.102 -0.406 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 -1.075 4.567 -1.157 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 -17.287 -17.003 8.015 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 -0.005 8.394 20.477 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 -5.346 1.231 1.809 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 -10.812 1.569 -4.131 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 19.970 12.669 -8.872 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 -1.371 -3.641 1.407 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 0.798 1.724 -13.961 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 -2.306 0.114 1.519 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 -5.432 1.360 -1.649 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 -16.030 -12.929 3.283 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 -16.478 -37.148 -13.605 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 -4.024 -15.084 1.620 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 -9.671 -21.662 7.284 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 3.640 -7.231 -2.351 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 -2.733 0.626 4.772 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 8.819 8.034 -19.106 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 -10.200 -7.362 10.897 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 -3.877 3.141 2.627 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 1.868 17.669 8.584 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 7.750 28.614 16.737 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 4.704 -6.730 -0.478 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 1.487 -40.610 16.412 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 6.323 17.242 -10.109 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 1.615 -10.090 -4.116 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 1.023 -18.665 -28.853 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 -3.340 -12.210 1.164 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 0.560 2.037 -5.326 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 1.928 -3.281 -6.399 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 9.090 -4.195 -16.250 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 -1.386 -7.324 -8.718 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 -22.368 -17.089 -5.206 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 -13.066 -12.258 -7.192 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 -1.343 -4.825 4.429 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 3.025 -5.722 8.651 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 -0.744 -4.222 30.243 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 -2.666 2.863 10.614 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 -20.935 -4.828 4.384 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 19.150 -5.559 0.891 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 -1.972 3.885 -7.430 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 -9.000 -11.482 8.706 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 -24.138 -8.832 -10.008 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 -3.418 4.361 4.048 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 -5.703 3.934 4.753 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 -4.295 6.467 4.275 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 -5.989 -9.619 1.146 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 -20.937 10.452 -12.024 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 -12.409 17.286 16.880 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 0.328 2.147 -3.787 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 0.782 -3.149 -18.282 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 9.433 21.695 16.352 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 -4.017 -7.447 8.055 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 -2.536 -17.841 14.585 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 -3.914 -11.903 -3.216 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 2.539 -1.386 3.171 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 -5.760 3.109 8.452 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 13.615 -14.535 -4.577 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 2.993 -4.273 6.117 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 4.368 13.212 -4.105 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 -18.722 0.831 19.116 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 -2.106 10.293 7.913 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 12.625 -0.397 5.350 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 -12.141 4.991 19.952 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 6.407 6.392 -3.929 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 -7.274 1.395 23.217 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 7.569 8.353 -10.880 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 -4.000 -4.420 -1.386 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 -6.435 -7.446 3.688 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 12.602 3.252 6.362 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 3.400 -1.716 -2.564 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 2.718 8.535 9.805 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 9.530 3.311 -0.344 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 3.087 0.479 -4.172 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 14.350 1.875 -7.886 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 -20.930 5.009 -0.487 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 -1.404 3.780 7.552 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 -26.455 -0.444 21.543 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 -16.363 -3.146 24.358 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 5.099 -0.791 1.341 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 9.491 17.149 21.672 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 -2.361 -7.575 -4.114 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 -2.814 7.855 -5.848 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 -7.579 -10.703 6.595 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 -4.015 5.494 -2.110 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 -3.015 0.672 -3.734 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 -15.874 -6.110 -9.689 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 32.284 9.869 0.571 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 1.847 -7.989 -1.368 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 10.995 -5.385 5.598 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 -4.121 8.208 -2.570 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 2.478 3.278 -1.174 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 18.947 1.838 9.378 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 -4.971 22.642 13.849 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 2.646 -3.706 3.424 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 12.327 18.497 6.124 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 12.655 25.221 -10.684 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 -0.003 1.777 -3.608 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 2.900 -21.702 -9.511 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 -5.369 0.133 10.813 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 0.544 -1.153 4.335 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 5.277 -27.740 -0.465 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 -12.832 -11.771 -6.211 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 -1.640 0.216 4.228 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 -10.335 11.527 0.530 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 27.411 10.596 -22.918 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 -1.088 3.307 -3.333 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 3.137 12.374 -4.178 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 10.049 -7.066 -1.430 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 -4.110 2.545 -2.469 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 5.083 -2.818 -16.321 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 -26.875 -2.548 18.264 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 -3.934 5.244 4.296 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 2.651 -0.841 -6.339 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 -10.821 -4.439 11.201 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 -2.450 -6.376 -5.106 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 -4.670 1.320 -5.269 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 -6.033 18.296 -6.000 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 -5.305 -0.578 1.427 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 -4.893 2.532 5.220 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 -0.890 5.309 -6.900 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 2.666 8.334 -1.808 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 1.276 10.650 -22.592 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 14.115 -4.652 2.993 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 -1.420 -7.123 -1.866 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 15.714 -13.415 -3.452 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 -14.904 8.300 -7.077 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 -1.280 -3.234 -2.546 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 19.629 4.642 -11.222 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 -10.076 5.906 0.568 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 5.142 -3.464 -4.848 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 24.391 -5.386 -5.553 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 -11.290 -17.608 6.123 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 -2.347 -8.058 -5.925 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 0.557 -12.420 -10.568 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 3.198 -9.476 1.292 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 -8.356 -2.503 -1.411 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 4.158 0.309 -5.912 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 -9.255 27.479 11.354 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 7.108 -1.165 -0.471 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 2.917 -20.661 0.820 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 8.296 3.368 -18.599 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 6.361 -4.575 3.041 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 -10.910 -21.563 14.922 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 3.300 6.911 4.618 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 3.705 -9.145 2.005 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 1.036 -0.303 -1.298 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 11.565 -10.514 4.509 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 -1.018 -1.598 0.700 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 0.337 -5.951 4.977 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 2.238 7.369 1.133 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 -1.674 0.090 3.217 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 2.427 10.291 4.692 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 1.177 -5.117 12.353 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 1.773 -4.470 2.823 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 -20.725 10.009 -4.582 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 20.632 -7.413 -22.700 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 -2.457 -2.852 -3.650 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 4.744 -32.829 -10.357 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 0.848 15.764 -8.794 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 -6.750 -3.256 2.278 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 -3.917 30.787 8.636 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 -1.899 -18.643 -36.447 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 1.798 0.500 -1.253 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 -13.619 10.440 -23.024 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 9.843 -25.387 -4.499 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 4.739 -1.466 -1.007 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 8.352 -6.078 -16.365 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 -14.492 -7.110 -2.320 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 -5.015 4.391 2.848 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 3.245 0.292 -10.441 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 11.189 -0.950 -13.376 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 -6.946 3.146 -0.513 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 1.585 0.434 1.895 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 5.451 -15.180 0.191 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 -0.985 -1.567 -2.094 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 12.347 0.317 -20.005 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 -7.785 23.810 2.681 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 -3.249 2.957 5.126 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 21.320 9.242 -3.809 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 3.880 2.091 -6.251 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 -2.169 -0.092 -0.836 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 -11.444 14.392 -35.954 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 -4.386 3.825 -10.784 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 3.183 -3.011 -2.548 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 16.984 13.713 -4.869 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 -1.534 -16.609 4.806 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 2.166 0.892 -1.127 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 -16.780 10.148 -21.818 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 11.637 -28.075 -7.707 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 6.513 -2.389 3.009 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 -5.579 -20.848 -7.018 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 -13.924 9.774 15.120 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 -4.339 8.028 -2.060 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 -3.209 -1.404 3.108 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 -14.527 25.331 5.061 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 0.075 2.689 -0.192 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 3.789 6.058 -12.988 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 -15.846 -2.990 3.875 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 -2.707 4.644 -6.498 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 -15.779 -8.125 -18.974 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 -7.381 5.018 2.013 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 6.790 -7.343 -4.085 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 -2.425 -24.293 24.451 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 -0.253 14.444 5.346 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 -1.851 1.593 1.603 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 12.395 -24.682 -12.522 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 -6.026 -18.189 -5.731 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 1.796 3.080 10.070 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 11.140 1.230 14.223 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 -2.575 -3.727 15.173 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 -1.468 -2.940 2.941 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 9.171 -5.863 -10.271 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 2.240 16.673 5.092 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 6.435 8.900 -4.020 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 7.127 7.731 -16.781 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 -2.961 17.796 -0.901 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 2.308 -0.395 2.430 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 2.819 -1.877 -1.917 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 -2.008 3.411 1.758 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 4.247 3.148 5.087 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 -12.181 8.654 0.247 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 11.642 -1.424 -9.081 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 3.105 -3.263 -0.944 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 -6.791 -5.852 -15.844 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 8.947 -4.196 3.758 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 4.515 4.525 -2.782 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 22.982 16.054 7.151 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 -12.388 -1.069 14.241 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 1.727 3.465 -3.562 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 1.251 -6.955 6.162 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 -0.788 -8.819 5.883 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 -6.924 0.603 -1.093 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 -20.761 -2.748 -3.553 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 -2.998 1.490 3.181 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 -2.853 -0.921 0.250 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 -2.137 -2.376 0.628 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 1.491 0.157 18.698 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 0.143 -4.708 3.709 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 2.833 0.747 8.816 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 7.079 -5.525 -0.299 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 -0.191 0.985 2.991 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 -8.843 8.388 10.852 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 -1.758 -9.271 -0.599 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 -1.028 -2.817 10.127 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 -3.822 -1.099 1.068 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 6.712 -0.493 7.395 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 2.405 5.726 -4.536 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 -31.955 -18.134 -16.575 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 -0.468 5.026 -6.318 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 -3.952 -1.333 -6.326 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 0.246 -23.740 6.594 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 27.305 -13.575 -8.636 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 -2.551 -4.416 6.291 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 -13.528 -7.599 5.630 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 -5.121 7.254 9.679 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 -2.632 -5.067 1.435 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 -1.892 25.180 6.179 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 1.114 8.199 -3.064 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 4.481 -2.270 3.960 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 5.771 -7.389 12.100 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 -4.692 -3.623 2.996 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 0.694 1.882 5.043 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 0.131 -4.219 3.348 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 -3.181 15.492 -11.137 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 -3.954 3.103 0.962 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 27.226 -3.418 -0.666 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 8.926 0.536 -2.323 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 -0.780 -3.370 -0.314 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 -3.581 21.384 5.153 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 -26.234 -22.461 -8.393 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 -2.670 9.155 -0.662 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 -16.096 2.177 -2.414 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 -31.042 -16.081 -0.481 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 -2.879 12.233 8.206 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 0.667 11.340 -10.031 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 -13.461 -0.737 10.501 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 9.222 2.308 -4.954 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 15.393 0.326 0.854 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 20.874 9.211 0.327 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 -1.926 -2.526 -0.773 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 26.497 -4.543 18.869 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 -12.077 -7.717 18.375 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 -5.127 0.513 -2.276 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 -7.733 6.123 -4.596 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 2.293 -11.681 1.894 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 -0.631 -6.974 8.451 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 -2.362 -1.531 -7.815 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 8.780 1.033 -26.017 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 -4.649 -1.804 -4.958 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 6.455 -2.265 31.556 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 -17.718 20.548 -16.708 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 1.350 -6.269 -1.155 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 -10.973 -7.383 4.618 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 5.933 20.425 17.545 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 9.216 5.220 -4.932 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 11.632 -19.267 -0.313 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 -23.482 -10.907 3.370 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 -7.130 4.007 2.256 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 -10.598 11.445 -1.081 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 -15.272 25.467 -7.721 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 -1.633 1.510 -1.392 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 8.245 17.735 -3.524 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 10.400 -11.586 1.067 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 -4.305 5.104 3.663 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 14.101 6.127 -0.074 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 -7.504 21.897 12.692 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 -1.129 3.354 -0.576 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 -23.447 -6.358 -8.589 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 24.277 9.660 19.086 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 1.295 0.661 1.071 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 -0.413 15.535 26.107 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 6.212 -26.924 8.820 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 0.556 1.171 6.896 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 -2.009 5.624 7.946 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 -0.480 -16.357 10.067 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 2.435 8.384 0.833 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 -19.822 -9.781 -9.098 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 -12.350 -4.698 -5.369 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 -0.264 -0.175 -2.770 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 0.018 3.008 -20.132 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 -0.394 1.338 -10.611 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 -0.327 2.621 2.574 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 -4.399 4.140 5.311 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 0.346 9.194 12.066 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 1.514 2.195 -3.330 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 -3.466 -0.443 -13.707 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 -15.067 6.736 23.324 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 0.225 2.968 0.153 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 2.171 10.764 -18.469 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 11.443 -14.214 -0.168 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 1.189 -1.264 0.759 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 -6.700 2.604 12.308 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 8.364 -14.243 -3.104 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 3.023 1.681 -0.778 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 11.945 14.463 -22.637 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 4.953 -8.472 -15.403 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 0.404 7.453 9.382 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 5.768 -12.905 4.611 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 1.709 9.748 11.787 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 7.062 5.470 3.001 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 -6.925 -0.378 -8.985 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 -15.940 -7.710 -7.605 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 -0.246 -4.972 3.441 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 -12.385 -0.773 -0.612 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 -5.370 0.908 -3.716 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 -1.669 0.834 4.991 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 3.894 22.019 15.860 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 16.335 -11.672 9.409 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 6.009 -1.925 3.679 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 -10.050 -23.994 -8.811 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 21.339 -9.155 8.788 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 -4.677 -1.085 -1.840 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 4.429 6.120 -5.652 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 -1.705 -5.360 9.239 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 3.436 3.720 4.658 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 8.975 -3.696 2.699 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 4.367 1.786 7.432 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 -4.456 -2.714 -2.019 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 3.876 27.954 -11.464 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 5.564 4.745 -12.103 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 -4.768 3.213 -1.247 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 4.666 18.709 8.119 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 -20.126 6.606 8.775 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 -0.745 1.010 -1.227 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 -15.153 10.888 -7.304 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 -16.013 -14.216 4.174 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 -3.712 -3.053 -6.718 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 -18.496 14.812 -4.329 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 -25.231 18.980 10.209 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 0.006 1.183 -2.182 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 -10.762 1.005 14.320 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 -7.089 7.581 30.203 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 2.468 -6.550 4.969 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 -5.290 -11.494 17.989 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 -14.213 -1.700 3.769 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 -2.140 -3.727 2.230 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 -17.841 -8.813 15.182 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 -13.240 11.670 -2.611 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 4.309 0.356 10.366 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 12.764 -0.536 13.290 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 0.391 -18.786 3.229 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 -1.135 0.462 2.973 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 -25.650 21.287 10.470 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 1.813 -10.612 -10.563 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 -0.428 -5.243 -4.096 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 8.496 16.932 3.232 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 25.421 -12.191 8.490 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 -5.454 0.153 -2.209 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 -2.941 8.837 9.947 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 -7.534 -3.589 -6.615 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 6.330 -1.288 1.233 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 -1.540 15.656 -0.335 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 0.729 12.019 -6.332 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 -4.596 -2.902 0.951 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 -6.257 -6.172 -10.529 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 -4.904 -16.836 7.422 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 2.359 -9.124 -1.094 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 6.268 -12.295 0.320 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 -16.931 8.044 -8.435 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 -0.681 -3.090 -1.528 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 -3.196 3.273 9.327 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 -1.271 -1.502 -0.573 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 0.814 -0.732 1.950 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 0.035 -3.413 -15.995 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 -0.183 14.385 0.298 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 2.245 4.454 4.746 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 7.045 7.897 0.220 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 13.227 -15.188 0.010 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 4.801 1.305 2.606 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 -11.837 -11.144 17.514 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 -3.884 -5.433 15.828 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 3.901 2.621 -2.457 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 3.094 9.766 3.642 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 3.195 -2.300 1.469 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 0.153 5.335 -2.861 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 11.345 13.369 -10.246 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 -11.672 20.853 3.023 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 1.999 -2.073 0.171 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 -3.197 1.095 11.123 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 4.062 -7.639 -5.498 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 0.037 3.163 -4.484 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 -2.964 4.731 15.207 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 3.916 9.782 -2.457 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 4.708 2.504 5.188 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 -13.072 3.469 -3.600 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 -50.373 11.986 -7.702 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 1.141 -10.696 3.065 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 5.986 0.538 16.750 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 -10.862 5.000 5.669 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 7.793 1.808 -1.891 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 -13.950 14.420 21.771 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 14.214 1.172 -4.376 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 -2.399 -7.563 10.760 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 -2.473 -6.343 -10.593 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 -23.163 -12.276 9.510 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 3.376 -8.339 -3.689 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 18.409 -14.621 13.072 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 -10.417 7.066 4.789 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 4.188 -1.969 2.960 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 10.320 -11.780 3.731 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 1.618 3.806 -17.308 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 -1.505 -2.334 3.403 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 -11.756 14.222 1.308 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 6.522 2.270 2.575 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 3.183 3.091 0.079 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 -21.311 -10.293 11.856 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 -13.557 -12.868 5.505 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 -2.414 1.231 0.143 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 19.936 0.831 6.121 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 -12.082 4.193 17.551 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 -4.510 0.169 6.395 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 -5.593 6.359 4.475 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 -9.828 15.758 10.915 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 -0.202 0.369 3.591 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 19.053 0.296 -12.014 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 15.349 -6.133 -0.232 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 0.079 -1.672 1.710 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 14.097 8.893 -2.088 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 -20.273 -0.520 4.005 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 -0.455 -2.095 1.764 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 3.880 7.711 10.693 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 12.695 -2.513 -4.895 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 -7.047 10.427 -0.430 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 10.313 17.235 8.455 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 -13.872 -2.375 -19.495 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 -3.662 -4.023 5.862 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 3.175 -28.030 14.639 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 -6.975 16.503 7.154 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 -5.061 -1.429 -6.837 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 19.967 16.895 -10.820 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 -25.424 32.963 15.658 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 -1.143 3.524 1.182 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 -3.673 2.080 13.053 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 -13.840 1.817 24.712 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 0.539 -5.654 7.320 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 -9.323 -7.171 21.530 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 -4.408 9.407 4.133 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 -6.182 -1.482 -1.670 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 0.529 12.096 -4.449 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 4.583 19.332 -0.807 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 -3.597 5.518 -1.620 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 3.076 2.626 -15.606 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 -5.413 17.762 22.609 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 -4.087 -3.113 -4.188 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 -5.665 4.405 12.210 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 10.419 -12.098 -4.216 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 -1.548 -7.101 1.126 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 -5.531 -10.168 9.453 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 -13.761 -23.510 19.340 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 5.989 -5.400 -0.011 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 10.748 4.183 1.007 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 9.127 2.566 2.577 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 -1.905 -0.637 0.894 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 -17.826 -25.684 6.325 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 -23.821 -16.037 1.713 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 3.237 2.130 0.610 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 2.934 -1.238 0.325 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 7.294 3.789 -0.472 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 1.509 -0.100 -0.750 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 -14.415 3.966 -6.919 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 13.369 -19.744 -13.736 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 1.582 0.884 -1.780 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 2.404 2.671 -2.806 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 7.375 -16.962 3.484 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 -8.574 -4.717 -0.348 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 -10.930 13.868 12.647 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 -26.361 -16.574 3.078 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 1.081 2.565 5.065 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 6.828 14.743 4.370 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 -11.895 1.483 19.590 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 -4.102 0.219 -2.256 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 22.935 -0.388 -0.870 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 -13.055 15.707 27.367 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 -2.928 -2.804 1.172 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 -25.211 -6.962 18.278 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 14.252 -2.052 2.810 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 4.942 -1.259 -6.019 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 13.429 -3.657 -13.131 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 3.779 -1.652 -1.561 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 3.500 1.576 1.429 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 -6.730 -2.754 -9.901 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 -9.203 22.596 0.686 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 1.110 -4.921 -7.065 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 2.493 4.294 -10.643 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 10.262 -36.759 14.512 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 1.540 1.692 3.266 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 9.349 -2.275 7.749 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 -4.718 5.012 7.010 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 -0.210 3.792 1.772 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 2.145 18.823 -14.531 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 30.627 0.456 -1.619 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 -1.101 3.742 -3.477 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 15.198 10.552 -7.804 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 2.937 -5.396 11.548 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 2.354 -2.232 0.734 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 -11.038 -2.244 0.590 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 3.001 9.441 -8.561 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 5.838 -1.608 -1.935 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 9.432 12.213 15.495 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 14.860 23.313 -14.847 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 1.479 2.503 -2.194 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 -16.701 -1.317 -23.043 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 -9.640 25.242 -7.504 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 -2.781 -1.386 -4.338 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 4.365 -12.952 -1.022 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 23.731 -9.255 10.697 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 -1.319 7.571 -3.869 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 0.350 -1.433 -1.715 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 -11.794 6.395 -13.499 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 0.210 0.222 -0.945 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 6.393 -2.477 -4.311 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 -13.950 4.765 4.490 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 -2.351 6.612 5.586 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 -8.233 12.592 -8.755 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 6.510 -5.603 16.468 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 -1.756 4.662 -0.299 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 7.183 5.666 -14.396 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 -0.987 26.297 -1.105 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 -12.073 0.575 -5.562 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 -2.592 9.088 16.561 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 -24.895 -31.983 -35.664 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 6.052 0.864 0.669 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 6.015 1.590 8.181 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 16.374 6.630 2.381 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 2.890 3.864 2.382 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 6.998 26.944 -1.274 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 0.571 -8.813 6.383 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 -3.963 6.234 -1.094 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 7.891 -3.662 -4.182 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 -1.831 14.423 5.552 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 1.167 -7.657 5.491 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 6.640 8.377 19.983 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 -0.963 -12.649 11.115 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 -5.441 3.200 3.958 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 -4.713 -1.686 4.018 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 -5.516 7.058 5.270 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 3.789 5.799 -2.313 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 8.195 -9.103 19.964 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 -13.398 4.575 -3.231 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 5.092 1.065 0.744 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 -6.124 -3.303 -26.085 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 19.038 4.185 21.810 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 0.591 2.367 -3.188 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 13.942 -23.451 -8.885 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 -11.034 9.489 8.963 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 -5.730 -2.224 -6.279 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 -1.115 -0.051 20.078 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 -5.132 0.414 -6.336 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 -6.090 -6.041 -2.289 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 -22.707 -7.269 -7.525 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 -6.386 -0.350 17.350 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 6.283 6.728 -6.072 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 -17.207 28.647 8.238 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 -11.622 -14.954 -24.686 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 1.867 4.007 4.018 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 -13.687 11.809 -8.932 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 4.812 5.022 11.665 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 0.871 -6.667 1.738 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 20.457 -12.722 -7.965 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 -4.835 1.778 15.605 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 -3.597 -7.796 -7.989 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 -12.339 -10.284 5.590 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 4.441 -6.402 -25.547 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 -3.138 -6.201 0.130 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 4.159 12.938 -13.941 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 4.029 11.362 -12.944 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 -2.887 -7.821 -4.484 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 16.889 -7.648 8.646 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 0.162 -8.051 -2.139 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 -4.615 -5.860 -2.597 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 -7.969 9.666 5.335 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 -7.490 13.694 3.728 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 3.800 1.878 6.900 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 3.508 6.576 9.252 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 4.788 4.491 7.947 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 3.910 7.580 8.385 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 16.227 -30.178 -1.204 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 19.354 -3.811 -2.385 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 1.412 -6.963 -1.825 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 2.070 -8.737 5.884 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 0.991 -4.967 -0.846 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 -1.621 -1.882 -0.472 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 24.320 -3.044 -5.554 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 -8.117 -20.389 10.566 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 -6.621 -1.690 2.377 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 -7.079 6.032 12.627 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 -11.537 -6.810 -18.030 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 1.390 -0.132 8.159 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 -29.970 -29.061 14.601 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 -6.036 4.027 13.001 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 -1.065 0.050 -2.851 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 -6.575 -16.002 -5.185 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 9.654 -3.218 1.909 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 -5.987 -0.079 -0.062 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 -3.534 -7.720 -4.674 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 -12.537 31.955 -13.310 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 -4.424 0.950 -5.453 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 4.511 23.086 -5.281 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 4.767 18.573 20.105 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 2.282 1.480 -1.590 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 3.323 0.091 2.304 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 -9.173 0.492 2.266 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 -4.438 2.132 -1.311 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 6.414 -4.207 -7.690 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 -8.101 3.416 -0.306 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 -8.193 3.625 -1.783 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 -11.223 -0.103 -2.185 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 -8.917 7.075 -0.713 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 -1.648 -2.146 -3.574 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 -24.173 -9.442 8.694 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 -3.314 -12.275 32.525 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 1.148 -0.440 1.273 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 5.570 10.089 -17.747 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 -8.247 -7.599 0.414 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 -0.996 4.584 1.941 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 -0.188 -12.631 -9.502 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 9.748 -5.402 -14.366 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 5.206 0.473 5.169 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 9.785 -1.666 1.136 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 -17.849 4.775 26.224 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 -4.368 -0.946 1.277 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 -2.399 -2.959 13.478 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 -8.298 12.937 4.681 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 2.027 1.283 -1.067 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 -1.052 5.023 -15.097 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 -3.959 18.602 -12.441 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 -3.441 -3.942 -1.352 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 3.651 -4.458 -6.699 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 -15.132 -16.842 -5.746 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 1.453 -4.084 -1.262 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 13.758 -25.729 -2.730 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 -5.920 6.562 0.883 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 -3.271 1.181 4.663 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 -0.445 1.145 -13.486 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 5.436 -16.133 9.540 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 6.900 2.839 -1.693 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 2.283 -12.184 10.202 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 18.755 2.322 -7.035 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 1.928 -2.454 -8.913 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 15.165 31.254 7.093 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 3.167 -20.345 -22.014 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 -7.053 0.595 1.341 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 -1.811 -3.553 -21.734 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 -18.195 5.034 24.949 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 3.365 -4.779 -8.448 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 -12.262 -0.500 0.352 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 6.365 2.246 -2.601 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 7.214 2.879 2.701 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 11.924 7.918 -10.724 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 18.322 4.867 17.075 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 -2.401 -0.079 3.895 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 8.928 7.791 -1.044 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 -1.125 13.450 -5.142 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 2.720 3.812 5.984 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 4.993 4.850 2.688 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 7.242 5.514 -2.341 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 5.118 3.875 -1.145 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 1.391 -6.534 -9.888 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 -3.808 8.428 1.818 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 2.538 -4.246 -1.832 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 1.861 -3.985 -2.434 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 6.672 -4.971 1.125 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 0.769 2.523 -0.642 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 10.147 27.134 0.428 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 -1.837 -13.607 0.837 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 2.251 2.383 -7.783 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 -8.047 4.059 -23.820 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 -1.877 2.608 -14.382 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 -0.485 1.217 4.108 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 11.480 10.650 -2.800 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 -5.607 -12.688 -5.398 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 -6.609 2.241 2.609 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 -3.676 -1.997 4.741 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 -7.720 14.610 4.606 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 6.337 -2.356 -3.627 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 13.837 22.392 14.799 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 9.557 -1.503 -6.434 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 4.038 3.192 1.204 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 2.524 -11.485 -8.010 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 1.171 15.075 2.095 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 -2.903 1.638 2.846 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 -17.139 -5.357 -13.812 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 9.542 7.301 14.392 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 1.098 -5.316 1.922 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 6.836 5.892 12.775 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 0.285 -15.974 -2.346 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 8.057 0.546 -6.996 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 -1.535 -12.915 6.416 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 -11.723 -27.588 19.903 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 4.324 2.402 -5.566 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 15.078 1.841 -6.335 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 12.208 3.935 11.729 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 -1.790 0.538 -1.646 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 3.854 -0.924 37.911 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 -3.119 -27.658 15.584 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 5.876 1.517 2.015 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 -25.468 11.502 13.872 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 12.021 26.821 3.332 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 -2.211 -0.966 1.207 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 -10.080 0.468 3.190 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 57.493 9.513 -4.497 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 6.174 2.070 6.166 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 9.944 -1.965 14.454 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 0.672 20.471 -8.139 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 3.723 12.638 -6.556 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 3.005 0.599 -1.119 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 -5.020 18.549 7.065 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 -0.746 0.901 0.886 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 -6.721 -16.484 -9.694 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 -14.932 -42.444 -8.622 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 -3.345 0.909 3.948 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 -3.177 1.723 4.268 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 4.211 -3.246 -4.922 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 1.310 8.838 -5.862 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 3.339 6.246 2.403 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 -6.926 8.496 -2.199 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 0.420 -5.654 -0.836 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 18.174 4.815 -3.622 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 -5.647 -7.465 16.628 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 0.644 -0.719 6.348 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 3.221 -2.136 7.019 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 7.154 -0.437 7.974 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 -6.358 1.059 1.203 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 19.176 22.415 -10.581 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 17.817 -10.236 24.968 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 -2.351 1.516 -3.209 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 -7.658 12.513 -9.781 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 10.644 -2.404 7.358 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 1.390 0.970 -1.808 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 -7.468 -15.290 -7.877 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 1.402 -3.615 3.523 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 -4.345 2.086 5.745 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 7.097 -21.129 -5.748 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 -9.430 12.424 10.713 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 -3.994 -0.309 6.933 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 -17.278 -14.361 7.313 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 4.654 6.396 14.595 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 -1.355 4.200 -4.110 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 20.218 13.115 -6.988 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 3.638 15.627 -5.434 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 2.930 -2.003 0.815 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 18.549 -6.480 6.389 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 -10.252 11.035 -12.304 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 -1.127 -4.975 -0.210 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 -6.254 -3.454 7.009 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 11.676 1.697 -7.494 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 -2.599 1.824 6.745 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 -26.505 31.023 8.688 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 5.005 -13.085 20.446 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 -5.709 -2.862 -3.030 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 -6.333 6.181 -3.057 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 -12.415 -3.502 -0.102 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 -2.350 0.086 0.838 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 -2.138 -6.169 -5.815 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 -0.055 1.620 0.007 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 -1.885 -8.431 5.436 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 1.818 -24.878 -3.444 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 -2.574 -4.871 7.869 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 4.728 1.735 -0.579 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 11.980 2.957 11.394 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 3.001 -4.450 -3.697 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 1.822 0.088 5.631 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 -9.736 -4.695 6.184 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 2.031 23.022 12.920 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 -0.348 6.578 -4.617 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 -7.671 18.998 5.870 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 8.196 7.339 -8.014 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 -1.036 -5.995 -3.313 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 -3.933 4.634 4.976 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 -0.585 -13.519 -17.475 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 0.546 0.803 0.929 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 8.177 -19.610 8.387 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 -4.156 13.359 -6.324 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 -7.591 -4.076 2.081 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 7.889 -21.872 -6.035 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 -19.104 8.952 7.129 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 -1.956 -2.202 -1.022 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 -11.595 12.201 8.594 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 1.577 -9.753 -4.327 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 6.938 -12.097 -2.174 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 -11.528 1.392 -6.648 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 2.243 -7.117 4.227 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 1.288 -2.185 -3.543 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 4.523 16.101 -15.576 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 4.290 10.541 -12.479 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 -0.671 -3.887 3.202 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 -4.356 -11.897 5.800 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 1.548 2.286 1.973 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 -1.950 -0.272 -1.776 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 3.480 -6.948 3.389 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 -9.456 -0.084 -2.978 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 2.157 -0.303 -3.146 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 5.687 6.593 -7.868 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 -10.215 -20.318 12.976 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 5.772 -3.672 -0.318 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 9.697 13.883 5.947 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 16.227 1.472 -11.681 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 -6.894 0.102 -4.769 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 -2.049 -15.753 27.681 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 7.956 30.973 26.507 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 5.083 -1.405 -3.219 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 12.084 1.305 -0.327 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 -22.680 0.903 -3.461 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 -0.008 -8.410 -4.142 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 -14.453 -24.195 10.480 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 10.181 -5.968 8.868 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 4.709 -5.399 2.257 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 -14.018 3.047 9.580 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 37.352 -13.539 -6.025 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 -2.091 -4.261 1.393 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 -9.842 -3.733 -8.104 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 5.800 -10.607 4.878 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 4.351 -1.220 -4.777 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 9.602 -1.716 -0.540 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 -8.512 -3.145 -10.068 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 3.197 -1.574 -7.466 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 -3.259 -33.961 -25.508 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 -6.596 19.790 0.654 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 1.755 0.589 -1.088 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 11.376 9.249 -12.394 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 -0.895 -2.624 21.073 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 -3.665 1.797 -0.179 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 -1.670 -0.393 -7.702 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 13.047 34.304 -9.780 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 -2.982 3.624 5.864 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 4.283 -9.866 3.653 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 -17.573 -0.665 7.474 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 -1.183 5.297 5.483 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 6.359 -10.468 14.961 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 29.266 10.716 -4.646 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 -0.546 -4.137 2.966 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 -3.488 -11.739 9.792 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 1.073 11.258 -11.310 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 -4.236 4.390 -0.139 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 5.802 2.941 18.055 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 -14.197 6.332 -19.557 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 2.160 3.794 -2.211 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 13.774 6.629 10.637 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 -3.909 -3.679 -25.224 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 4.022 0.309 8.857 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 1.369 -10.137 13.097 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 -5.918 5.428 14.825 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 2.364 2.979 -1.483 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 15.466 4.664 -0.655 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 -1.590 -4.321 -25.365 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 -2.821 1.193 2.434 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 6.273 -9.689 -4.950 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 8.477 -12.060 -6.564 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 0.120 6.178 2.342 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 -18.698 -30.240 7.666 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 35.581 -11.630 -11.115 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 2.746 2.891 0.942 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 2.695 3.673 0.914 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 3.300 -2.986 2.391 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 0.242 -2.765 -3.853 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 3.246 -0.227 -2.152 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 4.168 -6.947 -2.312 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 5.384 -3.248 3.972 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 7.325 -5.063 2.896 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 21.603 7.596 4.104 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 3.813 -1.476 -4.976 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 0.769 3.944 0.681 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 -26.383 -0.906 -8.857 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 5.097 4.039 3.602 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 -0.378 1.925 -5.217 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 5.966 0.835 12.029 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 -0.970 0.374 1.572 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 -7.608 5.970 -6.421 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 5.802 -4.620 7.787 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 2.355 0.277 3.779 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 -5.163 11.210 -0.055 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 3.419 0.571 -6.430 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 10.018 0.457 4.978 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 -38.639 2.837 -7.328 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 -1.564 -10.578 11.778 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 -3.177 1.466 0.032 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 -13.064 -7.106 4.784 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 -1.146 8.810 0.317 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 6.285 1.592 3.763 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 6.128 12.548 -7.630 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 -5.858 -3.730 -5.666 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 -1.205 1.167 -4.240 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 -23.057 10.049 -20.688 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 7.831 -17.172 4.976 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 0.579 -0.335 0.959 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 -1.007 18.574 36.116 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 7.774 -4.390 -12.430 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 1.442 -3.800 3.342 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 1.964 0.960 22.514 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 -15.592 7.917 -5.650 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 -1.130 -0.086 -1.230 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 22.350 7.931 -11.324 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 4.197 16.153 26.479 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 -7.088 1.255 7.273 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 -5.746 0.854 7.043 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 2.402 3.855 -16.917 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 0.575 3.033 -4.282 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 23.989 6.787 1.739 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 11.161 -7.528 -12.982 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 3.221 1.294 -5.088 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 11.508 -18.209 -0.840 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 5.360 12.696 9.774 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 0.031 7.234 3.370 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 -16.535 12.163 -1.701 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 -31.445 -24.601 -2.137 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 0.247 2.457 -3.337 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 -3.091 2.954 -13.778 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 -10.437 -21.490 -20.473 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 -4.263 -0.797 0.347 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 18.815 -6.761 20.412 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 -9.609 -2.870 7.006 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 -2.724 -1.016 5.193 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 9.090 6.311 5.574 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 2.982 -12.866 -2.063 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 0.813 3.874 0.543 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 5.253 7.436 -0.737 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 -5.960 2.738 2.973 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 -5.329 2.593 -4.613 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 -5.722 2.119 -5.068 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 -16.349 -11.539 0.139 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 0.505 3.472 4.116 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 4.171 -1.951 1.333 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 4.271 6.892 10.285 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 1.274 0.177 -0.452 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 -3.722 26.707 -0.181 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 -10.793 -30.895 -5.847 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 2.004 2.302 -2.655 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 -17.028 -24.575 14.940 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 37.628 11.296 -15.166 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 -0.943 -1.661 -2.656 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 6.450 -2.308 -2.725 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 17.098 12.112 -32.100 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 -2.403 12.064 -7.233 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 16.752 -8.453 -21.703 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 -10.129 16.266 -14.979 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 -7.554 -4.790 -0.797 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 -6.262 -3.429 14.368 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 -7.654 -10.306 -12.564 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 -4.155 2.496 5.735 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 16.845 -4.885 10.579 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 -12.243 10.486 6.197 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 5.613 1.930 -2.910 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 -11.247 -10.895 -3.592 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 2.887 11.930 -0.418 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 4.860 -7.056 -1.801 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 -11.073 4.637 8.824 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 -5.648 -21.512 -20.292 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 -0.434 3.103 -2.912 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 -3.759 12.662 4.894 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 -6.411 -2.746 -18.327 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 -0.399 2.879 4.689 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 6.564 10.822 -27.264 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 1.738 0.858 -5.903 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 4.698 2.116 9.235 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 11.185 7.008 -6.516 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 -3.257 16.600 14.622 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 -3.771 -4.068 -3.284 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 -4.404 1.640 -4.477 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 -9.443 1.086 -1.720 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 2.220 11.201 -1.926 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 12.908 20.447 7.811 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 4.190 1.751 3.805 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 -3.843 -6.512 1.440 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 -15.216 3.341 -3.150 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 11.833 -16.605 20.523 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 -2.437 -0.182 -1.875 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 -2.125 -1.224 -1.450 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 -3.451 -2.696 -0.283 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 0.382 -4.147 4.835 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 1.347 -1.170 22.671 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 2.889 -7.865 -6.669 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 1.503 0.439 -0.656 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 7.347 14.147 -3.155 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 13.649 -9.075 8.577 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 6.527 4.745 3.846 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 11.422 26.756 -6.574 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 -6.320 16.503 -4.256 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 -1.133 -3.326 0.720 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 -9.597 -13.428 -0.263 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 -1.285 3.320 -0.867 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 -1.002 4.589 1.464 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 -16.440 2.855 4.252 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 7.285 2.837 15.882 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 -3.051 -4.318 -0.760 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 -1.255 11.634 2.327 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 -9.459 -9.629 -5.894 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 -7.024 1.114 -1.411 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 -7.994 -14.192 5.209 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 -9.020 -1.478 1.024 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 3.641 -1.840 8.014 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 1.008 16.604 15.420 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 19.415 -7.105 14.983 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 5.716 -0.846 -2.908 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 20.338 10.533 11.382 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 16.867 -1.026 -4.018 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 1.651 -9.229 0.851 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 -5.294 -11.558 15.502 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 -6.693 -23.401 33.299 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 -0.743 3.405 -0.790 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 -6.389 -9.088 -4.379 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 4.919 5.434 9.391 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 -2.131 3.823 -5.604 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 -8.350 17.128 8.163 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 11.532 -5.366 -4.054 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 -5.977 -3.010 6.358 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 -1.569 -15.384 16.603 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 -19.212 -18.222 -4.605 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 -3.207 -1.611 -4.077 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 -17.444 0.075 -4.258 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 10.170 -0.164 -6.126 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 -0.210 -0.356 -3.273 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 14.004 2.283 2.305 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 11.506 2.579 -0.659 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 -4.472 0.708 -4.123 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 -15.179 -20.115 17.120 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 -27.545 12.492 11.183 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 -1.357 -2.260 2.574 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 -10.308 -5.401 2.279 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 11.260 3.816 2.396 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 -6.213 4.979 8.803 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 -8.005 -17.287 31.925 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 -16.119 8.763 9.589 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 8.734 7.076 -2.189 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 4.637 3.058 -2.494 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 6.597 11.026 -6.218 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 -4.542 -0.235 -5.706 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 -20.752 -1.231 -14.544 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 -0.970 18.896 -10.576 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 2.531 -4.114 8.815 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 1.292 -4.566 10.673 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 -4.358 10.438 -6.434 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 4.054 5.164 5.659 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 -15.347 5.412 -10.531 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 -25.006 1.923 -21.169 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 -2.865 -0.229 -2.560 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 -3.250 -3.289 -2.027 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 -7.301 17.807 0.722 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 4.115 -2.644 2.414 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 -11.550 16.263 -3.899 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 21.715 -2.621 -17.396 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 4.983 -4.019 -6.483 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 2.961 -9.171 -10.834 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 5.717 -2.930 1.698 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 1.517 8.802 -5.145 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 1.298 -8.137 -11.752 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 1.431 3.548 -7.355 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 -1.718 -1.485 1.824 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 -9.857 -7.225 7.372 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 0.291 -0.247 -0.232 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 -4.461 -0.092 -5.954 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 -9.156 -6.746 1.828 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 2.746 17.182 9.270 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 -4.530 6.082 -6.912 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 -15.654 -5.486 11.537 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 17.209 -0.718 -4.917 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 2.002 -10.473 5.337 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 -20.335 -6.005 14.965 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 -21.135 -8.043 -12.786 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 -1.762 3.687 3.589 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 -4.554 5.668 6.821 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 -1.960 10.829 2.844 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 -3.769 -0.845 -1.895 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 -7.742 -1.882 -9.416 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 -1.297 1.053 4.012 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 -2.840 3.863 -4.459 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 -12.917 5.009 -19.283 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 23.285 10.059 19.345 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 3.594 6.556 4.607 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 5.675 5.339 -9.931 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 -5.929 2.159 13.905 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 5.378 -1.865 -4.460 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 11.536 0.268 -8.558 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 13.933 -9.382 -9.635 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 -1.952 2.317 5.047 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 16.578 -4.786 -1.251 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 0.700 4.220 4.939 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 0.217 2.254 -1.473 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 12.655 -10.958 -7.002 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 2.158 -6.668 -7.777 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 6.009 -2.636 1.019 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 7.775 -5.947 0.005 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 14.653 -5.788 3.971 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 8.364 -1.728 -5.129 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 -21.357 -2.779 -4.493 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 -6.186 9.259 -9.269 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 -3.633 -3.756 6.849 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 -6.040 -11.647 0.813 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 6.642 -5.117 25.973 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 -3.886 3.179 2.280 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 -0.752 -3.089 8.260 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 9.962 -3.316 0.609 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 2.928 0.109 -5.836 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 -9.104 -6.547 -2.034 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 12.947 -0.543 -13.595 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 4.537 2.719 1.923 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 16.918 -5.571 -8.385 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 11.928 -10.462 4.903 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 2.731 -4.725 -3.204 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 -19.569 -36.540 6.120 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 9.489 -0.110 5.728 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 -0.088 -0.294 5.748 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 10.062 24.169 4.601 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 6.164 24.341 3.891 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 6.661 -2.384 -3.640 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 7.923 -17.945 -20.389 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 4.966 6.124 5.857 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 2.139 -0.388 -7.241 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 3.010 25.352 1.436 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 -20.214 -29.168 -1.239 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 -7.012 -1.787 -7.958 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 -24.731 -15.741 18.363 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 -11.531 -20.684 11.521 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 6.592 1.169 -4.335 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 15.125 -3.298 -12.196 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 0.940 1.951 13.569 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 4.810 -9.482 -2.355 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 -9.014 -1.691 4.917 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 5.606 0.675 22.545 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 2.682 -0.014 4.961 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 -10.346 15.699 33.144 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 9.095 7.439 -24.018 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 0.239 10.435 2.055 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 12.638 5.712 -1.148 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 -2.019 -3.106 12.119 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 -8.666 5.092 5.686 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 22.925 14.156 22.418 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 0.041 12.539 9.004 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 -1.575 6.281 1.882 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 -20.177 9.276 34.917 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 -18.732 -3.154 2.151 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 0.802 1.175 -2.234 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 -14.517 0.855 13.499 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 17.959 -15.165 4.343 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 0.177 -2.109 -4.632 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 0.144 7.589 19.672 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 -22.162 10.167 2.058 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 2.391 9.111 -2.576 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 7.491 8.467 -1.190 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 7.491 4.556 0.993 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 0.524 -1.297 2.302 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 -32.634 -35.004 24.085 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 0.781 5.520 -4.066 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 0.905 -2.712 0.568 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 17.209 -15.553 30.112 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 20.626 28.817 -8.326 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 0.856 -2.445 -5.745 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 21.830 -2.967 6.242 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 19.095 -2.951 4.418 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 -3.089 -5.279 2.653 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 -2.842 -17.188 -15.811 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 17.753 -8.289 11.015 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 2.188 -0.357 4.445 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 -7.370 9.329 11.993 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 4.002 19.396 -3.777 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 5.181 3.131 4.643 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 3.971 19.486 26.198 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 4.439 1.241 17.829 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 4.184 -4.231 0.958 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 -4.422 2.991 2.651 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 20.670 -30.014 10.553 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 -4.156 4.289 -6.544 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 -1.538 2.621 -8.331 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 0.403 6.539 -7.228 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 -5.189 -1.909 -4.160 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 -7.903 -8.499 2.444 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 -4.916 -4.638 -5.294 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 -2.160 0.110 5.023 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 -12.997 5.267 2.976 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 9.524 -6.022 6.006 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 -1.162 -4.968 -2.223 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 0.287 6.658 13.056 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 -3.563 -7.232 8.956 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 0.485 0.523 -5.663 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 -3.810 6.955 -22.318 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 -12.806 7.124 3.561 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 -2.103 6.725 3.609 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 -1.875 7.913 14.228 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 2.437 12.521 9.842 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 1.974 -6.402 -0.882 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 9.713 -9.136 0.251 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 3.820 -3.381 -13.133 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 5.644 2.834 -1.026 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 3.149 28.250 -2.621 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 14.494 30.019 -6.117 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 -2.665 -3.264 -0.900 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 -11.580 -14.385 9.609 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 -6.275 1.507 5.003 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 3.192 -0.236 0.212 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 17.140 6.611 13.061 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 -10.749 4.167 12.190 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 0.853 4.001 0.531 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 -6.786 2.638 -6.527 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 -5.748 0.559 -2.067 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 2.805 -0.845 -0.555 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 8.797 25.835 -4.055 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 24.824 -9.064 -14.767 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 -3.090 4.060 -8.643 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 -34.096 1.925 -3.594 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 6.164 -18.362 -21.212 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 5.800 0.776 -6.306 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 13.409 3.952 -22.825 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 0.756 -0.649 -8.222 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 0.244 3.751 8.169 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 -0.377 -1.796 -1.714 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 -1.556 9.240 -17.533 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 2.925 -5.129 -0.099 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 -4.216 -2.961 -8.816 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 -6.261 -2.454 -11.616 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 -5.223 -2.184 5.883 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 -10.814 3.077 3.454 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 -30.550 9.617 15.314 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 -0.838 3.303 0.210 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 12.922 -3.557 10.821 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 13.226 28.608 -1.418 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 2.990 -3.440 3.047 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 3.811 -2.548 8.825 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 1.847 -25.656 -29.097 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 2.680 -0.494 4.358 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 -3.884 5.037 8.875 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 0.124 2.468 -1.854 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 4.681 -0.676 0.199 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 5.976 0.131 -0.168 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 8.956 -16.357 11.834 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 0.422 4.445 0.222 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 9.121 15.265 4.658 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 8.614 -19.353 -1.317 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 2.299 2.000 -2.841 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 -10.159 -8.368 5.366 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 -7.227 -1.597 5.148 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 -1.870 7.237 -7.901 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 -5.845 32.184 15.112 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 12.619 -1.501 -3.920 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 6.118 -3.840 -6.732 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 7.733 -3.568 -4.822 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 21.627 5.140 8.684 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 3.532 3.113 -4.239 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 8.029 10.039 1.763 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 2.114 8.255 -3.336 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 6.169 7.683 -4.331 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 9.655 -7.417 2.504 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 6.878 4.160 1.336 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 0.630 -0.532 9.630 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 -3.618 10.442 15.886 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 -6.544 -9.754 7.111 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 3.190 3.103 -2.642 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 17.191 -16.976 -5.592 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 4.774 2.653 19.919 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 -0.419 1.894 6.082 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 -9.107 -1.043 0.412 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 13.697 -5.779 -1.003 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 -0.693 0.141 1.803 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 -4.418 1.925 23.543 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 -9.765 -2.031 -5.284 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 -5.036 1.701 -2.573 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 4.921 5.925 5.473 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 4.989 -8.813 1.113 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 -3.012 -1.703 -0.964 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 -30.280 -7.306 -4.421 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 4.407 4.754 -13.529 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 0.905 2.936 -3.677 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 4.579 14.529 3.576 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 1.519 -19.041 14.082 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 -3.477 1.738 6.647 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 -4.884 6.867 3.567 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 -21.085 -0.399 5.678 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 6.634 -4.138 -6.938 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 1.633 12.491 -18.622 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 10.958 -14.040 0.712 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 -1.749 2.319 -4.944 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 -2.346 -0.866 -7.859 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 0.556 2.404 -2.481 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 6.212 4.648 3.513 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 -15.629 -13.159 -24.807 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 8.920 8.972 6.325 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 0.407 -1.068 2.658 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 20.330 -1.791 -14.642 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 34.510 2.108 4.664 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 -5.944 -2.416 1.567 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 -8.370 2.869 2.315 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 -8.666 -1.526 -5.009 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 -1.129 -6.608 -2.708 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 4.011 -9.847 -4.267 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 -2.695 1.955 -4.732 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 0.918 2.487 3.076 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 26.768 -1.112 18.855 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 -22.889 12.142 2.303 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 2.897 0.108 -1.455 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 10.495 -11.105 14.900 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 8.099 -14.959 -7.902 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 -1.597 2.401 -1.133 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 -7.441 -16.406 -6.614 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 0.606 1.004 20.040 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 -7.064 -0.547 2.728 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 -7.963 19.561 -19.147 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 -19.588 -13.859 10.433 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 1.461 4.400 0.672 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 1.228 -3.075 6.826 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 1.011 -11.373 2.222 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 -1.712 2.995 0.532 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 -22.749 13.737 12.143 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 8.921 6.444 7.013 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 -2.343 -1.412 0.604 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 -3.863 19.163 24.282 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 -16.332 -22.311 20.084 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 -1.470 1.948 -1.325 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 -11.293 12.355 11.338 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 -7.106 -1.740 10.327 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 5.183 4.336 -0.406 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 -5.558 29.120 -15.794 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 31.842 9.063 -1.405 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 5.224 2.087 -6.546 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 4.833 -0.365 -14.320 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 8.324 -1.956 -5.172 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 -5.785 -4.713 0.439 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 -1.669 -1.005 -0.369 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 -4.147 -0.182 -1.328 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 6.258 2.976 -8.005 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 18.030 -15.916 8.571 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 -24.518 0.692 2.298 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 8.686 -3.512 4.805 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 -5.553 -3.231 4.341 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 19.399 14.912 4.834 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 3.260 5.484 5.167 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 -7.435 21.362 9.226 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 12.740 0.174 -10.789 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 6.827 -3.603 -3.544 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 19.494 -16.182 1.913 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 10.752 -4.779 5.945 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 -0.558 5.818 -2.696 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 -1.615 -8.942 -10.918 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 9.724 11.015 -19.916 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 -2.836 -1.134 -7.783 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 20.894 23.816 16.477 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 0.404 -8.830 -9.040 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 -6.337 6.661 4.105 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 0.369 -8.343 16.200 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 -7.208 -11.331 10.027 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 2.884 0.393 -1.379 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 8.302 -1.124 5.191 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 2.841 9.310 -2.815 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 -4.244 2.480 -1.268 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 -10.963 4.457 15.184 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 -1.881 9.327 6.774 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 -0.010 3.623 -4.429 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 -12.324 26.515 14.896 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 7.668 10.773 2.956 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 2.616 3.812 -4.556 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 11.032 5.697 25.264 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 -5.378 33.461 -12.945 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 1.290 1.336 2.001 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 2.385 12.613 25.434 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 -8.236 0.975 2.827 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 2.414 -3.230 6.701 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 4.435 4.158 2.782 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 6.107 10.990 -6.479 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 0.110 -0.397 0.556 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 -17.032 -1.432 23.554 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 -3.956 -13.700 -8.117 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 -0.637 -2.166 -0.827 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 -5.225 -8.827 0.176 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 14.362 -13.213 18.732 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 -4.280 -0.044 6.874 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 5.108 -5.021 10.181 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 -7.716 0.589 2.910 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 0.128 7.505 -1.256 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 -1.525 1.281 5.954 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 -20.167 -23.979 -1.357 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 -2.261 -7.428 -1.389 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 -19.795 9.581 -6.326 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 -19.113 19.236 6.120 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 -2.315 3.817 -0.105 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 25.484 -24.293 -2.963 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 24.651 7.397 17.483 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 3.010 -3.876 -12.740 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 5.457 -0.094 -3.301 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 4.167 -3.204 7.558 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 -1.848 -7.747 -5.788 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 10.862 -9.711 6.150 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 2.405 -8.268 -1.996 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 3.942 -6.847 -1.007 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 11.963 -17.107 44.797 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 0.917 -2.758 -12.397 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 2.356 4.458 -3.807 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 -21.590 4.050 10.373 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 -11.926 -9.802 8.827 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 1.232 3.554 -9.201 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 1.166 1.921 10.436 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 1.544 0.438 15.696 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 1.958 1.726 -8.402 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 -1.050 38.721 -14.133 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 1.914 -3.782 -19.105 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 -3.074 0.569 -3.395 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 -2.098 2.751 5.030 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 -12.087 -1.159 -4.657 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 4.353 6.689 -3.852 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 -12.105 -13.341 -6.245 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 -2.507 -3.459 -3.786 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 2.724 -3.222 1.864 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 0.852 6.509 -1.831 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 10.291 -4.269 -1.500 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 -3.198 -1.459 2.654 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 -0.034 -1.502 0.218 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 -6.893 0.031 0.819 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 0.841 5.645 1.017 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 -2.793 6.230 -3.091 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 -6.148 -4.515 -0.013 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 -1.774 1.709 -5.980 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 -12.497 3.037 -3.337 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 30.527 15.126 -2.366 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 5.531 0.303 1.052 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 -18.300 -2.989 6.436 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 -23.845 1.031 -16.682 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 -2.220 -1.406 4.918 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 6.634 -6.670 14.440 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 6.709 -3.221 -2.338 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 -3.050 -4.010 -1.653 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 4.604 -8.181 -0.709 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 10.314 -19.060 5.428 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 0.043 -3.056 2.383 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 -18.503 10.270 4.446 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 -32.880 -15.733 -24.280 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 5.316 -6.592 -7.399 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 -6.373 14.537 -20.153 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 11.423 12.625 30.577 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 -0.241 -2.197 -2.453 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 -7.762 4.271 -3.908 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 -5.303 -6.251 -5.929 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 5.082 -5.569 -6.680 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 9.663 -13.641 -0.675 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 4.845 -0.510 3.357 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 2.850 -3.203 3.286 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 27.397 -13.312 -2.785 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 -1.648 -9.214 -15.361 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 -0.947 -3.288 2.946 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 -3.932 -1.768 -10.219 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 -1.970 -5.975 -1.157 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 2.282 -0.528 -0.245 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 -7.318 5.581 -10.841 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 4.372 1.915 1.665 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 5.288 6.867 7.618 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 9.552 -1.138 12.453 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 -3.607 -2.228 11.210 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 0.795 6.075 0.380 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 -3.336 5.928 -14.034 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 -18.421 -16.916 12.250 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 5.467 -12.530 0.572 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 11.890 -18.009 -6.518 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 4.064 -7.505 13.667 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 -0.383 5.132 -2.186 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 13.611 7.463 5.333 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 4.460 10.693 -9.352 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 0.168 -2.078 -3.666 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 -15.310 -15.679 26.054 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 23.739 -13.727 7.116 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 -0.639 3.303 7.980 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 -11.855 -15.612 10.909 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 5.492 3.366 -7.313 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 5.403 -0.203 -1.873 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 5.777 5.739 -0.260 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 4.063 1.552 0.349 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 -5.510 -1.992 -3.902 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 7.643 14.131 -2.323 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 -10.820 -6.452 -20.102 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 3.385 5.601 -1.500 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 4.525 6.151 -5.148 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 -0.710 6.835 -7.956 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 -2.176 4.965 1.082 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 0.594 1.412 -15.247 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 -7.464 18.508 11.467 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 0.883 -0.490 0.980 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 7.576 17.997 -10.805 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 17.456 -12.741 5.571 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 4.355 0.050 -3.571 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 9.007 -16.287 -5.874 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 -7.926 8.098 -18.171 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 2.062 -6.374 -0.632 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 -19.224 -6.536 -5.421 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 18.811 8.039 5.700 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 -3.974 -2.599 1.211 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 -15.545 -19.674 28.678 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 3.111 -18.122 -13.420 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 -0.090 -2.110 -4.815 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 -5.159 -7.558 -5.290 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 -1.596 -8.195 1.647 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 -0.758 -2.262 2.904 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 -31.387 -32.268 17.092 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 -23.671 2.388 -19.131 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 5.154 4.078 -1.753 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 2.528 13.751 10.152 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 -1.885 2.049 -1.514 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 -3.987 1.619 -0.768 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 -16.272 -1.254 -4.107 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 -7.223 1.243 -2.516 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 4.292 1.353 3.118 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 1.660 8.583 -1.927 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 2.942 -9.712 5.232 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 -2.629 -10.985 0.669 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 -1.256 -15.841 2.569 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 1.502 -18.072 -15.188 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 -5.045 2.412 -8.572 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 2.217 22.970 -5.787 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 -9.768 -4.782 -14.028 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 7.772 3.708 3.491 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 -8.230 -9.138 -1.946 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 9.837 7.794 3.354 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 -0.326 -1.116 4.821 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 12.562 -12.514 -6.241 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 2.774 14.405 -2.208 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 5.611 0.171 4.920 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 -28.098 2.350 -41.103 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 -1.864 -15.416 18.966 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 -5.855 -0.970 -0.681 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 0.180 7.579 0.843 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 12.629 4.677 9.952 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 -6.927 -2.337 -11.529 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 -8.372 -7.536 -22.831 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 3.041 -29.229 1.854 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 -2.123 0.588 -4.252 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 -2.591 -3.435 -6.990 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 3.109 24.951 9.544 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 5.601 -2.873 5.190 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 16.189 -17.151 -7.572 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 11.279 1.326 14.423 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 6.967 -2.111 1.968 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 -1.181 -2.233 5.328 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 9.896 -0.067 -3.132 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 -1.198 -7.699 3.549 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 4.516 -2.330 -6.932 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 2.158 14.898 -5.418 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 -2.720 -2.127 -0.023 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 8.607 5.684 -2.349 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 -0.876 -15.766 -4.214 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 -0.233 -0.490 -7.737 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 14.165 41.021 -4.607 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 -8.933 23.542 -9.895 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 -3.738 -5.178 6.129 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 -1.961 -1.443 5.851 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 -22.858 -3.361 19.800 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 -6.501 10.252 5.234 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 1.633 3.846 7.959 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 0.904 34.836 -1.924 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 -3.415 -16.435 -2.434 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 -8.522 -11.040 0.922 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 4.740 35.686 -10.157 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 2.045 -0.397 -0.119 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 9.510 -2.493 -0.801 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 -9.216 9.043 -18.574 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 -0.877 -2.666 1.013 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 15.180 -4.492 7.031 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 -10.269 10.302 2.341 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 -2.671 0.162 2.068 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 -1.643 7.401 8.005 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 -12.262 -3.260 4.256 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 4.177 -5.340 3.045 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 18.930 15.105 17.450 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 0.564 8.793 10.543 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 -8.264 0.371 -1.288 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 -10.402 -22.057 -7.556 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 -8.601 9.207 4.037 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 -3.267 0.292 -1.113 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 16.672 2.882 9.119 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 -13.421 7.861 9.409 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 -4.090 -8.933 6.819 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 -10.419 0.598 -15.447 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 14.066 8.336 8.877 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 -3.116 -1.086 1.358 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 -4.898 -0.702 2.054 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 2.608 -2.784 -2.506 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 0.435 -3.317 -4.727 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 -3.955 6.177 -6.453 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 5.971 -11.996 0.371 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 -2.821 -0.371 -0.059 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 -13.824 7.219 3.802 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 -7.958 -10.074 -10.068 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 -3.855 -3.174 -6.853 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 -2.175 2.846 -6.960 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 7.796 -6.953 4.356 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 -0.297 -8.570 -6.774 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 18.118 11.824 -9.193 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 -10.111 -17.135 17.436 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 -8.570 -5.139 -5.692 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 -10.847 -4.417 -6.634 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 -4.216 -0.106 -6.053 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 -9.403 -0.555 0.468 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 -8.594 -7.708 10.806 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 -9.040 5.096 -2.858 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 0.864 2.192 8.015 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 -35.668 -7.923 -5.675 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 19.154 -43.574 7.702 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 1.198 4.983 -1.512 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 -19.968 3.779 48.121 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 8.954 -2.334 3.684 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 -2.131 -3.010 -1.054 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 8.220 -9.741 15.309 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 -8.349 -12.425 1.086 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 2.519 4.658 3.071 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 15.992 23.366 13.675 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 -2.000 7.952 28.095 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 1.434 -4.698 -4.776 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 11.777 -8.997 -16.411 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 7.381 -6.859 -10.636 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 3.008 -2.398 -11.466 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 -4.288 -4.594 -18.597 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 21.217 9.301 -1.865 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 2.744 9.174 8.793 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 9.391 1.975 -4.101 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 -1.448 9.502 7.755 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 2.231 -5.180 7.318 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 34.623 14.092 25.834 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 -6.990 17.423 -8.187 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 -5.038 -2.760 -1.027 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 2.396 22.222 15.401 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 -17.945 4.920 -29.734 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 3.566 2.889 -1.722 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 2.823 15.932 1.283 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 -9.265 -7.797 3.419 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 5.181 -3.275 0.235 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 -7.740 0.163 9.512 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 16.092 2.477 18.394 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 -4.334 -2.381 -0.322 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 -17.639 -2.087 -14.156 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 7.484 -8.774 -9.320 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 2.041 4.365 1.193 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 -23.783 18.808 -4.199 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 -15.715 -6.311 7.786 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 -4.328 2.879 0.045 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 1.857 7.829 -5.915 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 -7.418 -0.214 9.039 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 -0.374 -2.188 2.337 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 -15.534 13.135 -18.244 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 2.924 -15.804 -8.178 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 -1.860 0.929 6.985 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 21.158 16.496 7.651 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 23.335 10.200 21.761 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 -0.760 0.648 0.008 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 -18.947 0.759 -8.833 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 1.734 4.835 4.983 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 -0.752 1.713 -4.564 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 4.430 -21.726 -16.318 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 -1.889 6.891 -0.393 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 -7.161 -2.482 -0.866 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 -6.119 -2.845 4.033 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 5.732 -19.363 8.935 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 2.710 3.355 6.558 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 -10.770 5.952 -6.662 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 7.148 -4.583 7.198 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 6.533 -4.306 5.139 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 -13.107 15.082 15.438 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 9.150 -11.118 13.025 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 -2.349 -5.834 -0.213 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 2.158 -22.267 8.450 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 -20.616 -12.113 -3.119 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 -3.631 2.122 0.711 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 0.872 -11.737 5.747 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 -8.961 5.977 14.821 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 -0.623 6.292 2.803 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 4.074 -11.722 11.353 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 -6.290 -11.109 -2.405 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 -3.016 -0.087 -0.123 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 0.945 31.378 2.762 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 7.651 -9.264 -9.119 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 0.191 2.060 -7.479 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 11.661 -8.497 14.526 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 0.628 30.528 -14.945 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 -6.517 -1.992 5.088 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 -21.135 27.783 -8.321 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 -18.466 -29.208 -17.239 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 1.230 7.072 -0.533 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 -0.385 5.658 1.977 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 0.308 6.239 0.691 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 2.796 11.189 -5.020 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 -0.701 16.029 -1.080 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 2.347 2.603 -10.310 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 -5.297 4.874 6.690 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 -7.828 -15.108 18.593 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 11.389 6.387 -22.221 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 2.179 -4.093 1.329 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 4.288 2.000 -34.929 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 15.743 -22.949 6.196 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 -0.750 3.532 2.523 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 -32.894 -5.240 -6.650 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 -7.503 -2.300 11.273 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 7.221 11.291 0.265 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 -1.166 5.668 -5.655 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 -15.936 -5.860 -5.262 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 0.464 1.255 0.665 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 17.228 8.718 0.456 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 -0.778 9.695 -4.489 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 2.610 0.885 -0.650 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 2.513 -25.755 17.216 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 0.157 5.320 -6.169 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 0.827 -2.342 -0.545 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 8.761 5.893 12.014 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 11.788 3.166 4.145 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 1.367 5.758 -2.983 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 0.498 11.857 3.831 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 3.706 -1.006 -13.383 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 -1.076 3.380 -2.406 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 -0.271 8.657 5.573 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 1.344 25.569 14.137 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 1.578 -0.889 -2.975 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 -29.411 -4.240 -15.314 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 -1.495 -8.805 -1.536 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 5.410 -4.080 0.105 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 32.354 -21.709 -12.070 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 -12.885 -33.585 -0.984 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 -7.834 -3.475 2.328 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 -5.790 5.088 -12.107 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 -0.392 -0.811 -2.848 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 -1.142 -6.001 -1.456 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 0.004 -18.594 -11.305 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 -11.800 11.822 28.920 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 -1.903 2.872 8.229 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 28.020 -1.267 3.439 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 -10.327 21.151 -10.148 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 4.048 4.632 4.325 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 -10.033 -19.986 -0.897 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 39.185 -7.293 24.846 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 0.000 0.662 -0.987 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 -1.254 -10.313 -10.095 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 3.117 -8.348 -9.518 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 3.037 -0.711 3.175 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 -2.248 -7.212 -11.393 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 -11.195 -2.406 13.545 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 2.630 -0.238 2.410 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 0.321 -15.467 -3.342 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 3.007 -14.122 -9.351 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 0.430 -4.580 1.523 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 -3.648 14.013 16.053 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 -2.048 -10.229 -25.138 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 1.697 -3.247 -1.508 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 -7.231 18.470 -35.557 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 4.622 -20.141 19.797 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 -3.673 -1.226 0.117 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 -10.491 -2.722 -12.421 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 5.645 11.875 -7.304 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 0.620 2.758 6.065 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 17.923 9.677 16.965 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 -16.811 -4.375 2.300 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 9.842 3.547 5.364 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 5.772 1.406 1.706 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 1.468 2.439 -0.135 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 -3.740 -2.832 -0.552 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 5.763 -17.161 -1.482 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 -14.159 -7.291 8.320 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 -1.507 -2.646 -0.334 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 14.968 7.470 19.979 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 9.550 6.135 17.151 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 0.424 6.849 -0.877 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 19.437 -19.953 -17.823 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 5.491 -5.094 -15.034 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 -5.788 0.112 -9.333 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 9.337 -39.114 5.984 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 4.809 6.123 -7.073 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 1.066 2.786 0.512 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 -5.383 -0.770 -4.222 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 -2.492 -2.311 -9.118 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 -1.491 5.391 -2.976 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 -9.286 0.806 -23.160 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 -4.461 4.291 -3.285 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 -1.076 -3.332 3.877 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 9.630 0.108 15.720 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 17.245 -10.399 2.428 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 -4.477 0.766 -1.964 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 -1.057 17.434 -23.080 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 -6.237 14.326 13.474 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 -3.425 2.291 -4.515 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 10.296 6.290 -2.885 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 9.611 -4.408 0.713 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 -1.096 6.185 2.007 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 -12.899 13.957 3.171 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 -5.012 -7.796 2.881 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 3.140 -5.670 2.550 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 4.333 -7.988 1.363 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 6.014 -1.602 1.297 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 -0.993 -0.691 -9.547 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 11.319 4.278 10.094 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 12.622 -14.843 -34.699 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 -7.297 5.658 -6.408 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 1.746 -16.858 -7.735 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 -17.819 -8.681 -20.049 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 2.310 -2.234 -1.743 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 9.113 -1.825 -5.637 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 -1.236 3.238 -0.891 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 2.675 6.108 4.523 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 36.843 6.585 -0.177 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 14.021 -19.224 -9.630 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 -5.023 -0.593 1.944 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 -26.884 15.397 4.389 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 8.332 -12.473 -0.906 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 1.794 0.170 0.422 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 1.346 -5.685 -11.170 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 13.010 -0.253 6.260 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 5.820 -1.688 3.568 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 6.295 -4.665 1.770 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 12.555 -2.673 28.923 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 6.877 0.553 -2.930 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 1.335 14.621 -13.541 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 16.660 -2.680 -20.969 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 0.383 3.057 -0.387 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 12.789 3.426 8.046 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 2.846 9.189 -6.159 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 1.388 7.188 -1.021 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 -9.715 10.863 -2.649 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 7.723 17.007 -8.587 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 -1.628 1.545 0.758 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 -7.029 2.346 3.961 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 6.492 4.872 5.775 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 -4.185 -4.164 0.358 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 0.189 4.210 14.173 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 -17.493 -0.753 -2.447 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 2.509 6.257 -2.474 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 2.123 -8.705 -5.082 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 4.329 29.036 10.398 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 -4.307 -2.853 3.616 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 -5.551 -10.203 1.659 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 -4.585 1.109 4.216 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 5.297 3.795 0.892 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 -1.456 18.138 8.370 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 -3.532 -5.522 7.864 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 0.636 8.173 -0.722 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 -30.962 -2.066 10.029 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 15.256 -15.754 -9.387 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 5.678 7.578 0.272 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 -3.182 4.484 0.244 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 -4.821 25.818 -9.452 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 0.461 -8.371 -0.716 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 22.684 5.767 5.145 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 -7.922 -5.035 -7.864 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 3.426 3.719 1.637 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 -2.512 -14.250 -2.284 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 14.880 6.751 -0.056 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 7.943 -3.296 -0.863 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 7.263 2.819 8.086 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 -0.630 -8.666 -6.103 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 -3.700 -8.840 -0.090 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 -6.025 0.218 7.913 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 -4.073 21.222 16.040 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 5.004 4.874 2.827 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 -5.548 10.034 9.332 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 5.724 -7.585 7.462 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 -0.839 5.177 -8.529 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 -10.859 1.030 4.369 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 -4.496 1.494 -0.664 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 1.110 -1.321 -3.852 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 0.707 -9.216 1.322 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 3.671 -17.952 11.676 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 1.032 -7.130 -6.109 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 1.695 8.869 -6.035 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 1.390 4.830 -4.859 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 0.323 1.185 -4.334 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 0.812 -5.087 -6.584 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 -7.958 9.294 -7.233 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 -4.401 0.469 -0.278 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 5.921 28.072 0.813 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 -5.716 -5.931 -31.440 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 -2.276 -2.825 3.574 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 -0.641 4.166 5.464 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 16.355 -1.616 13.385 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 -2.981 -0.993 0.692 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 2.824 3.057 2.583 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 -8.753 5.227 -9.512 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 10.825 3.857 -4.818 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 6.548 16.563 -16.040 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 13.772 0.047 1.633 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 -2.261 -3.451 0.132 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 -13.352 3.294 19.950 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 7.597 9.582 6.450 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 -1.132 0.286 -4.753 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 -1.579 4.396 -8.258 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 -1.598 8.438 -6.327 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 -0.386 -2.256 -1.990 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 0.809 -4.520 -16.176 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 -19.090 17.501 -11.085 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 4.094 -0.619 -2.686 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 12.057 -10.892 -21.385 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 2.666 -7.596 9.931 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 -0.437 -3.121 -4.440 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 -2.997 -6.809 -8.672 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 11.161 18.279 9.627 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 -1.058 -2.239 -5.675 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 7.525 3.710 -10.797 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 -1.975 -2.053 -7.880 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 0.047 -3.261 0.791 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 -7.472 4.879 -5.760 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 3.915 -16.022 0.456 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 -4.349 -3.003 -2.434 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 1.719 4.749 -9.622 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 0.950 -12.684 -17.457 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 -1.833 2.259 0.705 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 18.806 -19.295 -56.664 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 -3.267 12.778 7.931 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 -2.527 -5.502 0.927 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 -6.576 3.602 -32.010 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 4.845 -9.754 23.776 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 -1.168 -4.117 0.360 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 16.270 -3.800 15.645 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 -21.706 -0.894 11.925 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 1.389 -8.207 -0.473 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 0.182 -14.018 -10.028 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 1.058 -18.468 -16.133 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 5.549 -3.831 -2.636 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 -5.580 -10.820 3.485 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 -19.120 2.708 -5.190 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 -6.861 -1.263 -3.621 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 -3.382 -13.509 2.760 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 0.524 4.183 -4.578 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 5.801 0.338 0.957 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 3.512 1.239 1.825 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 -0.695 19.363 12.343 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 2.832 0.225 -0.372 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 0.808 -41.954 4.233 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 2.719 23.647 -3.221 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 -3.036 -2.301 2.049 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 5.761 2.549 2.493 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 1.241 8.081 12.058 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 4.216 -1.125 3.330 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 20.332 -7.750 16.315 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 -7.980 -13.802 10.476 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 1.728 5.001 -0.156 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 8.382 6.288 -12.714 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 6.407 -24.100 37.344 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 -0.752 2.734 2.899 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 -14.326 15.218 11.886 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 -4.245 -2.597 12.631 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 7.229 3.689 -5.050 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 19.371 -6.887 -7.792 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 16.004 -4.149 -6.445 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 -5.380 4.722 -1.560 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 -8.369 0.372 3.982 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 -3.819 -0.026 -10.717 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 6.052 0.245 0.834 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 7.671 6.601 8.653 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 -4.731 -4.701 -5.487 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 4.525 -4.095 -3.748 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 -1.762 -19.539 9.357 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 -14.449 -5.689 0.611 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 1.022 4.461 -0.874 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 -6.303 -5.899 -2.078 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 4.104 -11.063 8.324 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 -0.251 -4.152 -0.758 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 7.609 -14.646 9.488 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 12.481 -16.747 12.348 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 1.858 5.219 2.159 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 7.402 -3.299 -13.850 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 6.159 8.551 2.504 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 -2.846 -1.533 -3.010 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 -12.697 -16.301 -31.214 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 -3.842 7.400 1.394 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 -2.706 -2.356 -4.394 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 -6.595 6.499 -21.793 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 -1.521 -4.707 1.457 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 -1.184 -6.989 3.594 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 -0.688 -24.072 -0.912 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 -5.335 5.880 3.645 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 -4.028 7.250 -1.570 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 1.461 -7.667 -7.992 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 -10.383 21.015 11.646 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 2.575 -0.209 -1.812 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 -2.307 -6.700 10.222 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 6.554 -11.953 -9.870 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 -3.765 -2.353 3.437 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 9.326 -10.007 -3.053 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 3.108 -6.625 -0.720 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 5.006 -4.910 4.330 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 11.192 9.071 -0.752 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 6.637 12.836 0.685 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 -1.243 -3.608 -5.290 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 -17.026 -4.684 -9.149 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 0.620 -14.449 -3.687 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 -2.060 0.252 -8.296 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 22.461 15.510 -0.676 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 -8.953 -6.966 -18.982 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 -3.971 -1.190 0.312 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 9.229 2.586 -10.218 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 16.858 -13.058 11.170 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 2.413 -2.639 -10.100 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 -16.494 0.746 -0.587 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 0.560 0.221 -4.757 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 -4.012 0.853 -6.008 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 26.745 -31.930 5.250 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 -19.876 29.139 -2.832 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 -1.307 -6.486 -1.589 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 -12.035 -10.547 7.269 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 -25.959 5.097 -12.341 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 1.240 -1.024 -1.464 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 12.621 -20.216 -17.738 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 22.840 15.589 7.588 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 1.682 0.109 4.026 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 -10.454 -14.369 -0.546 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 12.757 1.210 -14.531 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 -0.007 -3.712 -1.754 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 -5.775 -9.587 -6.989 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 1.554 6.161 9.617 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 -4.210 -10.785 -5.247 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 5.713 -11.239 -13.264 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 -5.213 -10.575 -5.344 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 -5.948 0.780 1.002 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 -9.678 7.320 2.756 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 -4.062 -1.596 -0.094 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 -5.756 1.975 1.150 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 3.219 -1.647 5.913 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 13.085 -14.628 18.517 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 -5.779 -2.116 0.353 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 -14.189 -3.620 7.710 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 -8.407 10.491 -3.955 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 0.163 -1.067 -5.068 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 16.542 -7.713 -4.422 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 -16.375 -15.331 10.786 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 1.945 -3.885 -7.211 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 -1.026 -7.172 -0.282 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 -6.703 -0.308 -10.831 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 3.700 -1.563 3.883 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 0.671 10.227 1.982 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 1.625 1.597 5.223 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 -1.630 -2.367 4.893 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 2.827 19.466 -7.575 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 -7.832 3.645 -0.746 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 -1.129 1.067 5.058 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 -4.280 11.428 7.653 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 -1.141 -0.489 -1.775 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 -5.639 4.451 1.145 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 -12.592 6.319 5.815 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 -10.218 3.498 1.139 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 -3.075 -5.547 2.321 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 -7.717 -14.772 -0.028 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 2.285 -6.024 10.926 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 -1.557 3.061 0.227 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 -7.964 8.572 29.910 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 22.487 3.343 -1.367 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 3.632 2.831 -4.144 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 -8.036 2.923 -4.256 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 14.347 2.849 -3.813 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 -6.268 -1.724 1.863 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 17.681 -10.229 6.501 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 -7.272 -23.036 3.992 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 2.652 5.790 -3.050 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 -13.748 8.041 -17.798 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 43.135 -4.697 21.569 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 -6.355 5.024 1.061 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 -3.920 9.497 -2.289 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 -2.864 16.983 -4.716 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 -3.179 3.979 -4.257 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 -13.184 13.574 -17.670 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 15.946 -9.629 -2.765 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 -6.671 -1.850 -1.552 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 -20.012 -5.690 -19.922 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 -14.033 13.429 13.114 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 8.599 7.383 -3.666 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 15.053 7.036 6.826 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 0.023 1.255 -10.226 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 0.667 1.216 2.081 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 -17.617 15.973 -4.088 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 25.076 -16.641 8.480 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 -1.544 -1.777 5.577 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 -1.112 -2.513 5.436 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 -5.565 5.151 3.623 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 -2.778 -0.700 6.318 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 -7.952 -0.150 5.165 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 20.284 -2.381 10.361 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 0.127 -2.997 -2.770 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 9.881 -0.591 -32.375 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 -26.097 -25.665 -2.234 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 0.839 1.422 -1.572 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 -6.281 -22.206 -8.965 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 -4.805 -3.738 -10.868 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 -0.742 -7.460 -5.703 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 -4.841 -2.027 16.857 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 -12.722 -23.144 -3.055 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 -0.270 1.502 9.618 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 7.573 17.036 9.655 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 10.893 2.766 -8.903 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 -1.494 10.640 -6.661 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 -17.963 -15.643 -13.421 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 3.711 6.275 14.259 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 2.586 -3.804 -1.041 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 1.816 10.879 10.197 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 -20.365 -0.675 -7.578 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 0.403 0.391 -3.120 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 5.758 4.990 -7.416 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 -3.412 -3.153 -1.745 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 2.154 8.046 1.644 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 -11.590 -14.252 5.226 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 4.279 24.322 9.355 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 1.602 -2.429 -3.485 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 5.117 8.349 0.739 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 -0.052 3.537 -15.931 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 -6.111 0.630 -4.200 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 14.105 19.068 -14.327 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 6.392 -13.227 3.540 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 8.402 -2.455 -0.905 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 -1.850 -8.881 3.043 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 -7.106 -12.009 12.624 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 -1.556 -2.914 0.881 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 -7.992 2.319 -5.268 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 3.351 5.103 -7.987 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 -0.778 6.844 -6.445 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 -19.554 -9.820 4.039 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 -0.405 11.378 8.222 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 -3.374 0.295 -4.916 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 7.375 -27.199 -13.647 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 -2.396 -2.030 -6.176 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 -5.547 -6.277 -8.993 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 -9.220 -9.469 -8.197 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 -4.111 -5.788 -5.132 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 2.631 -0.670 -3.183 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 -6.570 -0.450 5.316 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 3.465 -2.785 -3.232 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 -0.095 1.162 3.540 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 7.455 17.415 -9.684 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 -6.523 -13.526 -5.221 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 -10.384 -0.946 1.355 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 9.166 -7.512 0.360 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 13.568 -5.883 1.013 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 -3.321 -5.855 0.098 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 0.110 4.615 3.718 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 0.498 6.113 12.122 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 0.881 2.442 -2.569 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 5.636 -2.953 -15.014 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 14.155 -15.055 24.359 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 2.149 -2.344 1.580 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 -18.126 -9.325 -3.659 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 -14.576 -7.334 19.573 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 4.317 3.136 0.034 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 -0.053 -0.842 4.673 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 12.928 -10.559 -18.594 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 -8.993 -0.132 3.855 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 6.456 0.593 25.511 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 -34.306 7.453 7.306 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 10.358 0.425 -0.870 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 -0.920 0.056 -0.135 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 1.810 -15.296 -5.800 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 -0.361 -1.747 -0.223 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 -2.166 -12.713 6.888 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 3.374 9.439 6.054 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 1.442 -5.080 -1.099 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 9.646 -9.611 -6.822 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 -1.941 -2.263 0.867 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 4.530 3.822 -5.540 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 6.905 -0.966 6.403 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 7.347 0.423 -6.020 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 -3.045 -2.838 -7.749 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 -9.662 6.465 11.921 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 -13.432 -10.566 2.530 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 2.722 6.016 -7.441 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 4.673 24.259 0.264 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 5.454 12.230 -25.035 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 5.871 -3.816 14.274 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 -5.619 -0.107 11.876 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 22.585 5.625 15.194 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 1.548 2.377 -3.464 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 32.484 9.966 -2.731 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 1.342 8.377 -22.694 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 3.854 -9.811 0.221 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 8.449 2.502 -12.415 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 -7.146 -19.515 -8.602 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 2.384 -0.076 -1.054 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 1.771 5.938 6.192 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 -0.635 3.543 -25.750 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 0.737 0.558 -3.239 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 -5.554 -1.314 -0.394 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 5.296 5.192 -5.909 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 4.586 0.690 3.297 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 7.190 -1.326 3.345 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 2.598 -12.937 10.498 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 2.427 -3.335 -1.761 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 10.468 -10.687 22.653 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 -3.669 -19.599 -29.077 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 3.915 2.427 -1.108 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 -9.310 0.852 -6.654 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 -11.823 5.610 -13.899 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 -0.081 -0.084 3.911 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 13.927 0.331 1.390 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 4.894 5.927 15.785 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 -2.559 4.049 5.671 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 13.063 9.275 8.851 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 -1.948 10.973 -8.123 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 -2.106 -4.751 -10.195 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 -1.514 -20.634 3.792 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 -4.046 -7.668 -3.699 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 1.649 -0.695 3.704 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 -9.875 -3.214 -7.096 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 15.775 -10.112 -8.952 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 -5.664 -0.439 -2.694 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 -18.533 -7.112 -6.495 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 3.949 3.632 -20.355 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 7.881 5.227 -1.438 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 16.689 20.617 -11.089 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 -0.412 15.365 -18.409 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 -4.623 -5.254 -0.346 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 -4.108 -4.149 2.400 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 -9.741 4.713 12.541 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 1.850 0.132 -0.404 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 1.586 -1.041 2.191 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 -0.255 0.573 1.379 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 -3.003 -3.496 10.069 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 -7.123 -7.019 19.351 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 1.476 2.189 -0.906 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 0.830 1.273 -0.216 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 14.617 31.326 4.222 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 -9.580 -13.355 0.494 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 0.215 -1.030 4.544 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 -23.191 -26.725 -1.305 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 10.960 10.204 -23.332 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 0.441 9.591 4.118 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 16.389 6.995 2.738 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 -3.766 13.994 19.406 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 -0.952 1.812 -3.269 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 9.907 -1.139 18.234 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 -1.449 -25.109 -15.842 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 1.215 -2.014 -4.538 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 11.783 -7.258 -4.796 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 2.000 6.579 3.432 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 -0.348 3.495 -5.333 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 2.183 2.302 26.838 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 -2.381 20.574 -26.968 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 0.160 -2.962 0.048 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 -7.187 -8.363 -9.601 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 -1.595 6.795 29.000 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 -1.095 3.836 -7.449 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 -12.610 -7.446 8.095 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 -10.813 0.114 -2.155 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 0.575 5.699 -6.114 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 1.520 4.273 -2.790 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 1.360 5.588 14.346 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 -7.480 1.152 -2.747 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 -3.325 -10.684 -12.960 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 -5.564 1.103 8.871 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 -4.469 2.693 -6.683 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 -25.905 -17.100 -15.997 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 4.981 -19.335 -33.896 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 0.741 6.945 -7.157 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 3.969 -14.936 2.818 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 -4.707 13.516 19.651 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 4.915 0.875 2.878 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 8.364 -28.816 -6.998 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 -8.073 16.108 -21.253 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 1.622 -0.024 -3.378 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 35.574 -6.359 -1.563 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 -13.506 -5.625 -10.820 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 -0.871 9.412 1.979 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 1.391 -0.099 12.185 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 23.428 0.282 3.457 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 2.243 0.732 4.340 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 1.528 1.889 4.302 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 -3.607 4.540 -10.916 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 -4.252 -0.490 0.972 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 -14.589 19.188 17.194 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 -3.818 -0.911 1.022 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 0.229 -4.390 -4.011 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 27.179 -17.780 -22.469 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 -14.762 7.896 -12.258 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 -1.448 -0.831 -7.485 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 -1.722 0.961 -4.572 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 4.113 -6.424 -3.818 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 -4.621 -4.422 0.904 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 -2.777 -3.509 2.607 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 7.410 17.057 -2.797 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 -2.216 1.463 -1.140 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 -6.329 18.002 -22.372 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 -6.471 -9.969 -2.799 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 -2.406 -7.309 5.127 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 -15.182 -3.588 4.537 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 2.384 1.250 -1.068 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 5.160 2.502 -3.379 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 -12.453 34.550 8.908 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 0.158 -11.681 -2.040 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 1.423 -4.986 3.518 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 -1.531 2.313 -11.789 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 0.953 6.752 -6.447 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 -2.740 5.205 -4.959 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 13.115 -2.009 -0.988 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 -14.466 29.194 -19.109 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 -4.547 -0.503 5.932 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 -18.915 15.102 17.095 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 -19.085 -19.372 -0.085 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 0.852 -2.062 4.899 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 -16.914 -6.844 4.409 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 0.003 -4.749 7.001 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 7.692 -5.715 3.278 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 -4.353 -23.726 0.845 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 22.603 -3.673 -11.810 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 -3.696 4.956 2.249 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 8.161 -16.858 32.500 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 -23.332 15.276 -16.552 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 -4.084 4.828 1.457 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 13.519 25.467 24.376 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 -30.266 -8.378 -11.021 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 -3.110 -0.750 -0.587 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 -7.160 5.568 0.722 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 -0.731 -1.419 1.985 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 -3.310 -0.542 -1.243 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 8.875 0.007 -28.071 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 24.685 -13.992 -7.947 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 -4.706 -2.906 -0.605 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 9.675 -4.371 -6.259 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 4.159 -8.853 3.702 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 5.636 -3.608 -0.617 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 12.526 -1.469 -22.375 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 -0.841 10.399 17.141 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 6.373 7.755 0.743 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 27.932 25.368 -9.891 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 20.862 21.926 -1.662 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 -1.263 5.275 3.278 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 7.524 -1.427 4.031 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 -5.740 -0.597 -10.892 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 -3.657 -0.817 -3.712 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 -1.887 -5.207 -25.700 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 -0.184 -2.973 -10.038 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 -2.029 2.241 0.749 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 -23.587 -21.870 -7.094 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 -19.018 31.168 -3.779 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 -7.358 4.945 1.665 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 -9.034 -21.353 5.388 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 19.662 9.159 -5.917 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 2.533 -0.789 6.844 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 17.503 2.876 4.002 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 6.883 0.014 6.877 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 6.368 3.618 -7.289 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 11.235 -7.452 1.074 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 -4.647 0.169 -7.525 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 -1.131 3.176 -4.458 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 3.108 -3.853 -6.375 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 10.408 9.824 3.894 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 2.700 0.072 4.153 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 1.594 -17.089 -2.440 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 10.892 -1.259 -22.480 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 -4.997 1.299 1.037 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 -9.668 -21.282 13.106 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 -2.787 -22.663 9.695 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 9.103 3.174 -1.448 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 13.485 -22.656 -8.660 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 4.086 2.568 11.168 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 -0.542 1.375 4.000 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 -1.901 2.390 6.612 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 5.856 -1.534 -2.328 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 6.103 3.181 -6.419 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 10.055 -8.583 10.588 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 -12.803 -3.633 -13.803 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 -3.162 -1.996 3.126 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 17.142 -27.611 10.433 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 -8.093 -20.522 1.870 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 0.808 7.628 2.560 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 0.729 8.526 4.522 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 0.780 7.438 3.382 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 -6.557 -1.313 -2.196 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 -6.341 -1.480 0.501 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 -1.996 -2.443 3.689 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 2.371 -6.943 -0.375 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 26.981 22.517 10.057 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 8.219 0.049 -13.350 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 1.517 2.316 -0.175 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 8.786 -22.869 -14.982 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 16.871 -10.330 -3.257 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 -0.612 0.088 3.808 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 1.345 -23.671 -4.150 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 -9.863 11.187 -16.865 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 1.590 5.094 -2.907 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 -5.394 27.814 -23.505 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 -6.342 -1.570 24.175 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 2.923 3.321 1.928 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 -27.824 13.965 4.887 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 -1.738 6.625 -8.336 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 -9.784 -5.857 7.253 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 4.097 -11.864 5.561 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 -24.312 -4.272 26.023 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 6.666 6.017 8.253 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 -3.979 -5.354 -11.444 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 0.607 2.270 1.109 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 2.176 2.448 1.680 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 -12.343 5.091 0.402 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 2.952 -5.755 16.640 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 1.016 2.844 -1.214 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 2.786 10.878 5.752 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 -2.905 -5.137 9.717 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 -0.242 -4.175 -6.548 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 -13.754 2.192 -5.248 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 12.630 -10.378 -7.837 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 -2.075 1.955 -11.777 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 -3.770 26.120 8.103 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 -4.151 -24.911 -29.644 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 6.015 1.333 -2.311 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 -0.446 -16.148 -1.220 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 9.215 -2.017 -8.309 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 -6.649 -3.809 6.531 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 -6.429 -3.809 6.163 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 -8.374 -7.587 1.600 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 -0.989 2.724 -1.185 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 8.890 -1.544 29.560 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 3.943 45.645 4.774 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 -0.231 2.423 -6.490 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 10.934 4.224 15.579 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 -19.119 -10.825 -2.550 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 0.848 0.127 -0.079 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 6.827 -5.638 -1.387 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 -5.894 7.298 -0.421 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 -6.167 -0.292 -7.798 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 0.254 1.314 22.025 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 -25.505 -10.201 -27.925 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 3.638 3.376 1.434 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 13.346 -2.455 8.128 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 16.671 -5.067 11.572 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 4.601 2.646 -0.545 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 -18.763 -10.131 27.804 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 10.308 15.089 12.489 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 -0.029 -3.820 3.171 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 4.914 -1.900 -2.642 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 -5.920 -4.415 7.791 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 -3.173 4.759 -0.743 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 1.528 2.261 -3.063 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 -8.526 -6.953 -16.220 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 4.606 1.115 8.287 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 3.315 -6.972 1.155 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 28.442 -4.729 -4.190 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 0.887 -2.178 0.149 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 2.106 5.835 16.118 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 -22.119 -16.942 -31.990 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 -7.181 -4.555 3.749 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 -3.953 1.146 15.933 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 -12.041 -3.792 -17.124 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 -3.257 -3.406 2.824 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 -3.823 -2.253 -7.259 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 -6.946 -12.052 3.865 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 -4.525 0.403 -3.367 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 -26.532 -14.904 -11.894 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 -15.485 25.713 0.938 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 -4.157 -0.587 2.931 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 15.703 16.661 1.963 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 16.296 -11.004 36.708 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 3.828 -10.571 1.683 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 4.956 3.000 6.241 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 11.194 1.917 -4.688 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 9.123 -3.061 -3.530 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 17.067 -10.936 12.371 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 0.598 13.711 11.434 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 -5.570 -1.009 -1.407 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 -11.691 -11.069 -16.043 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 1.137 8.682 15.154 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 -1.194 -0.610 0.282 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 -6.347 -4.478 -17.045 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 -2.711 2.444 2.099 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 -6.070 2.432 0.682 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 -8.908 -4.092 -13.304 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 -5.310 1.117 -3.800 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 -1.130 -1.540 0.255 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 0.728 -3.961 4.950 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 -0.508 -0.968 -16.264 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 -3.867 5.388 -3.145 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 -4.490 12.002 0.062 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 -0.999 -14.844 -10.240 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 8.641 2.463 -7.425 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 13.693 1.157 -10.087 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 18.943 1.258 -22.700 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 -6.377 -4.074 -6.451 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 -17.909 -8.922 9.490 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 -4.909 -6.646 20.527 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 -2.487 5.364 -6.360 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 -5.945 -5.958 13.318 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 -24.853 10.123 -16.684 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 1.481 3.207 -2.705 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 -7.545 1.373 11.997 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 17.071 -35.498 -5.872 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 1.324 -3.269 8.055 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 3.805 12.949 17.041 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 25.978 23.682 6.066 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 -4.079 -1.380 0.986 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 -20.438 10.966 -19.134 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 -19.016 5.756 -12.763 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 -0.767 -3.017 7.885 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 -2.489 -4.939 7.424 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 -3.781 -2.465 11.861 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 -0.035 -5.219 -2.195 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 2.969 -12.014 -3.627 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 -6.966 10.236 -18.684 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 -1.719 10.259 -4.155 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 -9.018 -1.443 -15.012 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 -10.338 6.520 19.125 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 1.744 -3.603 -0.708 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 6.343 -4.115 13.843 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 -1.318 -7.267 -14.192 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 -0.131 8.805 4.864 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 16.748 -2.964 -11.234 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 -16.727 10.985 -3.248 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 6.029 -7.475 -7.346 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 5.623 -20.329 -7.785 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 5.448 -3.090 4.404 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 -6.038 1.828 4.645 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 -12.426 -19.779 6.325 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 -1.425 15.813 3.233 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 6.686 4.229 -6.042 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 2.283 4.425 -16.738 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 -0.855 4.246 -22.727 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 -1.950 -0.728 -4.403 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 16.519 -4.296 -17.033 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 -23.818 17.119 -15.215 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 2.937 -4.785 -6.872 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 25.093 -3.328 6.156 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 16.300 -5.515 0.501 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 -5.443 -7.223 -2.562 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 24.322 -10.910 -19.885 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 -13.044 24.358 -0.970 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 -0.587 2.678 3.728 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 1.672 22.468 21.386 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 -1.111 -9.925 23.150 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 3.294 4.712 2.843 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 -3.688 7.696 26.759 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 12.332 12.244 12.162 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 2.086 1.523 3.293 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 -9.961 16.392 22.704 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 -16.825 18.475 3.218 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 -1.067 3.764 1.098 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 -10.708 -8.989 -18.362 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 -6.124 -4.809 -0.116 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 2.117 0.630 2.185 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 0.450 0.943 2.269 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 -17.056 -10.429 -1.658 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 5.969 0.274 1.517 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 7.747 7.154 10.408 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 15.372 -9.158 -2.560 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 5.299 -2.653 1.444 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 5.337 -6.057 5.145 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 24.712 2.173 -14.789 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 4.306 1.250 0.611 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 -16.634 13.136 -5.483 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 5.911 -0.983 0.946 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 -5.873 -0.571 -9.015 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 7.580 -21.231 9.173 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 -13.194 10.325 -21.642 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 -0.307 -3.359 5.497 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 7.598 -14.431 -0.655 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 -1.473 -10.568 -3.795 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 -2.459 5.311 8.080 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 0.060 8.864 -3.773 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 4.631 -12.908 5.302 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 5.321 4.124 -5.467 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 6.529 -11.424 -15.078 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 -2.431 0.053 0.180 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 -4.256 3.475 2.124 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 24.599 -1.238 -12.963 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 -12.850 5.562 11.327 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 2.936 0.928 -5.899 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 7.776 1.273 -7.823 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 2.285 2.068 -1.398 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 -7.703 -3.049 4.891 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 -15.619 25.708 -0.093 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 7.379 2.126 29.810 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 3.515 2.437 -3.825 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 10.957 10.373 21.872 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 -4.363 -5.297 -23.884 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 0.959 -3.255 0.341 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 2.897 -5.523 -3.398 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 -8.000 -19.748 17.146 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 -1.142 3.133 -4.596 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 -12.708 16.240 11.694 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 -17.345 23.691 17.255 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 -0.826 3.374 -3.209 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 5.512 19.686 -12.281 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 3.832 -20.243 -2.233 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 2.755 -1.261 -4.435 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 4.391 -1.710 2.719 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 -7.288 -5.055 -29.659 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 -1.159 -4.900 -4.085 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 -5.896 -2.843 -7.947 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 8.179 -3.521 -14.514 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 2.180 4.740 -3.909 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 -14.862 1.190 16.968 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 -16.613 -5.230 -2.303 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 1.977 -6.675 0.812 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 28.920 6.111 16.931 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 -0.276 10.895 -27.740 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 -4.683 1.667 6.202 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 -7.483 8.328 10.798 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 -5.437 5.618 -2.439 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 2.194 0.539 -3.943 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 11.382 2.684 -4.100 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 -2.755 0.859 -20.246 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 -5.538 -1.651 -4.712 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 15.515 17.381 -1.447 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 7.433 -25.410 3.562 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 -6.770 4.097 -4.675 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 15.499 -5.700 -18.072 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 -24.814 9.234 2.507 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 3.188 -1.413 -5.784 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 9.733 6.292 -25.584 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 7.644 6.340 -5.780 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 1.837 -4.407 -5.977 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 -6.197 -2.754 -7.467 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 4.955 0.885 -13.837 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 5.998 5.629 -6.269 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 -1.633 9.400 -0.453 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 -3.250 4.717 4.019 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 2.494 0.046 4.527 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 -1.938 9.873 -0.646 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 3.867 2.257 -6.425 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 -1.291 1.025 9.624 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 1.072 4.286 5.924 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 -9.003 -1.415 16.836 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 6.816 -5.363 1.979 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 1.370 0.680 -11.177 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 -6.148 2.865 -29.268 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 6.328 3.867 -3.350 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 -15.785 3.406 -3.473 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 2.487 8.323 -6.266 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 -1.148 -3.839 -1.973 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 -0.412 6.002 2.777 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 -1.311 1.645 0.973 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 -0.087 -11.375 2.799 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 -9.632 1.870 16.957 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 22.109 -10.937 5.927 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 -3.554 -1.858 4.232 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 -5.515 -8.636 10.502 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 -2.629 -2.763 3.162 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 -0.335 -4.432 -1.684 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 -11.483 30.536 11.272 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 3.685 5.960 -0.956 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 2.467 2.237 1.937 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 8.394 9.823 2.260 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 2.502 0.427 -6.756 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 1.508 -4.732 1.338 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 1.947 -11.301 13.069 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 10.484 0.400 6.635 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 -1.618 0.677 4.018 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 -0.357 24.834 -0.372 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 14.042 -1.238 1.889 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 -6.268 6.227 0.139 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 -8.080 3.673 11.748 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 -8.489 7.276 -8.417 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 -7.842 -7.209 -8.112 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 4.338 4.548 -8.682 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 -6.800 0.906 -10.451 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 3.753 12.050 0.995 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 -13.531 13.322 2.852 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 5.872 -4.748 0.290 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 0.312 2.208 1.471 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 12.531 -11.806 8.843 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 -9.824 14.615 -4.382 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 -4.257 -1.468 3.658 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 17.479 18.295 -4.865 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 -3.634 -0.450 2.688 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 0.102 -5.249 -1.041 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 -17.960 -19.353 -9.400 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 5.035 -24.784 -3.346 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 -0.815 2.140 -1.443 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 -0.347 5.545 5.545 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 -0.717 2.418 -0.991 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 6.973 2.018 1.482 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 -2.504 -26.456 -7.382 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 38.617 15.784 2.229 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 -4.116 5.780 -6.586 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 -2.807 -24.293 -4.358 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 -23.593 13.765 -15.451 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 3.307 9.587 3.559 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 -5.140 17.820 14.966 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 9.483 13.029 4.471 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 -3.712 2.189 -2.249 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 -1.859 -1.555 -14.874 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 -6.256 -2.068 2.820 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 0.937 -5.132 -0.609 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 -0.454 -24.093 10.014 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 28.264 2.407 -3.814 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 -2.530 -4.508 5.290 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 -2.724 -4.069 5.858 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 -2.425 -3.913 5.064 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 8.626 9.442 1.137 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 -24.893 8.060 -0.131 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 4.382 11.397 -8.997 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 3.914 2.905 2.543 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 17.659 24.402 11.230 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 -11.074 5.233 -3.556 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 3.626 -4.980 -2.991 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 -14.621 -26.096 3.899 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 13.476 -3.046 -6.748 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 -1.733 9.032 3.911 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 -2.039 10.517 3.547 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 1.032 -10.788 37.182 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 4.628 6.901 9.716 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 34.769 -20.012 4.626 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 -7.328 17.405 11.647 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 -5.233 -6.262 0.662 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 15.677 -18.551 -4.049 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 -2.050 -4.255 -6.059 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 -0.919 6.136 2.471 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 7.586 -13.026 -0.294 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 10.743 0.352 14.125 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 2.360 3.077 -1.705 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 -6.109 26.189 5.991 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 -3.187 19.528 3.396 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 -2.763 -0.341 -0.745 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 -18.561 -4.746 -31.566 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 21.781 28.869 -3.980 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 5.044 -3.284 -0.719 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 4.120 6.170 -9.502 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 12.770 -0.830 6.805 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 -3.066 -3.422 -6.867 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 -11.735 -4.686 -10.307 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 -3.884 -3.158 -7.894 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 0.928 1.093 -4.382 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 15.608 -15.337 -11.626 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 22.172 17.016 7.493 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 -0.876 -5.455 -0.304 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 -22.153 22.029 -15.841 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 0.702 18.839 -6.039 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 0.633 0.333 0.410 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 -10.834 -1.437 -0.603 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 14.273 0.369 -3.105 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 -9.774 0.884 2.323 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 -22.811 3.610 8.098 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 9.928 -0.195 3.158 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 -2.084 4.987 1.306 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 4.063 15.626 4.743 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 6.276 9.414 -11.162 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 -3.362 7.778 5.489 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 -20.061 -1.692 -11.653 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 5.085 13.445 15.462 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 -0.432 -5.745 -4.112 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 -3.678 -1.468 -7.469 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 7.580 -22.262 2.067 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 3.533 1.414 0.559 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 10.943 16.665 -9.102 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 -10.646 12.970 13.349 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 1.923 14.130 5.656 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 4.616 2.746 0.727 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 -8.337 19.770 0.384 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 4.062 -4.187 4.760 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 1.368 7.823 17.967 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 -2.435 9.943 4.996 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 -1.014 -8.056 0.867 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 16.688 -13.757 9.695 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 10.531 33.983 9.050 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 -2.504 6.420 4.580 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 -9.587 1.009 -1.537 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 13.681 9.563 1.027 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 -0.233 -2.975 1.999 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 4.684 -16.353 7.986 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 5.630 17.508 -8.618 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 5.009 1.792 -0.328 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 6.564 2.642 2.443 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 -3.569 -11.164 -21.017 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 2.289 -2.022 -8.060 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 6.951 3.770 -10.014 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 -7.962 18.886 4.788 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 0.671 2.243 -1.830 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 9.285 43.509 -14.974 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 -9.774 16.959 28.388 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 -2.231 9.991 2.900 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 -6.411 21.881 9.463 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 -1.584 0.257 12.954 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 -0.889 -0.747 0.228 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 2.422 -11.349 -2.618 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 -0.914 -4.110 5.685 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 2.814 -3.564 1.273 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 9.322 -2.031 -3.380 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 16.211 -11.954 -1.730 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 1.593 1.175 -0.234 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 0.651 7.792 -9.871 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 -11.353 -2.567 -18.845 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 4.676 1.526 3.096 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 12.916 -27.270 -0.060 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 -21.917 -1.844 14.220 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 -0.769 -5.674 -9.807 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 -2.007 6.790 0.819 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 -2.150 -1.149 3.428 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 -0.864 1.631 4.872 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 -0.100 13.393 2.979 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 5.892 7.553 -1.559 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 -3.651 3.487 -0.926 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 5.075 9.145 -18.257 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 -0.501 0.132 15.948 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 1.496 -0.835 -8.363 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 0.818 -0.162 -10.871 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 0.014 -2.710 -0.215 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 -0.387 -0.265 3.311 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 11.655 -6.217 -30.243 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 9.809 -8.700 -26.836 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 0.270 -2.334 -2.844 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 1.342 3.973 6.863 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 -10.909 7.825 -9.390 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 8.164 -3.064 0.889 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 -10.418 10.060 -6.749 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 -3.883 -17.061 -5.708 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 -1.895 -0.284 -5.486 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 -6.474 6.647 -11.799 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 -3.174 5.617 -16.251 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 1.151 0.123 2.094 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 1.898 -2.787 20.673 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 23.126 37.632 22.358 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 -1.859 -6.762 -0.696 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 -0.149 -4.861 -12.751 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 5.327 -15.103 -5.064 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 0.666 1.467 3.199 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 -10.675 -15.675 -18.591 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 -15.535 -5.274 -12.347 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 4.578 1.377 0.762 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 -5.260 7.406 -21.627 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 18.643 -14.157 -16.005 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 -3.857 -1.861 -7.777 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 -14.719 -18.849 -7.911 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 -3.806 -8.464 -2.667 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 6.634 1.665 -0.540 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 -4.055 2.099 -0.568 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 8.020 -10.902 0.512 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 1.209 -4.426 1.813 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 -8.889 1.380 -1.055 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 -27.295 21.634 -12.783 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 -2.602 -5.482 9.904 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 -4.562 -2.770 9.440 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 -2.759 -7.186 17.870 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 -1.697 -2.038 -2.786 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 13.822 -4.976 -1.654 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 25.453 -21.397 -2.860 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 4.067 -2.357 -0.008 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 -6.814 -35.062 1.077 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 10.924 8.877 0.415 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 -0.653 -1.121 -2.832 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 8.037 -12.158 -0.500 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 6.492 0.249 14.309 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 -0.289 1.278 0.750 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 0.540 6.381 -5.954 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 10.020 -9.476 -2.226 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 -5.173 -1.982 -1.889 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 -6.414 4.582 -6.461 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 -9.167 -8.872 -1.246 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 -0.065 -0.793 3.392 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 2.853 2.830 5.021 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 -2.029 5.652 4.477 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 3.738 1.242 0.608 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 -8.471 9.934 11.302 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 3.080 14.298 -13.738 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 -1.005 -0.134 2.607 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 -5.477 -11.195 5.630 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 -7.548 -4.623 -0.267 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 -3.794 6.843 7.491 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 -8.927 8.361 0.164 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 7.016 -6.892 14.152 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 1.495 0.079 -0.323 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 3.645 -8.474 15.108 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 -5.058 -9.355 -9.374 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 3.832 -4.074 7.065 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 1.021 -15.386 -9.006 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 2.527 -2.556 6.090 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 -2.564 -2.683 -0.093 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 -10.801 -15.373 11.804 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 -2.294 8.982 0.415 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 -0.553 -1.338 3.654 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 -15.791 -14.509 -13.780 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 -8.681 17.188 12.967 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 7.198 -2.463 1.108 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 -17.594 21.936 -1.210 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 3.106 -7.584 4.796 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 3.647 4.245 5.258 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 -9.722 7.458 5.491 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 -7.327 -15.575 21.247 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 1.324 -3.531 -4.005 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 7.561 7.136 19.021 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 10.753 6.299 23.145 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 1.138 3.158 -0.030 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 6.672 8.946 -36.472 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 10.776 1.675 -5.470 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 -2.240 1.651 -4.119 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 9.540 1.627 -6.670 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 -6.445 -6.863 1.241 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 1.611 -1.953 -3.463 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 7.773 4.333 -3.813 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 9.075 -26.049 -4.252 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 -5.607 -5.993 -3.840 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 -17.486 13.957 43.543 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 -9.937 -2.807 1.062 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 5.461 -2.881 -4.609 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 -8.064 -20.885 8.888 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 -6.893 -6.536 9.048 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 -3.420 2.865 -5.855 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 1.531 -18.633 -10.725 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 -13.228 17.726 -10.481 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 -3.691 6.706 -6.600 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 -2.097 -1.676 8.127 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 2.831 13.887 -5.999 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 1.438 -9.238 2.956 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 9.206 -16.840 -9.947 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 2.416 2.880 18.212 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 -7.023 -10.533 0.274 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 5.985 16.717 29.208 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 -9.861 -24.067 -10.722 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 -2.410 3.395 -0.925 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 17.396 17.187 1.976 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 -2.770 -15.445 18.110 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 2.773 -0.450 -2.990 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 2.841 -2.151 -2.837 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 5.211 -14.239 -1.403 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 -0.991 1.365 -4.336 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 -9.760 -2.288 1.407 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 3.099 -2.867 -23.913 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 -6.443 5.329 -5.594 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 -30.034 9.611 2.386 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 -11.839 -7.346 -12.878 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 1.806 0.908 4.508 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 1.103 -9.924 9.484 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 -2.420 8.535 16.458 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 -2.093 -5.943 1.523 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 16.878 8.220 -3.933 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 -5.280 -17.427 -27.828 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 -8.131 6.971 -2.391 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 -27.099 8.855 -11.805 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 2.100 2.085 0.386 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 -5.744 4.369 -4.944 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 -9.256 3.457 -2.084 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 5.853 6.889 -10.715 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 -2.244 1.144 6.793 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 -23.423 8.697 -4.599 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 1.285 4.553 5.958 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 -3.515 -1.142 6.301 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 -15.704 -10.275 -4.108 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 8.720 -2.809 -1.729 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 -0.297 2.145 -0.138 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 4.629 -4.204 0.376 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 -5.268 6.711 -3.131 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 0.445 9.028 -1.611 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 2.712 14.598 -3.797 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 1.246 9.889 -2.140 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 -4.615 2.628 -1.724 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 -10.331 14.172 2.570 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 4.255 9.790 3.343 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 -4.986 -1.004 -1.139 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 9.907 0.881 -1.995 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 11.377 23.126 -9.290 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 -0.048 -1.716 4.724 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 -14.837 3.722 13.531 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 11.410 3.302 5.396 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 3.485 -4.940 6.150 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 0.869 -22.946 7.322 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 9.878 -18.586 -25.351 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 -1.125 3.420 0.351 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 1.351 -0.008 5.567 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 -10.830 -1.608 -17.940 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 -4.380 0.495 -2.541 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 -5.002 -10.987 -4.079 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 -14.050 -2.175 -12.241 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 0.800 1.227 0.210 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 -9.040 1.684 13.123 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 -0.254 -12.047 5.045 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 0.957 2.473 -0.845 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 -10.472 1.077 -16.642 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 -12.033 7.853 -8.753 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 -1.030 6.830 3.500 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 -17.958 -15.844 4.716 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 2.285 15.164 6.715 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 5.452 -3.263 5.748 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 8.736 -1.565 12.191 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 10.897 -4.504 15.900 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 5.440 3.985 -1.641 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 15.396 20.971 -15.135 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 1.075 9.174 11.303 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 5.369 2.901 8.030 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 7.067 7.899 -8.254 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 -5.307 -0.072 13.762 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 0.504 -5.623 2.085 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 6.809 -4.427 -6.993 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 6.836 -5.141 5.694 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 0.101 -0.495 -5.905 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 -25.629 9.585 -14.847 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 30.199 20.676 0.843 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 0.719 -9.137 0.859 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 -28.529 -3.024 1.636 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 16.693 17.926 8.548 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 -1.980 3.638 -2.783 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 19.482 -2.948 -6.530 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 -18.551 8.971 -8.875 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 3.181 -0.139 -8.944 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 12.511 -14.950 -18.788 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 -1.860 6.088 -4.395 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 0.214 -6.550 9.956 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 -7.965 -18.252 -4.466 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 -18.157 -4.303 13.109 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 2.501 -5.398 2.839 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 -6.261 2.177 -10.931 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 6.136 9.382 9.411 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 -0.940 6.266 -7.572 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 9.932 13.410 8.720 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 -12.009 -12.802 7.197 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 -0.746 3.327 -7.639 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 4.911 -7.086 -18.705 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 -9.658 7.510 8.003 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 4.300 3.796 -2.590 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 -18.610 29.735 3.586 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 9.655 0.811 -0.497 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 3.530 -5.739 1.931 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 -2.158 17.151 11.328 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 7.643 0.220 -6.661 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 -1.215 3.314 -9.123 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 1.852 11.111 -19.639 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 16.453 14.258 -4.111 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 -0.147 -3.246 -1.275 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 -8.344 -15.202 -12.563 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 9.500 11.422 -6.920 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 6.222 -8.092 2.505 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 8.586 -8.102 4.417 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 23.478 -2.666 10.495 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 0.689 4.738 -1.241 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 -14.368 0.869 4.395 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 -22.779 21.401 0.442 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 -5.119 2.203 -2.338 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 0.970 -16.117 -1.933 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 -13.165 25.820 10.869 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 2.723 2.627 -3.693 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 -3.464 3.752 -20.590 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 -3.208 5.226 -3.079 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 -2.189 0.013 -1.966 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 1.957 -13.453 -9.859 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 -4.357 4.335 -1.183 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 -6.557 -1.123 0.087 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 -6.714 -1.743 -15.595 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 7.222 -2.627 4.925 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 -2.774 1.985 -2.108 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 -12.119 16.375 1.368 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 -9.794 -5.067 -0.909 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 -0.953 -4.200 -3.746 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 19.840 -23.063 -1.456 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 5.891 2.150 -11.234 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 -1.192 -5.947 4.892 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 7.656 -13.505 -8.705 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 1.402 -6.481 3.415 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 -0.883 -0.229 -2.544 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 -3.047 -8.130 8.217 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 2.400 -6.224 -9.688 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 1.098 2.454 0.486 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 -13.125 -44.485 12.063 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 -0.992 -11.820 14.771 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 4.708 2.692 -4.029 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 5.062 17.423 -15.742 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 1.099 -10.044 4.879 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 -6.087 -2.727 4.441 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 -23.523 -21.795 9.537 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 6.238 -9.863 8.807 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 2.655 -1.106 -1.013 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 16.914 31.002 -1.934 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 6.292 -3.216 -13.163 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 5.559 -3.205 0.344 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 -20.851 27.325 -17.266 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 10.707 -10.267 -12.606 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 -3.416 2.372 -0.598 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 -22.509 -18.662 22.891 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 11.700 -8.197 13.288 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 4.531 2.864 3.634 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 7.141 -1.297 2.072 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 6.743 0.821 0.600 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 0.574 -3.009 1.106 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 -2.017 -0.208 6.633 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 7.910 -9.804 -11.587 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 -1.731 -1.053 5.482 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 -11.614 8.215 -0.484 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 4.959 9.247 4.883 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 2.715 -3.368 5.639 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 1.390 2.980 -1.819 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 -10.912 6.693 9.222 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 -7.162 -1.684 3.888 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 4.152 6.032 -9.356 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 1.658 2.670 2.156 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 -1.036 -5.297 -1.013 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 6.881 6.690 -4.655 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 -11.753 1.492 -0.271 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 4.231 1.225 -3.305 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 -0.552 12.298 -2.042 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 1.509 -6.098 23.964 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 2.232 4.984 -1.468 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 2.637 21.392 -13.859 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 -22.194 7.960 18.627 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 2.410 -2.360 0.167 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 5.893 3.554 -4.885 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 -16.583 -20.689 24.069 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 4.533 -3.530 4.443 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 -23.041 -10.448 -14.137 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 -13.556 12.465 6.149 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 -2.279 1.000 -2.921 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 -3.318 0.748 -3.752 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 -5.167 0.129 -2.641 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 -5.956 3.819 0.989 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 3.778 -1.292 5.397 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 -13.237 15.205 2.799 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 -4.319 -0.645 4.784 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 2.398 12.580 -18.783 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 27.303 4.327 -3.720 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 -0.076 -2.583 6.127 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 -2.614 -0.407 -0.861 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 4.470 -0.580 12.510 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 1.057 -4.088 -2.366 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 0.913 -13.371 -6.255 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 3.087 1.160 -7.902 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 -1.443 1.243 -5.220 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 -17.833 -6.940 -3.525 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 4.564 3.808 19.063 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 1.407 6.450 -1.377 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 26.266 -0.474 13.435 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 -17.617 12.663 -1.488 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 -2.173 -1.126 2.195 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 -21.415 0.860 -10.797 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 -3.218 -2.860 -29.077 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 -3.371 6.235 6.271 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 -14.778 9.920 5.176 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 -16.134 -7.161 7.526 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 6.592 -0.539 2.507 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 6.927 0.381 -4.260 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 -7.297 4.598 -9.563 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 -8.265 0.471 -2.253 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 -1.940 -1.840 0.657 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 9.776 8.901 -20.289 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 0.780 -0.394 1.126 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 -4.092 1.765 -4.137 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 10.854 -14.053 12.361 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 3.618 -6.160 -1.936 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 6.236 -8.390 4.229 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 -1.362 8.615 6.727 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 4.535 -0.855 -7.645 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 0.888 -2.402 -8.947 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 -0.638 -9.206 -3.724 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 -5.816 0.756 -4.631 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 -9.288 -17.568 -4.740 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 -3.535 10.018 4.607 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 -3.847 -2.631 -1.530 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 9.314 2.048 8.295 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 -6.358 3.177 4.738 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 -6.572 2.259 1.812 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 19.797 15.558 0.419 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 0.807 8.090 0.910 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 -7.389 1.010 2.657 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 -13.082 13.559 -3.989 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 22.672 -6.120 -2.110 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 5.058 0.551 -1.037 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 8.268 -4.014 8.775 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 1.188 2.895 7.711 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 -0.712 -2.116 -0.299 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 0.982 12.576 -1.658 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 14.465 19.822 -4.361 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 -2.326 -2.136 -8.613 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 -4.893 0.982 10.783 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 -3.593 1.840 -11.033 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 2.359 2.034 -0.961 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 27.277 2.881 -10.512 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 7.415 -3.481 -25.920 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 1.788 -2.193 1.744 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 -15.358 0.525 7.770 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 9.970 -9.241 6.102 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 2.057 0.777 7.730 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 4.370 -3.913 -10.062 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 10.701 -11.070 5.070 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 -3.119 -1.466 -5.772 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 -3.525 6.122 -6.194 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 -3.504 6.475 -6.015 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 -1.827 5.520 -1.020 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 -5.730 6.243 -1.107 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 -9.111 2.054 -2.981 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 2.095 -8.043 1.288 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 -12.945 2.937 -13.508 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 -16.982 8.921 -21.628 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 -2.283 2.740 1.312 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 18.772 8.596 13.560 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 25.858 9.266 30.977 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 -0.381 2.992 -7.341 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 -0.099 -8.588 -15.271 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 0.528 7.721 10.616 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 6.957 -1.491 0.330 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 -22.193 21.471 0.631 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 -5.551 0.216 0.774 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 -3.081 -1.964 3.167 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 -14.716 14.904 -2.340 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 17.849 -1.623 -0.932 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 2.619 0.623 -5.398 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 0.114 2.686 -20.987 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 -6.926 -10.142 4.683 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 1.154 6.814 1.376 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 8.644 1.943 21.987 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 -13.292 1.186 -6.656 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 7.226 -5.107 0.850 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 -5.108 -5.140 -1.067 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 11.964 1.848 14.768 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 4.563 -6.879 -2.581 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 -1.642 -11.600 -13.031 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 -5.547 4.057 7.347 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 2.339 0.867 4.429 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 3.021 -0.096 -4.911 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 7.186 -1.586 8.404 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 3.738 -0.339 3.885 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 17.148 5.351 19.069 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 5.632 -10.570 -7.702 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 3.731 0.137 3.946 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 8.854 18.845 -8.717 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 11.026 18.797 -8.221 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 -5.917 -3.849 -3.728 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 -10.363 -22.709 -26.593 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 -2.260 6.166 -11.206 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 1.405 1.481 -1.278 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 2.476 6.942 1.824 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 -16.135 23.852 -7.544 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 -3.974 0.134 -0.116 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 2.652 0.332 32.820 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 4.822 -23.251 -20.014 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 -0.341 1.422 0.544 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 4.981 -18.338 15.744 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 8.828 -5.781 1.129 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 2.086 2.087 -4.666 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 -7.885 18.106 5.021 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 33.136 4.786 -4.467 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 1.087 0.370 -7.248 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 3.636 2.174 -8.083 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 0.453 -12.787 -6.663 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 -1.606 7.626 4.032 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 -7.123 16.676 5.273 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 -18.007 -5.613 13.182 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 -5.865 2.085 -0.693 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 -6.916 0.616 -0.909 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 -3.945 2.902 -0.878 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 -0.416 5.033 0.287 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 4.711 25.050 -27.524 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 -16.711 20.858 -15.441 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 -2.663 7.980 -1.891 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 -4.677 2.720 7.055 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 -2.519 2.743 8.367 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 -5.602 2.088 1.599 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 -12.368 6.489 15.873 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 -3.462 -9.569 -3.453 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 3.997 -4.301 0.761 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 25.511 24.773 15.415 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 0.399 -6.852 -0.770 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 5.379 0.347 4.871 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 0.713 -2.347 7.114 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 -1.024 23.706 17.041 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 1.236 1.504 -9.805 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 4.325 -13.356 -12.420 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 -12.455 10.135 0.720 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 0.037 0.447 0.217 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 -3.407 -6.760 -2.831 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 -6.080 2.701 -0.694 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 0.396 1.026 0.935 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 -18.053 -6.910 18.081 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 -2.177 -7.159 8.818 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 -3.465 -4.087 -4.705 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 15.713 3.461 -7.152 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 -2.786 -10.116 -5.661 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 -0.994 -3.583 0.570 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 -5.311 -8.073 -0.004 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 1.752 2.040 4.802 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 -2.902 -1.823 7.485 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 -8.718 -6.805 2.319 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 5.123 -11.284 5.191 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 -2.156 -3.424 -2.878 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 -15.446 -2.444 -18.663 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 5.747 15.674 0.712 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 0.412 -4.906 5.621 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 3.720 -1.766 11.282 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 2.428 2.261 4.766 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 -4.076 -11.576 -0.186 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 -8.687 -16.159 -1.668 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 19.173 -7.736 21.331 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 -1.533 -5.814 -0.099 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 -7.330 4.068 11.508 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 12.116 -23.044 -5.113 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 -4.657 7.520 0.380 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 6.571 -12.576 -2.909 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 -28.047 -2.389 0.998 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 7.646 -3.172 -0.245 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 11.548 8.725 -3.922 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 -6.564 0.580 -15.408 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 -3.784 -5.315 -0.654 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 4.945 7.013 15.875 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 -18.765 -6.562 1.098 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 -3.122 11.366 5.199 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 -18.148 18.863 -1.742 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 -10.137 13.423 24.786 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 -5.835 -2.032 0.765 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 2.894 -1.968 4.721 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 -4.128 -4.221 -8.477 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 7.671 4.118 -0.751 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 6.194 -6.356 -3.587 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 14.094 5.063 8.364 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 3.860 2.675 0.006 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 14.889 -1.320 -12.880 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 -28.727 19.799 -24.422 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 -1.086 1.640 9.993 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 24.769 32.717 24.993 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 -1.876 9.089 17.590 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 -7.427 -7.155 2.794 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 11.858 17.157 -13.685 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 13.699 -6.350 -7.880 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 3.734 1.165 -0.245 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 9.256 14.771 -10.069 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 22.441 3.195 11.452 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 0.877 -7.902 8.338 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 -11.846 7.394 -1.317 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 -5.397 -19.816 -2.429 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 -0.736 1.216 -1.406 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 2.212 -12.670 -9.684 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 -20.394 0.583 -3.570 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 1.402 1.716 4.088 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 -3.435 7.894 14.758 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 7.043 -3.513 -5.221 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 -6.015 -4.661 6.676 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 11.055 12.054 10.271 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 -16.496 21.147 29.673 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 -3.929 -0.412 -2.104 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 5.747 -22.578 13.654 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 6.842 19.632 2.159 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 -5.925 -2.410 1.436 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 5.163 -1.956 -30.555 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 8.432 1.731 11.420 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 2.483 0.711 0.787 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 16.910 0.850 -3.424 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 -7.080 0.635 4.956 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 -1.615 2.988 3.484 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 6.081 -4.242 10.113 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 -7.435 -0.084 15.970 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 2.563 2.640 1.747 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 13.198 -14.790 1.820 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 -6.528 6.177 -1.345 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 -1.496 1.220 -6.925 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 -1.942 -4.113 -5.584 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 -5.981 -26.918 -2.077 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 0.047 0.950 -0.228 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 0.511 0.158 -7.126 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 -8.833 -10.037 1.202 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 4.063 -3.968 -0.169 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 0.024 1.751 12.930 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 -1.063 -13.844 -3.167 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 4.130 1.992 0.623 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 10.823 -3.728 -7.018 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 -0.449 12.159 -6.098 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 -5.147 5.662 -1.269 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 -12.532 -5.329 -17.289 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 1.645 16.778 -5.043 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 -2.531 4.746 -1.288 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 2.871 -8.037 -4.095 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 -2.411 0.486 5.559 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 5.775 -2.024 -4.476 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 -7.444 -36.309 16.969 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 2.003 -7.584 0.345 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 2.603 2.360 0.435 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 -8.226 -13.175 5.623 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 0.218 -22.485 -6.508 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 2.756 -3.200 -3.852 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 5.586 -2.228 -3.065 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 2.353 -5.441 -6.986 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 -2.569 -0.151 8.271 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 -3.208 12.468 30.445 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 -9.587 2.935 1.236 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 4.389 1.861 -1.920 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 27.540 -0.544 -5.374 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 1.257 4.143 -1.983 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 -7.008 3.266 3.207 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 -17.124 20.753 -0.894 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 6.386 8.762 16.976 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 -2.016 1.900 -2.134 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 18.772 -30.832 -0.546 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 -25.777 16.846 2.308 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 6.210 -5.195 -1.289 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 17.239 3.418 4.365 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 9.100 25.727 -0.797 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 3.286 7.499 -0.479 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 -7.104 6.046 0.281 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 -3.297 0.332 -10.757 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 1.014 -0.442 -5.015 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 7.102 -35.962 -14.591 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 -0.731 -15.683 1.514 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 3.809 1.079 6.705 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 4.066 -13.006 -8.396 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 10.518 2.749 0.339 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 5.963 3.269 -7.204 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 4.804 16.485 -24.040 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 16.062 -12.307 -19.677 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 4.146 1.395 -4.142 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 2.956 -4.767 6.820 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 -5.283 9.752 -4.838 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 -0.538 5.742 3.885 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 11.483 3.346 -6.747 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 1.286 13.933 16.059 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 -0.706 0.656 2.413 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 -21.764 0.798 1.817 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 21.859 32.892 -2.652 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 7.304 0.981 4.279 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 -16.790 20.500 17.262 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 -10.163 13.342 4.827 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 0.481 2.380 4.774 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 -4.035 1.900 -8.512 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 -1.473 1.955 0.479 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 2.367 -3.090 3.735 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 -17.120 -7.608 -25.309 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 -1.068 -6.739 -16.628 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 -6.891 1.082 2.713 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 -13.983 -21.467 20.559 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 4.795 21.646 20.799 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 -4.401 1.924 -0.652 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 7.449 13.755 -1.474 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 -7.646 -2.858 15.398 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 -5.873 3.129 -8.665 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 -11.815 -1.221 39.053 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 -17.409 4.035 0.107 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 1.689 4.259 7.594 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 8.218 10.084 -11.676 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 -13.083 18.826 13.510 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 -2.914 2.675 -3.030 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 0.091 -5.138 -7.525 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 17.879 17.689 -9.832 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 -8.073 7.016 -1.081 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 -1.779 8.552 -1.496 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 -7.912 0.392 5.177 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 1.787 1.626 4.376 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 -6.025 16.817 -0.779 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 -12.613 -10.204 3.275 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 -2.666 0.925 -4.429 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 -3.686 -21.428 6.821 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 8.529 21.287 12.717 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 -0.555 0.870 1.297 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 -14.607 1.615 -0.468 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 19.074 3.760 4.907 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 4.185 1.856 -0.898 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 -1.007 9.076 -17.369 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 7.314 -1.865 8.202 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 4.334 2.102 5.353 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 -0.202 5.188 21.997 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 1.384 3.446 -3.332 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 7.296 -0.420 -0.358 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 -4.788 -0.412 -6.801 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 5.475 2.297 -3.437 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 -2.640 -3.494 0.567 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 7.972 -10.976 25.607 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 -10.415 4.793 -11.451 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 -4.922 -2.854 -1.713 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 13.956 21.573 15.200 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 -4.063 -8.652 -5.091 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 -0.807 -2.068 -5.728 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 8.871 13.709 -22.694 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 15.454 -8.127 -7.331 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 4.859 -0.238 0.548 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 9.417 -0.482 1.542 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 19.043 -10.915 -16.599 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 -1.185 -0.921 -3.770 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 6.455 -0.514 16.662 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 2.195 -6.397 -0.195 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 -0.054 0.377 -0.176 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 -0.197 0.828 -13.028 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 8.671 7.980 -6.933 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 -1.896 -3.476 -6.606 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 -12.421 0.851 -6.054 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 -4.145 -7.430 11.636 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 5.074 1.142 6.388 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 4.626 11.976 7.256 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 5.721 13.467 7.103 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 -1.536 11.282 5.550 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 -34.299 -0.176 -19.834 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 -4.255 5.597 -7.697 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 -2.852 -2.322 -2.302 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 -20.156 -2.546 -4.379 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 -26.667 -1.754 16.154 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 3.512 -6.212 -0.409 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 -0.218 -0.339 7.439 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 4.705 -4.704 -1.739 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 4.439 5.725 8.868 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 6.935 3.055 8.951 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 13.641 8.787 12.245 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 3.234 3.644 2.216 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 15.716 -0.213 5.763 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 -0.723 -5.640 -6.400 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 -8.168 0.029 4.790 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 -10.616 10.763 7.297 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 -41.705 9.937 0.945 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 -1.047 -1.168 -3.139 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 1.395 0.893 -8.182 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 5.030 -0.289 -6.730 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 0.209 3.865 -3.815 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 -23.800 -21.450 -13.201 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 -19.054 -24.049 -19.726 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 -5.414 3.689 5.507 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 -15.285 -7.296 3.585 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 -1.442 7.745 6.016 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 2.169 -6.280 -5.221 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 15.529 -9.571 12.124 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 2.631 -8.456 -1.489 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 6.594 0.755 0.356 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 -3.901 22.457 -7.428 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 13.002 6.032 7.016 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 -1.929 1.109 3.964 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 -17.761 -10.791 6.687 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 -3.014 -8.309 11.754 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 8.134 1.132 -0.640 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 25.127 1.396 -18.969 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 2.118 2.806 12.830 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 0.873 -4.859 -0.080 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 -1.670 0.068 -4.533 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 4.214 -2.372 -5.992 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 1.601 -1.412 -0.747 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 -8.671 13.989 6.313 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 -12.109 12.100 0.574 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 2.868 -4.277 0.307 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 8.062 -8.589 -3.341 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 -0.347 5.845 -3.550 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 0.657 1.214 2.834 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 0.316 6.041 0.365 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 1.027 14.739 -7.544 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 -0.639 5.356 -1.396 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 -0.815 0.348 -14.630 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 1.760 9.026 5.972 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 -4.938 -0.636 6.874 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 -8.872 7.172 33.190 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 -1.846 -1.667 13.661 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 -0.770 5.421 2.122 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 14.815 -12.954 -17.812 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 -12.987 -16.089 25.254 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 9.947 7.169 -2.613 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 9.330 7.514 5.400 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 -11.814 5.289 18.564 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 4.097 -1.880 -0.239 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 -4.224 12.042 -1.963 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 9.927 -20.330 -2.352 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 -1.652 -7.187 -0.765 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 -14.908 -16.704 4.629 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 -14.244 -20.760 -1.783 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 -2.085 -4.314 -1.813 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 -6.600 1.981 -4.591 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 -8.342 -37.149 -12.018 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 0.728 -5.838 4.462 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 -10.219 6.002 -5.097 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 6.996 5.619 18.617 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 -2.646 6.738 -6.293 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 -3.413 4.731 -16.595 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 -10.655 12.898 8.114 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 -3.662 -3.491 -9.552 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 6.225 -7.498 -18.914 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 18.882 -2.828 -8.347 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 1.930 -0.497 -2.828 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 8.066 2.806 -6.760 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 -7.358 -4.232 5.870 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 -7.358 3.468 3.288 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 -18.683 -7.534 28.731 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 6.434 -13.097 -31.460 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 9.658 -5.013 3.190 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 11.153 -0.539 5.028 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 10.319 -6.961 -3.988 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 7.233 9.345 0.761 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 3.219 -8.971 16.058 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 -10.189 21.332 10.565 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 -3.323 -1.318 -5.045 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 -19.983 -1.191 15.804 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 -8.421 -11.618 -7.927 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 -3.674 6.098 -1.382 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 -25.443 -4.714 -4.332 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 -9.067 27.864 4.621 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 -2.778 7.414 -0.684 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 -4.368 8.613 -1.933 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 -6.857 -8.113 24.303 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 4.849 2.274 0.987 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 4.397 -4.034 -16.839 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 9.532 -2.024 12.563 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 -6.157 0.993 5.669 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 13.516 -8.317 9.530 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 -4.667 22.232 -4.930 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 3.608 -5.542 3.173 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 1.582 -0.624 16.877 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 8.783 -27.514 -0.975 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 -1.089 1.034 0.286 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 12.350 21.229 6.500 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 -10.651 6.741 -21.551 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 -4.614 -2.276 -1.612 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 -0.569 -20.709 3.636 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 -4.723 9.208 -6.094 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 -0.471 3.945 -0.863 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 -9.569 10.162 -35.347 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 -2.986 36.000 13.722 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 2.763 -2.326 0.431 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 12.841 9.130 -5.424 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 -7.996 -5.034 6.627 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 1.443 3.526 -1.984 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 6.830 13.417 -0.793 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 -4.656 -10.005 -4.304 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 -3.725 -0.238 -4.192 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 0.312 16.354 8.651 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 -24.165 8.237 -6.605 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 -0.485 -1.882 0.490 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 6.937 3.371 -19.457 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 -6.373 11.346 6.576 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 1.855 -6.257 5.037 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 7.202 -17.667 6.627 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 8.001 4.505 7.709 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 1.084 0.326 5.316 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 -1.148 19.551 -17.943 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 0.483 16.112 -3.483 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 -1.018 -8.194 0.012 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 -6.778 -6.749 -7.538 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 -10.136 -5.696 -2.298 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 2.944 2.970 -6.159 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 -11.425 19.627 -17.252 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 8.013 15.724 12.075 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 -2.565 -2.772 2.443 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 -2.446 10.951 5.550 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 -17.610 -5.558 -0.811 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 -3.210 0.164 -0.486 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 0.422 -13.030 -7.100 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 4.653 -14.285 -10.591 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 -1.742 -2.326 -1.280 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 -10.789 8.492 8.377 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 10.923 9.319 0.449 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 0.028 -2.605 -4.683 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 -15.319 4.061 8.871 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 0.448 8.779 -10.947 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 2.187 -0.082 8.205 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 -4.052 -13.472 -10.116 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 5.035 -10.491 -6.160 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 2.742 -0.591 -4.728 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 -1.484 -7.020 -13.428 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 6.178 2.257 -8.570 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 4.001 1.726 -3.759 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 2.505 -18.386 -5.258 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 -0.261 6.207 16.551 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 -9.514 -3.834 1.384 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 21.906 -0.706 -14.018 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 -24.341 19.294 -21.779 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 3.795 -1.171 -0.319 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 22.002 -6.559 16.433 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 -11.157 -7.632 7.768 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 0.008 -1.721 -0.172 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 -34.351 6.865 -11.053 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 16.538 -10.978 23.644 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 7.804 -9.058 -0.706 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 12.200 -7.297 -1.004 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 6.361 -9.201 0.114 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 1.141 -2.341 -5.746 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 2.032 -9.735 -18.985 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 3.498 10.948 7.939 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 -3.608 -4.692 -6.462 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 -6.674 -8.049 -10.296 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 -14.566 0.676 -8.009 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 4.230 -5.128 7.838 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 -0.341 -2.501 13.724 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 2.779 -6.911 6.643 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 -2.373 0.647 -2.078 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 -2.798 1.411 -2.320 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 14.777 -2.338 -17.137 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 -1.742 -2.508 -2.630 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 -16.871 0.478 -9.646 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 -12.834 -8.263 9.896 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 1.269 0.208 -5.192 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 -17.424 1.142 -0.844 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 -3.831 -3.193 -2.081 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 -1.016 -3.836 -0.549 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 -9.657 3.404 -1.431 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 2.072 -11.410 -9.411 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 -3.169 5.212 0.534 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 -5.130 6.912 -1.708 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 -3.804 4.049 1.830 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 -1.233 -6.189 1.388 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 18.302 -9.687 6.667 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 8.235 0.167 -21.548 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 0.479 -3.398 1.124 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 -7.640 12.404 -5.132 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 1.698 -11.387 3.256 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 -1.632 5.473 4.692 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 0.236 4.071 12.937 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 14.949 -5.033 -1.072 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 -1.227 0.004 -0.034 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 -1.446 7.789 22.069 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 10.992 -0.821 -10.843 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 0.546 -5.908 6.387 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 13.435 6.472 -7.676 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 3.837 -5.515 38.449 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 -4.339 -1.369 1.687 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 3.528 7.825 -10.385 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 -7.554 6.222 -11.464 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 -7.853 0.567 -3.769 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 -21.069 14.494 6.570 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 6.533 8.106 -8.528 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 1.367 3.186 -0.672 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 -3.083 2.943 -6.658 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 3.420 -0.554 5.770 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 5.993 -0.375 7.095 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 21.973 -15.537 -17.639 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 9.613 11.354 21.301 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 -6.532 -0.504 1.461 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 -11.231 -2.817 3.647 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 -10.085 5.569 2.571 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 3.618 0.608 -1.008 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 0.513 -5.228 14.977 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 1.183 21.511 -20.842 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 -3.325 3.472 1.557 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 -10.234 16.813 -5.952 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 9.331 8.379 16.491 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 2.429 0.049 1.860 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 3.434 -0.847 -10.296 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 1.787 -3.986 6.342 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 2.452 2.773 -6.747 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 13.717 -1.450 -6.946 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 -9.819 -16.279 10.352 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 -2.455 -5.349 1.476 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 1.534 -7.951 7.656 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 -11.445 -14.361 11.015 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 0.224 -7.906 -4.771 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 0.399 -4.047 -3.071 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 2.927 -10.552 -10.010 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 1.856 2.184 0.574 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 11.260 -5.205 -15.611 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 4.224 7.941 9.409 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 -3.072 -1.441 -0.277 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 -5.206 -3.699 0.349 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 -1.853 -6.112 -25.210 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 -0.958 3.975 5.641 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 13.407 2.644 -6.000 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 -12.940 -12.462 5.020 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 -5.011 0.220 -0.475 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 2.463 27.273 -0.297 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 -15.581 7.741 11.653 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 5.971 7.963 2.193 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 -17.719 -11.602 18.861 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 -10.183 -1.023 12.320 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 3.160 -1.591 3.048 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 37.629 -9.481 15.565 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 -28.711 -7.016 -17.261 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 4.657 0.111 5.222 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 6.666 29.721 -1.185 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 -2.806 1.605 -6.251 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 0.644 -2.931 2.980 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 -5.716 -2.805 9.085 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 2.830 -9.830 -0.568 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 -0.356 2.880 0.424 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 14.472 7.781 6.726 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 5.132 10.877 5.501 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 -5.614 1.858 -2.653 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 -12.517 -20.608 -10.171 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 -2.662 -4.999 -15.954 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 -2.304 -0.807 9.745 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 -2.064 -6.054 7.265 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 7.278 18.172 8.437 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 -5.189 5.814 -1.854 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 -4.064 0.614 23.118 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 -21.677 1.292 -6.034 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 -4.729 -8.328 3.720 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 8.386 8.873 5.177 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 -21.042 -1.328 -1.837 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 1.829 0.852 -0.277 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 2.129 0.804 -14.592 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 1.011 0.738 8.674 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 -9.513 1.173 -6.631 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 -29.586 0.770 16.535 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 -7.608 3.278 -6.918 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 -11.223 -0.659 1.064 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 -4.687 9.201 -0.940 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 -30.248 -11.656 -13.216 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 1.682 -2.723 -2.004 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 17.783 13.939 18.911 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 1.221 6.604 -12.328 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 0.966 -0.139 -2.893 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 0.213 -6.221 12.530 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 2.543 1.221 4.650 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 5.403 -4.314 3.492 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 4.022 -13.278 -1.272 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 -12.582 27.342 -10.779 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 -1.641 -3.777 -5.220 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 -5.561 -4.002 3.092 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 -23.764 3.972 -0.847 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 -2.837 0.967 8.280 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 1.538 -23.840 10.671 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 9.450 3.999 -1.017 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 -1.590 -0.663 1.934 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 24.214 -13.946 6.612 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 4.020 9.838 26.873 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 4.720 -7.324 -2.218 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 -0.525 -1.644 7.733 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 6.662 -24.690 3.839 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 -1.106 -1.240 0.684 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 26.521 12.824 4.484 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 2.274 -15.146 14.272 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 1.159 -0.379 2.324 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 15.992 -6.639 4.303 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 -2.330 8.942 -4.110 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 9.594 -2.385 -3.431 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 -13.942 -20.794 10.962 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 15.773 -3.717 -1.865 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 3.860 0.907 -1.814 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 -2.800 -0.918 12.316 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 7.436 -3.038 -8.055 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 2.242 -0.744 3.208 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 7.068 0.774 6.311 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 6.710 -7.346 -8.876 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 0.672 3.950 1.704 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 -13.735 14.652 12.579 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 -0.692 2.081 1.758 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 -1.112 1.307 -1.360 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 -2.246 -0.557 -4.518 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 -4.790 -14.745 -15.251 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 -0.065 0.629 -1.041 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 -1.630 1.348 -2.163 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 4.962 -6.698 -12.938 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 6.083 5.501 -7.398 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 -16.004 -13.368 -14.105 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 -11.134 6.401 9.485 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 0.117 4.743 -0.453 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 2.289 3.286 -8.159 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 7.568 2.092 -4.207 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 -5.904 1.499 6.077 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 -6.890 0.647 3.369 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 -7.764 2.952 9.621 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 -0.469 -0.814 0.432 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 -9.374 -12.518 11.331 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 -13.045 -9.485 13.927 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 7.201 9.618 3.898 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 35.013 -13.486 2.764 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 11.379 -19.498 1.613 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 2.868 1.512 1.037 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 14.583 -8.091 7.032 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 0.429 -3.358 33.779 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 -1.100 5.209 3.240 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 8.596 -6.467 23.208 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 8.369 -5.660 20.495 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 1.587 -4.190 6.399 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 35.602 -14.865 1.507 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 1.798 -7.262 22.064 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 0.982 0.446 6.388 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 15.455 8.816 22.126 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 12.405 5.406 17.782 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 -6.037 -4.447 6.010 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 -2.123 -8.803 4.707 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 -4.763 -23.841 -3.642 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 2.229 1.898 -8.417 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 -13.612 -9.246 -2.708 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 5.942 10.650 -2.370 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 -1.020 -2.532 3.120 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 11.683 2.497 17.867 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 -1.601 -10.686 -10.388 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 -1.525 -1.878 -2.982 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 -3.788 -5.977 3.023 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 5.920 -0.191 -20.119 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 -1.629 -3.966 2.556 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 -2.302 -1.461 5.696 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 1.618 -13.534 10.239 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 -1.368 -1.221 3.592 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 12.696 -4.192 10.454 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 19.160 24.617 -10.749 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 -0.776 1.056 -4.768 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 14.430 15.420 22.352 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 2.745 16.140 18.330 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 -0.010 -6.244 -5.737 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 -10.183 3.917 -3.035 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 -19.308 -16.396 10.277 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 -4.413 1.345 6.460 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 1.892 -9.116 -8.776 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 -2.428 -3.438 -26.402 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 7.482 -2.785 3.130 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 1.635 5.703 32.297 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 7.735 23.026 3.233 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 0.530 -3.305 3.627 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 -12.419 13.875 6.574 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 10.145 11.965 20.219 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 0.731 -5.013 -2.275 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 16.267 -5.608 -2.207 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 21.262 -10.879 12.311 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 4.436 -0.811 3.633 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 -3.104 -7.020 -5.448 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 -20.610 -22.388 -6.866 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 0.277 1.881 0.922 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 -14.311 0.325 -4.250 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 5.415 5.678 0.245 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 2.549 1.720 2.660 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 -8.231 23.640 11.735 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 8.526 -3.257 -2.270 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 4.466 -1.669 -9.281 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 -0.741 -12.287 -2.839 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 8.978 5.922 -14.329 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 -1.450 -1.303 3.380 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 2.210 -1.399 9.706 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 2.030 -0.289 -1.411 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 -0.602 -2.592 -0.984 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 -0.094 4.412 6.647 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 0.106 5.986 -7.301 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 -3.240 0.122 -2.103 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 -3.181 -3.740 -7.122 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 -4.853 -2.263 6.990 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 -3.192 0.463 -4.539 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 -5.260 3.071 -6.044 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 7.628 0.410 -3.495 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 1.064 4.255 4.529 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 19.877 14.006 -12.360 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 11.806 0.348 -21.017 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 3.350 1.646 2.789 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 1.986 -24.943 13.450 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 6.578 33.675 -9.407 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 4.727 -2.343 1.794 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 -5.793 -1.551 2.604 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 0.943 -8.216 7.732 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 -5.832 1.387 -1.923 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 2.142 -9.679 7.583 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 1.665 -11.933 9.933 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 -0.025 1.030 6.386 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 -3.163 22.826 20.647 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 -23.830 -8.018 0.012 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 6.280 -1.225 4.183 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 20.811 -16.802 8.404 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 10.996 4.997 -15.228 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 -8.100 -1.170 4.936 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 -0.726 -6.804 20.635 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 -6.135 3.789 -13.895 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 4.245 8.145 -0.996 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 34.398 -2.345 -13.846 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 17.280 -35.088 12.723 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 -6.787 -1.945 -3.147 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 0.881 0.501 -37.588 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 7.729 18.046 0.228 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 -6.813 -3.758 -0.435 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 -13.244 -23.826 10.604 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 -9.780 -2.967 -5.270 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 -0.462 -3.155 -7.033 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 -7.498 12.653 10.907 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 2.559 -2.788 -11.862 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 5.912 1.390 -7.771 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 -8.159 -1.303 6.094 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 7.666 -19.289 -0.395 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 3.163 1.417 -1.190 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 15.410 -1.561 -4.557 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 7.633 18.168 10.609 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 -1.796 -2.799 0.337 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 -4.993 -5.048 3.765 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 -10.811 -9.814 10.192 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 6.816 -1.233 0.833 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 8.500 -3.456 9.262 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 11.138 2.855 -25.307 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 -4.127 -1.090 -2.807 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 25.110 -1.334 -15.692 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 -6.976 -20.572 16.497 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 3.903 -1.643 -3.477 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 -4.893 5.507 16.924 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 7.958 -22.378 -34.861 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 -8.751 -4.738 6.145 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 -5.167 -2.711 -1.569 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 17.660 5.891 -3.839 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 6.217 1.950 2.702 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 23.770 -9.852 11.104 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 -8.006 -6.553 -19.476 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 -5.030 -3.995 3.730 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 5.988 10.651 0.230 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 5.554 17.144 -16.398 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 -0.470 -2.217 7.340 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 9.511 -3.157 -6.706 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 -13.536 7.859 0.274 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 -0.962 -2.235 -2.313 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 -5.152 -7.860 -0.830 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 7.905 15.385 -10.637 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 -2.447 -2.852 0.537 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 8.895 -5.081 11.300 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 2.857 -2.621 6.958 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 -2.126 1.502 -0.092 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 -3.360 -2.038 -18.152 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 -12.225 10.143 -23.975 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 -2.830 2.316 5.194 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 0.510 15.736 -2.291 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 9.066 -14.924 -16.994 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 0.621 3.735 -2.003 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 -3.097 24.537 13.669 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 2.401 -15.448 -8.396 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 3.986 6.494 -0.343 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 -0.290 1.467 2.264 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 1.959 4.181 -2.275 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 6.602 -4.887 10.312 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 15.587 -4.786 6.691 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 25.733 -9.066 -1.571 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 -5.193 -6.807 5.979 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 -10.112 -1.386 16.525 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 -13.995 -4.864 10.761 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 1.649 -3.943 10.233 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 3.570 0.095 -4.165 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 -5.237 18.355 -0.382 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 3.910 5.562 -4.570 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 -6.938 -1.230 2.702 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 2.922 2.505 -16.773 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 -1.399 2.425 2.579 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 9.791 -0.386 37.533 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 -6.367 13.298 3.756 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 5.377 4.180 4.757 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 -27.299 8.812 17.446 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 12.644 -26.836 7.436 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 -7.582 6.943 4.442 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 -9.883 4.147 10.674 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 -0.878 17.188 -16.103 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 -3.943 -3.969 -1.640 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 -39.207 18.687 -22.689 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 13.740 -14.415 18.043 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 -5.957 -2.422 1.439 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 -1.418 -8.281 7.584 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 -26.111 -17.472 1.921 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 0.710 -3.415 -0.338 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 9.675 -15.995 7.669 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 0.309 9.045 -0.591 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 -0.566 5.353 0.783 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 -10.356 10.806 -0.993 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 8.004 3.005 5.438 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 -7.439 3.060 -1.177 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 -5.241 -6.647 -6.975 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 -6.566 -10.645 -9.322 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 7.917 -3.063 -1.470 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 8.200 0.028 -9.065 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 7.392 -7.530 6.948 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 10.250 -5.055 3.765 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 6.178 -16.794 4.072 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 1.160 -3.572 -0.366 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 0.071 5.500 -3.696 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 -0.420 3.351 16.043 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 -22.086 -3.977 -8.924 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 -4.220 -4.997 -4.642 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 0.767 1.271 -3.002 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 -10.818 -10.615 6.201 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 2.236 -0.688 -0.567 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 -1.904 7.700 -13.948 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 -9.579 3.538 6.300 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 -0.063 1.162 3.296 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 1.305 3.826 18.471 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 13.579 13.692 6.378 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 5.536 3.470 -0.389 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 -9.032 8.242 5.492 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 18.209 6.927 6.157 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 1.134 0.313 -3.503 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 -5.894 7.733 -19.182 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 13.886 -2.435 7.149 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 6.269 0.219 0.269 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 7.174 -4.192 3.289 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 7.511 -6.558 7.151 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 6.335 5.554 -5.768 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 -9.274 6.385 9.441 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 -5.295 4.912 5.842 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 -2.231 -0.244 -6.757 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 -17.456 21.306 -18.968 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 2.333 -3.890 -8.475 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 3.523 -6.283 3.377 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 5.224 18.318 -30.465 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 6.953 23.996 24.237 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 1.127 2.043 -9.590 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 -4.420 -8.368 -3.615 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 -2.308 12.218 -10.708 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 2.832 7.582 -0.880 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 13.538 0.419 3.873 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 0.809 -4.026 -12.735 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 4.465 -1.589 -6.077 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 3.712 8.040 1.253 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 0.290 -9.247 -6.844 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 0.576 -5.848 6.796 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 -25.268 -19.647 13.334 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 -2.593 10.218 -13.136 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 0.719 -2.706 -3.877 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 23.463 -16.528 -15.865 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 5.232 35.333 -4.465 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 1.100 2.769 -2.379 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 5.115 5.406 -1.241 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 -3.266 1.842 -2.606 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 -0.712 1.715 -0.145 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 -0.113 8.502 4.777 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 -12.201 -8.476 21.968 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 -2.043 2.348 -3.296 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 -22.533 -7.550 -1.569 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 8.141 6.675 -15.499 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 3.459 -0.604 4.364 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 3.057 -2.034 7.556 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 2.632 -5.131 13.637 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 -4.136 5.004 -2.348 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 0.835 6.295 -0.080 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 -8.788 6.052 2.734 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 -1.125 -4.713 -2.421 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 -7.569 -0.669 0.647 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 -10.921 -4.202 5.404 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 -1.776 5.893 3.047 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 -3.678 16.766 -7.475 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 0.833 16.684 11.101 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 -1.006 6.135 -4.334 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 16.042 0.098 2.657 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 -6.427 3.217 3.312 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 -3.475 1.653 4.442 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 9.106 -12.426 14.213 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 0.665 19.519 14.011 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 2.542 -6.932 -5.510 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 -6.126 2.187 -6.426 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 -4.194 10.050 3.107 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 -2.758 1.532 3.730 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 -22.720 7.906 -12.363 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 -9.875 12.722 -3.561 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 3.826 -1.120 -0.527 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 -7.287 14.638 -7.821 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 21.668 -24.099 -20.954 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 3.405 0.192 7.899 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 9.972 -14.936 23.949 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 -3.239 19.222 20.830 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 1.838 -5.462 -0.738 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 5.954 -10.093 0.314 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 -9.744 6.624 3.574 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 -3.886 0.255 -1.512 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 -0.288 -10.930 12.836 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 -0.080 16.025 4.359 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 0.229 4.822 0.539 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 -4.283 1.998 0.365 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 -14.605 -6.453 9.885 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 1.078 1.140 2.035 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 8.251 -15.946 -0.343 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 -8.407 16.610 -5.111 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 -0.581 -0.787 -3.295 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 -15.896 -15.974 9.059 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 12.167 8.401 -16.465 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 -1.929 -1.835 -1.199 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 3.700 5.222 4.471 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 -2.132 -9.885 5.352 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 7.126 -5.312 -2.600 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 10.605 2.096 0.115 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 3.058 -7.571 4.787 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 1.861 0.140 2.711 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 -6.548 3.639 0.354 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 0.279 0.561 -1.709 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 5.223 -0.827 2.850 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 -3.532 15.711 16.346 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 -7.976 0.260 -15.521 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 -0.689 -3.687 -4.077 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 -12.243 7.799 5.383 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 14.800 -4.754 6.437 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 0.153 -1.378 7.097 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 -3.813 0.440 -7.743 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 -14.194 -6.913 -2.828 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 -3.252 10.893 -0.230 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 -12.043 31.036 15.501 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 16.948 13.812 5.461 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 -6.825 -3.845 0.071 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 -26.366 3.172 -15.506 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 10.854 -11.087 9.770 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 -0.829 -3.390 3.089 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 -6.164 -8.465 10.636 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 7.961 -4.877 -14.437 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 8.129 6.568 -4.998 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 -16.224 -20.651 -7.658 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 -14.685 18.586 10.112 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 1.408 -1.443 -1.449 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 0.864 0.752 -3.448 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 4.296 -7.886 9.890 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 -12.395 0.109 4.411 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 -3.944 -8.776 15.543 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 -14.066 15.075 11.787 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 -1.918 1.233 0.301 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 3.869 -27.943 18.838 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 12.580 1.392 11.427 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 5.814 -1.790 0.813 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 -9.257 4.158 2.613 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 -30.362 -45.150 -1.297 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 -1.989 1.645 1.543 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 -5.453 -21.591 -3.264 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 -4.485 -16.585 -6.277 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 -0.123 -1.332 -0.993 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 -3.154 -5.047 4.386 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 -7.061 -10.566 -12.585 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 -4.870 6.861 -0.665 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 5.553 15.314 6.360 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 3.453 7.029 -0.631 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 -5.053 10.550 -0.412 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 62.206 -7.159 -22.390 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 22.728 5.847 -10.362 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 5.747 3.935 1.416 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 1.696 1.990 0.910 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 16.956 10.831 1.447 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 -2.695 -8.138 2.153 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 -1.143 20.442 5.561 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 -1.143 17.325 17.252 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 -8.375 0.800 -5.544 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 -6.226 3.030 13.750 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 -5.313 1.914 2.809 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 5.497 -3.533 6.230 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 2.002 8.322 -9.501 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 1.893 5.921 -6.076 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 1.852 -1.209 -6.395 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 -24.371 -1.791 -7.172 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 12.694 -5.299 -6.277 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 3.577 -1.157 5.151 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 -1.366 -7.031 -6.167 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 0.177 -5.750 20.207 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 -1.040 -2.928 4.303 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 24.274 -18.729 -13.168 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 9.551 -11.180 2.195 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 2.361 -2.308 -4.615 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 -22.535 -6.738 -7.240 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 12.593 -2.342 -4.255 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 -0.761 -2.012 6.789 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 10.922 14.302 -13.155 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 4.128 -23.729 19.767 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 2.565 -2.507 2.160 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 10.233 1.487 6.484 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 8.634 -4.839 -6.612 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 6.757 3.864 10.663 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 0.585 3.981 -19.301 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 -0.515 8.811 -3.394 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 -1.747 2.011 0.254 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 -41.269 -50.482 -18.688 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 -6.338 20.732 19.457 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 0.715 1.615 3.205 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 0.002 11.456 -6.062 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 10.281 -7.594 -3.269 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 2.566 -4.446 -0.739 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 -2.971 -0.638 -21.727 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 4.384 -13.287 3.179 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 -4.803 -1.912 -6.778 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 -24.625 4.909 10.502 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 -7.635 6.339 -2.163 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 2.040 -5.534 3.790 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 8.496 -10.669 6.988 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 -11.796 -9.857 -27.811 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 2.992 -10.031 -5.575 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 14.926 -14.032 -9.860 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 1.757 -4.208 0.817 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 3.293 0.121 -3.225 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 0.990 -6.280 -8.131 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 9.763 13.134 -0.633 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 -6.252 2.837 2.858 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 -3.219 22.760 11.433 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 -1.953 16.150 16.385 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 0.017 -1.781 6.999 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 6.048 0.492 -16.127 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 16.879 -11.456 -4.983 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 -0.380 -1.271 -2.719 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 -13.494 4.181 -3.172 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 -0.944 -12.838 9.217 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 -0.178 -3.599 -3.684 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 -19.408 5.575 -0.328 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 -7.765 8.408 2.100 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 -2.166 1.246 -12.967 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 23.753 -14.933 -2.517 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 21.349 9.129 -2.132 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 -7.719 3.044 -7.688 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 -5.001 -11.821 -35.009 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 -4.953 28.533 -18.990 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 -5.828 3.119 2.833 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 17.497 -1.136 5.809 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 0.078 -15.365 6.137 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 5.775 -0.771 -3.421 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 20.513 -1.628 11.566 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 -9.537 9.831 -0.463 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 1.580 -1.524 0.949 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 10.101 1.455 18.120 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 -2.394 -7.814 5.265 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 -3.740 -3.211 6.852 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 2.448 2.697 -7.546 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 -2.313 -21.438 -14.555 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 -3.620 -1.605 2.292 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 -5.542 0.125 3.827 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 -2.226 -5.059 -4.231 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 5.295 -0.281 -4.263 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 2.205 -1.940 -4.598 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 1.541 5.468 -1.004 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 2.784 1.371 -4.588 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 0.735 -2.793 -3.682 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 -11.342 -12.718 -9.647 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 -1.489 -1.041 -1.077 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 2.530 1.602 -11.856 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 6.964 -9.849 21.964 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 0.648 -0.497 -2.741 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 0.630 0.714 -4.153 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 -2.587 -5.707 -9.860 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 1.078 -1.758 -9.294 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 -5.079 19.734 -10.040 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 3.185 -4.475 -6.132 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 -3.050 6.185 3.002 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 -0.347 7.495 3.567 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 5.759 6.344 -7.764 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 -4.289 8.331 5.470 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 -7.271 -28.648 29.236 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 -9.891 -9.922 15.159 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 6.091 -12.065 -1.879 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 -9.273 -6.765 -18.550 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 -2.039 1.401 6.872 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 1.554 -6.774 -4.148 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 0.754 -21.247 -11.319 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 -0.553 -0.581 -8.148 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 -3.174 -2.510 -5.202 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 10.009 3.537 -9.365 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 -2.518 -2.233 6.974 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 -2.686 -1.007 0.461 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 -7.137 -1.687 14.645 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 4.186 -1.901 -14.147 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 4.013 -1.500 3.298 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 0.743 -3.508 -2.465 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 -3.291 -6.187 -9.226 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 5.674 -0.319 2.630 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 2.139 8.514 -10.530 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 4.820 -29.389 33.338 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 -2.369 3.855 -4.404 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 -16.503 2.963 -11.328 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 -7.882 6.319 -16.105 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 1.174 3.944 6.119 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 16.925 -6.108 6.691 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 -7.203 -8.953 1.013 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 -1.220 5.751 -3.231 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 -5.352 -8.267 10.007 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 11.897 -5.704 -10.131 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 -5.020 4.316 0.541 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 -3.973 5.220 -15.061 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 -8.460 12.416 4.553 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 9.120 -2.259 -4.271 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 8.264 -3.639 -6.020 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 3.345 -23.363 -16.713 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 15.035 -1.129 4.127 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 26.417 -6.226 -5.924 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 15.391 11.445 4.743 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 4.380 -5.394 4.081 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 10.003 -0.816 -13.849 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 -1.525 -12.292 7.879 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 2.873 -5.587 -0.963 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 5.738 -5.791 1.236 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 4.082 -2.812 -1.528 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 3.515 -4.135 0.727 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 -5.983 -21.689 18.468 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 -22.047 28.044 6.765 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 -0.405 -7.696 -3.071 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 7.214 5.435 1.460 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 1.820 -8.541 -47.689 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 -1.378 4.932 -1.800 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 11.530 -7.144 26.219 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 5.491 -1.998 -5.668 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 4.517 -1.662 -1.196 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 3.835 1.033 -3.403 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 -4.266 -10.780 -10.405 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 -1.469 -3.545 0.138 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 -26.165 -7.800 -3.215 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 0.632 9.529 24.723 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 -1.341 2.481 6.363 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 12.527 -8.880 1.807 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 -3.315 3.387 8.476 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 3.217 0.908 3.001 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 -2.191 -4.094 4.912 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 8.164 3.081 11.301 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 1.028 3.768 3.014 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 2.336 23.798 12.178 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 -9.528 -16.993 7.607 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 7.558 8.576 -0.142 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 3.723 7.018 9.566 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 9.137 -1.064 -3.345 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 -5.090 5.337 -4.076 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 7.750 1.857 -8.204 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 1.552 3.831 -2.425 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 3.143 0.885 2.374 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 6.583 6.409 -2.366 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 -5.344 7.040 -11.923 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 -0.953 -3.687 1.682 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 12.284 1.797 14.331 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 3.687 1.262 6.984 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 -0.592 6.333 -0.776 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 12.156 10.869 -9.236 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 -9.171 -5.774 11.956 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 3.835 -0.630 3.062 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 8.004 1.424 4.492 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 17.097 4.637 6.597 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 0.884 3.966 -1.409 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 16.604 4.654 -4.708 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 2.944 30.837 17.987 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 -0.883 -2.301 1.827 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 3.507 12.414 -15.236 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 7.898 20.598 9.268 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 1.600 -0.290 1.537 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 14.267 0.154 -0.774 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 -4.222 3.266 0.806 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 1.701 5.058 1.557 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 -4.502 -12.255 13.455 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 -6.004 19.153 -8.835 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 8.474 -0.934 3.175 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 10.324 1.417 2.400 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 2.485 -1.742 3.731 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 -0.626 4.516 -1.352 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 -8.394 4.498 13.748 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 -5.207 -16.173 11.676 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 -4.291 -3.624 -1.237 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 -10.921 -22.868 10.030 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 2.246 14.702 -11.348 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 -5.751 3.772 3.337 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 -10.919 -7.598 -23.660 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 -8.935 8.137 5.180 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 0.515 -3.170 -3.240 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 -13.471 15.125 -4.653 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 6.656 -3.185 7.427 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 12.527 1.721 -2.661 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 -11.292 -16.985 14.628 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 8.561 -11.721 10.169 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 -6.930 -2.227 -4.671 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 0.715 -10.390 -23.625 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 -12.517 14.922 -26.922 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 2.295 -0.189 -5.280 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 -3.243 -9.804 6.920 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 5.701 6.987 -12.992 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 2.374 -1.787 -2.221 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 6.902 -5.062 0.935 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 -15.149 -4.375 -23.009 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 -5.305 -4.105 8.174 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 -17.796 -12.514 -16.310 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 31.747 15.100 -29.347 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 6.225 -1.342 8.960 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 -19.583 21.319 8.654 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 25.551 9.806 -15.680 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 -1.838 2.038 1.896 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 19.618 17.490 -13.091 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 -10.969 -17.207 -1.294 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 -5.012 -3.719 4.199 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 15.388 3.833 -7.613 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 0.583 9.454 8.608 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 -8.153 -0.800 0.282 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 -8.663 -13.939 12.502 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 -13.292 18.417 -2.058 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 -1.196 7.212 2.297 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 2.129 1.351 0.337 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 -2.980 8.418 4.739 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 4.600 0.857 -4.878 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 28.205 17.767 -6.855 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 -25.629 -7.283 -4.479 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 -2.017 -3.293 -4.861 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 1.960 16.136 0.702 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 12.936 -13.741 38.862 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 1.890 0.598 -3.307 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 -6.264 3.074 -20.623 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 -10.877 6.309 10.357 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 0.313 5.242 1.222 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 9.935 3.681 18.270 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 -4.797 1.670 10.474 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 3.466 -0.318 1.828 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 4.009 3.158 4.182 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 -1.838 -28.891 -11.337 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 0.625 3.727 1.724 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 4.068 -18.790 -5.646 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 2.626 -9.149 4.028 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 -0.063 -0.702 1.437 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 0.102 -4.759 5.455 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 -8.046 5.992 9.729 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 -6.965 2.860 3.819 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 -1.346 1.811 -15.481 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 -12.502 7.614 -6.651 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 -4.621 -1.099 -6.151 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 16.896 3.080 2.495 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 -16.666 -7.968 1.996 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 -7.336 -0.157 -1.932 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 -17.689 0.454 3.215 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 0.441 6.702 -3.709 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 -4.338 -5.074 0.760 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 7.385 -22.231 1.091 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 -10.164 12.870 1.998 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 0.371 -3.198 2.934 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 25.287 -24.688 -0.003 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 -24.016 -20.015 8.524 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 0.218 8.138 1.999 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 14.908 -1.486 -13.647 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 -13.927 6.640 9.991 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 9.582 -3.205 6.751 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 6.061 3.183 9.411 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 11.808 -12.681 28.303 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 -4.225 -5.814 0.130 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 2.668 -16.504 11.005 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 -12.518 21.091 4.657 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 1.996 0.234 -3.530 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 27.669 -22.316 -7.409 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 -2.931 9.537 29.103 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 -0.449 4.087 -1.557 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 4.503 -2.674 15.577 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 10.791 16.788 -21.135 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 -4.011 -2.766 1.068 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 -4.744 4.256 -5.173 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 -4.391 -1.063 -8.259 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 2.298 -5.408 -1.529 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 -0.911 2.700 7.189 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 -7.120 -13.245 -3.563 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 5.979 -1.586 -0.520 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 -16.568 -10.414 -16.747 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 -31.411 11.493 16.327 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 -1.929 5.441 -2.320 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 -5.410 6.245 -11.386 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 1.621 16.688 3.246 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 -4.424 -3.173 3.378 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 2.116 -13.022 -2.187 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 -16.877 -5.261 -5.628 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 2.284 -1.547 5.148 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 29.383 -22.742 6.861 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 2.434 -5.721 7.893 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 3.743 -5.170 2.687 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 11.506 20.180 10.954 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 -1.081 -17.222 -20.643 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 5.273 3.520 -1.699 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 7.903 1.082 12.983 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 43.755 12.673 14.594 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 -3.334 -1.226 2.139 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 -26.157 13.379 9.559 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 7.995 -18.006 9.235 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 4.866 9.358 -2.055 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 5.139 11.870 5.089 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 -1.901 9.181 -8.072 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 1.372 -1.658 -1.322 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 8.185 3.212 -5.545 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 15.978 -24.591 -10.141 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 7.173 1.136 3.382 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 19.108 -3.004 11.602 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 10.624 1.551 -4.101 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 2.110 4.176 0.156 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 1.387 -5.460 27.417 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 5.038 -16.794 11.617 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 3.419 3.763 -5.566 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 0.805 7.021 -14.982 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 7.589 -8.159 16.721 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 -5.127 2.536 0.328 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 15.535 1.617 2.424 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 -7.486 1.144 0.332 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 -0.897 4.507 -5.573 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 1.603 4.288 -5.794 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 -26.084 8.357 -9.768 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 2.193 -1.817 -0.838 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 9.145 4.122 -9.080 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 7.504 -10.589 -0.020 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 2.129 -1.493 2.570 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 -27.350 -16.800 7.397 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 -7.416 -11.755 3.858 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 -2.522 1.099 -4.141 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 -7.863 -2.868 -5.973 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 -12.508 -21.200 -8.631 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 3.623 0.710 -2.121 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 2.921 4.083 -5.125 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 20.009 0.403 3.582 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 -0.012 0.434 3.154 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 -13.813 2.138 1.057 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 0.974 -1.611 3.843 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 7.037 -3.098 -1.504 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 -14.678 -9.969 -6.781 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 12.347 -14.047 18.779 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 -5.120 -2.276 -5.218 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 7.200 6.514 24.471 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 -36.087 5.113 -10.248 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 0.504 -7.464 1.109 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 2.816 -16.069 -7.279 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 -11.048 -4.417 -1.374 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 0.734 6.232 -4.353 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 5.158 3.144 0.212 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 -6.173 5.996 -0.312 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 -1.567 -4.094 1.508 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 -5.235 16.314 10.393 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 9.356 0.802 4.656 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 -0.847 4.591 -1.647 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 -11.665 -18.094 4.182 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 31.381 2.250 21.633 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 -6.833 -3.851 2.775 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 -2.818 6.895 3.779 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 -12.010 -13.319 2.887 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 10.857 -4.780 2.949 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 -8.376 -2.006 9.602 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 -2.148 2.969 1.821 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 6.384 3.992 0.671 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 -3.503 4.881 -3.508 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 15.155 -7.759 0.926 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 4.515 -0.833 -2.991 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 -3.310 16.643 11.645 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 5.380 -1.887 -7.511 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 2.171 2.210 -3.713 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 8.018 8.525 -1.966 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 -4.738 -23.444 0.342 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 0.971 -2.676 1.019 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 6.658 -12.725 -26.728 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 4.330 8.109 11.271 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 -12.262 -3.392 -4.737 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 -5.443 -2.054 -7.365 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 -10.274 -6.805 -6.946 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 -1.538 -0.329 5.233 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 0.854 11.525 -0.181 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 -3.093 -6.804 -0.836 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 -7.535 -0.696 -4.877 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 -0.794 -5.556 15.913 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 -13.566 -7.318 9.279 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 -1.529 -1.200 -1.279 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 -11.953 -13.073 10.062 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 -12.995 -2.740 -12.581 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 3.556 -1.197 2.257 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 17.033 25.626 16.876 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 -3.272 -10.122 -12.447 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 -2.073 -0.499 -5.937 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 33.037 12.560 2.196 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 -24.900 21.928 14.383 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 -5.089 2.543 -1.774 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 11.320 -15.453 -5.415 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 -3.545 -2.995 -3.598 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 -2.038 2.864 -2.643 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 -2.780 17.325 5.266 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 -3.858 -7.514 7.556 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 0.340 2.628 0.790 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 -31.796 -2.268 -4.006 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 6.919 -2.713 7.887 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 0.845 5.833 2.979 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 -0.479 5.125 3.351 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 10.727 8.717 -3.701 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 -1.886 -8.811 -2.215 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 3.419 -1.128 9.223 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 7.094 -7.167 1.355 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 -3.691 6.884 3.656 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 8.416 16.447 10.873 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 -21.898 -13.192 -3.780 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 5.893 3.542 -2.498 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 -9.736 -21.182 -0.760 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 -3.787 16.607 -22.336 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 -0.556 2.450 -1.148 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 2.235 8.220 -4.179 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 -20.011 -5.228 9.023 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 1.960 -1.304 0.240 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 1.627 -13.919 -7.985 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 3.920 1.030 2.455 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 5.004 -7.291 -0.883 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 4.153 -6.357 -10.994 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 -16.388 -4.829 3.957 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 6.309 1.530 -0.322 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 -9.529 -10.590 -6.576 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 1.427 -2.690 -3.587 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 -1.945 0.526 0.695 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 -1.708 -4.247 5.496 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 2.979 -6.081 6.557 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 -4.986 -3.653 5.598 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 -11.204 -21.508 -7.097 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 -1.630 1.320 10.560 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 -1.903 -2.000 4.981 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 -10.259 2.843 37.361 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 12.574 3.806 -10.986 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 -3.175 3.606 -3.632 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 12.587 9.076 -16.649 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 -15.348 -1.473 8.313 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 -5.019 6.102 -2.221 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 -4.177 5.006 1.398 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 -5.342 -2.815 -6.590 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 -1.295 -5.569 1.429 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 4.745 -3.577 -29.014 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 -2.773 -6.279 4.752 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 4.393 1.561 -3.321 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 25.004 -6.460 -10.795 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 3.494 -8.373 -1.986 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 0.598 -1.366 3.619 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 -21.917 2.261 2.296 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 10.802 -25.847 0.377 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 1.556 -2.476 3.180 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 -11.013 -5.139 21.861 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 -1.808 0.977 4.281 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 -2.546 -1.827 -2.594 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 -1.581 0.007 -6.912 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 5.703 10.911 -12.432 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 -3.111 -1.227 1.003 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 16.772 17.969 -17.469 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 2.784 20.613 -14.086 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 3.602 0.668 3.090 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 13.004 18.527 -1.617 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 22.667 4.680 11.511 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 -5.369 4.459 -2.188 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 12.698 13.685 2.849 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 2.895 3.524 -2.550 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 -2.996 5.156 2.238 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 -31.715 -12.478 -0.071 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 5.725 11.062 17.819 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 -3.740 -4.425 -3.144 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 -6.754 12.977 0.262 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 -11.591 -13.858 5.076 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 0.799 1.739 -1.578 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 13.224 6.667 -8.488 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 14.052 -9.745 9.246 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 -2.276 1.680 2.583 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 -3.066 2.411 4.150 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 -1.383 -3.840 -11.946 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 -0.554 5.840 -1.464 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 13.001 -7.467 23.095 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 -2.245 6.807 -3.472 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 7.125 -5.485 0.073 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 10.846 8.373 -24.010 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 31.900 -10.513 6.192 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 0.795 -2.663 7.450 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 -5.543 -8.020 24.570 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 -14.296 -9.248 -0.645 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 -0.593 -0.173 -3.011 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 -3.822 8.309 6.875 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 19.268 8.652 -8.312 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 -3.409 1.930 3.867 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 -1.676 8.602 -0.727 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 -22.902 -12.703 -7.218 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 -0.375 0.882 -0.870 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 8.171 -5.143 15.279 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 -4.503 9.357 -7.462 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 3.863 4.971 -1.455 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 6.866 -13.473 -10.679 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 -14.252 8.274 -1.925 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 2.014 1.820 -1.733 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 6.262 11.796 -16.654 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 36.249 -9.831 21.115 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 0.838 7.424 4.202 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 -15.336 -2.555 11.586 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 -6.406 24.648 -0.744 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 -0.554 -1.853 3.006 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 -3.775 2.178 4.145 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 7.178 0.407 6.933 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 -1.706 -2.001 5.577 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 -6.616 -2.418 -2.938 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 -13.682 -9.071 -6.303 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 2.063 4.295 2.034 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 -2.865 2.564 17.780 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 16.239 -5.988 -13.828 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 -4.381 -9.646 1.333 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 10.946 5.742 -8.548 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 -4.936 -4.408 23.850 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 -1.366 -0.861 1.100 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 -16.370 0.312 3.159 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 4.857 12.359 7.446 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 2.830 1.888 -1.751 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 25.656 1.115 -11.976 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 -6.670 19.211 -0.550 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 0.103 8.757 -0.646 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 -5.852 21.777 -21.627 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 -2.449 25.410 1.495 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 -10.244 2.169 -5.188 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 1.585 -2.358 5.193 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 -3.759 14.248 -12.483 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 -0.028 -0.975 -3.065 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 10.960 7.821 4.167 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 6.750 -16.772 0.990 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 0.175 0.462 -0.056 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 4.972 -1.687 -4.792 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 22.824 1.786 9.527 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 -4.083 4.628 -3.749 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 12.481 2.590 -5.578 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 3.439 5.155 -6.360 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 -5.520 3.538 5.941 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 -12.232 11.525 -4.778 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 -1.786 -5.212 3.118 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 -3.939 1.539 0.476 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 -4.177 -1.232 -2.946 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 -3.855 5.299 3.143 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 -1.012 4.735 -0.689 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 2.484 -19.965 -4.321 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 4.869 19.817 2.228 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 -5.660 -0.587 3.691 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 -25.884 -17.212 13.084 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 10.780 -11.131 4.811 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 0.833 3.468 2.526 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 9.294 5.592 22.301 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 2.509 2.179 7.102 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 -1.833 4.576 -0.830 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 -14.951 -6.346 -0.628 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 2.180 0.857 17.499 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 3.505 -1.955 -1.811 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 -26.192 -20.162 -30.643 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 -2.662 -1.179 -5.117 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 -6.985 2.995 3.441 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 -2.865 5.703 -2.701 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 -9.543 -1.889 3.701 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 -0.097 2.687 3.638 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 5.780 18.390 -3.803 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 -18.466 4.653 0.982 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 -3.644 -5.172 -3.373 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 -1.891 8.034 -13.302 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 5.205 37.662 -12.326 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 -2.403 -0.592 -1.062 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 1.141 -6.432 34.541 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 -10.485 -18.003 -10.269 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 -0.508 -1.113 3.794 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 0.705 7.664 -0.853 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 -1.659 -14.141 5.462 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 -5.510 0.739 -4.971 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 15.456 -4.941 11.180 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 -26.543 4.463 3.780 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 2.454 -5.037 6.168 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 6.901 10.739 21.574 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 1.143 -9.054 1.842 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 1.429 -2.140 -1.376 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 7.259 11.312 6.760 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 11.892 4.508 -14.993 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 -0.304 6.195 -7.989 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 9.188 -13.378 27.790 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 -14.238 40.670 -31.740 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 8.382 -7.558 5.440 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 7.186 -7.331 6.297 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 7.270 -5.036 1.706 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 5.897 -0.468 3.235 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 -7.333 12.200 -3.914 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 0.185 5.903 1.839 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 0.961 -7.864 0.256 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 13.520 -7.698 4.494 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 -4.245 3.751 1.840 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 -0.252 3.596 0.060 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 4.632 3.135 -10.919 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 -10.054 -10.374 -5.239 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 1.935 2.150 4.131 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 -7.217 12.940 -18.831 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 -18.305 6.664 22.052 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 0.291 -7.382 3.506 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 -4.512 5.065 18.581 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 10.412 12.334 5.925 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 -0.277 -0.066 -8.481 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 -9.525 16.301 -10.470 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 -11.703 -9.859 4.086 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 -0.555 -4.808 6.829 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 6.077 -15.745 -7.619 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 -14.810 28.190 16.574 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 -4.604 2.262 2.994 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 -3.010 -21.572 -14.368 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 0.102 -3.692 7.714 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 1.963 6.528 -3.046 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 1.085 -2.456 16.584 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 21.155 5.010 -10.536 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 5.346 0.988 -1.887 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 14.624 13.091 -10.242 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 2.600 -11.638 -9.491 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 3.537 -3.625 -1.987 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 10.527 -22.891 8.883 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 1.793 -10.343 -1.309 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 6.362 2.154 0.094 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 -6.703 7.290 -8.322 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 3.157 -17.064 -0.611 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 -8.104 0.678 -2.214 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 -24.293 14.999 5.949 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 -18.870 -0.947 6.199 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 0.790 0.648 -5.841 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 7.180 1.485 -14.409 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 -3.001 -6.099 -2.953 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 -0.865 -3.598 1.707 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 -1.935 -1.772 -11.544 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 -11.001 1.453 -21.747 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 0.847 -5.881 -0.778 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 -1.124 -12.365 -1.098 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 1.907 -10.510 3.100 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 -5.517 8.393 1.299 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 -0.836 10.426 27.189 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 11.579 12.190 -5.113 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 3.056 2.333 3.843 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 10.633 6.736 -13.083 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 -10.871 -0.760 -4.651 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 -4.810 0.717 -3.921 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 10.294 -1.059 15.861 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 -13.983 1.053 8.801 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 -3.508 -6.959 7.343 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 -3.731 -1.310 11.227 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 -0.578 0.101 0.271 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 1.513 0.188 5.390 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 2.329 -6.711 -0.656 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 -13.240 -9.326 2.675 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 -5.778 8.216 -0.074 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 2.676 -7.379 -24.362 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 26.942 -2.239 0.824 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 5.070 1.350 6.636 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 -8.345 1.818 17.811 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 14.112 -6.456 17.935 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 7.822 3.961 -1.216 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 1.027 -1.398 -11.317 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 -1.519 -0.345 2.896 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 5.542 -0.343 -3.948 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 38.161 2.623 -14.174 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 -1.287 17.876 4.974 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 6.116 0.499 1.289 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 -10.698 -17.917 -7.845 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 6.377 -0.950 2.911 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 6.686 5.019 -6.933 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 11.603 2.232 -2.723 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 12.472 -0.842 -0.583 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 1.845 -0.559 -4.140 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 -10.387 -2.879 -3.769 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 -11.392 -0.945 0.626 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 -1.548 2.487 8.046 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 -8.663 15.393 -0.378 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 28.302 -9.624 8.496 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 1.309 7.483 0.228 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 -1.547 5.918 -5.081 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 8.169 11.237 16.752 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 1.530 3.808 1.492 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 -1.676 4.791 -0.701 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 4.544 5.553 0.152 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 0.145 0.239 -3.170 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 3.066 16.155 -10.909 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 5.651 8.598 -12.988 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 8.024 -3.936 -2.380 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 -7.380 4.149 -5.453 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 7.487 -8.147 5.805 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 -0.190 6.321 -2.395 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 -8.231 5.000 12.591 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 15.595 9.398 -21.800 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 -0.674 -0.088 -4.725 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 0.819 19.834 -12.226 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 -34.733 -0.073 0.170 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 4.692 -10.984 2.628 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 6.560 -2.847 -5.039 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 14.812 -16.560 3.608 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 -2.547 -2.199 -5.839 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 -4.708 -3.909 -6.286 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 -19.925 0.043 -6.152 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 2.833 3.341 -0.627 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 -1.083 -6.551 -25.671 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 21.515 6.646 15.856 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 4.724 -2.581 3.689 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 -4.762 -25.377 -0.434 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 4.265 -5.677 4.152 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 4.301 -4.495 4.592 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 24.956 -4.891 12.203 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 3.199 -28.842 -13.774 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 -3.309 7.874 -5.601 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 -9.971 18.922 -5.652 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 9.839 -7.732 -8.702 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 1.558 1.394 1.475 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 -13.499 -9.759 -11.413 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 1.645 3.277 -20.292 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 4.755 2.692 -1.078 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 -38.725 24.268 5.285 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 18.089 2.092 9.305 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 0.109 -0.356 -1.674 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 4.024 -21.500 -5.546 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 -13.226 6.771 4.391 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 3.178 -0.060 -1.673 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 6.233 5.874 3.105 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 14.692 -11.796 1.139 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 -0.187 -2.636 -8.987 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 11.213 -1.304 -2.539 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 -31.971 -5.685 -23.455 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 -1.516 3.537 -5.870 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 6.748 -2.453 -10.044 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 -17.907 6.258 0.259 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 3.303 2.479 2.126 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 -9.301 -25.851 8.371 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 -2.647 15.550 13.821 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 4.201 7.018 1.002 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 9.721 -31.548 12.155 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 13.224 1.396 -3.957 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 -2.431 7.375 2.590 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 -10.894 16.302 -1.122 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 7.660 4.924 4.430 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 -0.991 -4.149 3.903 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 -15.394 -28.502 17.298 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 2.740 -8.902 -24.590 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 7.784 -2.892 3.017 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 6.598 -4.459 -0.769 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 9.221 -0.050 11.138 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 -6.272 4.993 3.709 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 0.648 3.815 28.371 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 -20.317 3.242 -5.415 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 -5.131 -5.471 4.970 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 -4.626 0.171 18.261 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 -17.562 4.068 1.591 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 -9.728 -7.820 1.483 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 35.003 -11.967 5.792 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 -18.099 -16.764 -18.465 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 -0.995 -8.215 -3.039 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 -13.931 1.681 10.786 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 -22.844 -19.985 1.918 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 -2.806 0.662 7.102 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 0.882 -2.298 7.782 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 11.858 -25.336 8.962 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 1.291 3.011 5.918 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 2.693 0.744 3.757 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 2.001 1.882 5.674 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 -3.590 1.543 -1.420 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 -0.597 -38.566 -4.331 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 1.052 -22.294 -11.769 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 3.686 -2.556 4.512 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 -4.966 6.958 -3.960 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 3.832 -5.040 3.718 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 -0.075 -3.052 -0.039 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 11.081 -40.548 -1.219 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 9.253 -6.777 -0.746 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 0.352 -0.571 -1.996 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 -2.450 2.794 1.047 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 14.409 -7.782 14.438 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 2.957 5.551 -3.552 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 16.700 10.562 -1.821 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 2.716 -3.347 -14.465 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 1.839 -0.075 2.317 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 11.389 5.118 -5.543 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 19.585 6.981 8.817 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 -1.056 -2.386 -4.703 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 -11.722 -19.490 5.064 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 -18.963 -2.086 14.000 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 -1.153 0.407 -6.594 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 -8.881 -7.518 -23.303 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 -14.659 16.730 3.289 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 -1.536 -1.690 -5.635 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 -5.619 3.232 -2.775 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 -7.479 -4.928 -1.037 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 4.616 -6.069 -1.985 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 -6.587 -0.333 -5.351 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 3.786 -18.642 2.206 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 1.808 4.076 1.660 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 -3.788 -4.548 0.445 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 9.911 11.680 -10.836 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 1.273 1.550 -2.014 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 -11.638 4.382 0.506 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 -3.080 0.755 -1.326 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 1.689 -7.425 -6.805 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 1.302 -2.859 9.941 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 -5.027 4.938 37.349 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 -1.754 4.077 -0.130 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 31.512 1.692 -0.165 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 -1.926 1.579 -14.806 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 -0.890 -3.861 -0.691 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 -8.179 -2.437 3.828 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 -8.067 -11.665 -4.915 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 4.322 -1.004 5.208 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 5.285 -7.838 9.911 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 7.188 -2.853 -1.673 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 -4.673 -3.969 -3.600 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 14.235 5.955 -7.715 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 -12.248 -23.692 -4.868 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 -0.305 -2.002 5.614 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 -7.515 -8.393 23.533 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 -3.497 -8.548 -0.420 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 -2.639 -1.985 2.922 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 2.767 -20.923 1.833 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 5.688 -13.407 8.216 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 -1.236 0.695 2.439 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 12.587 -3.043 2.485 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 -32.035 -16.914 1.396 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 -3.649 -1.128 -0.335 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 3.400 -0.737 3.557 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 1.619 16.887 3.863 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 -4.173 -8.394 2.831 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 -1.734 -13.411 18.756 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 5.721 -19.006 -4.583 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 -0.722 -2.964 -2.101 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 -4.084 -12.854 0.446 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 0.764 13.939 3.672 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 -1.494 3.078 3.034 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 -3.497 10.613 -2.428 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 -0.851 5.137 3.350 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 3.449 4.328 -4.231 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 0.042 7.583 -5.895 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 0.529 4.243 -4.851 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 -5.050 -3.474 -4.775 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 23.891 18.214 -21.150 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 2.026 8.768 -15.119 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 -3.824 3.543 5.203 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 -9.618 17.548 -19.577 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 5.470 -20.249 10.833 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 -0.611 -3.503 -0.328 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 18.532 -3.615 -5.578 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 -4.684 -3.544 1.455 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 8.594 2.991 4.554 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 -3.856 -1.865 2.680 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 30.698 -32.648 12.966 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 -3.523 2.833 -2.245 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 -1.912 -9.608 2.161 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 -19.826 2.042 -9.568 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 1.072 -3.563 1.586 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 8.302 12.019 -4.741 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 -7.340 -10.132 21.906 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 2.263 6.863 -3.423 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 -14.024 4.367 6.023 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 21.567 12.434 -22.377 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 -3.822 0.528 -0.626 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 -10.622 -34.284 10.515 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 -6.327 -33.071 -9.857 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 11.322 -5.254 -0.415 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 8.002 -10.631 -9.469 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 7.118 -11.959 -12.241 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 0.557 0.738 3.199 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 -12.804 -6.321 -2.080 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 13.686 7.703 9.773 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 1.202 4.641 0.058 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 4.272 4.511 3.232 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 4.944 3.592 0.112 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 1.951 3.070 0.274 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 15.921 6.569 6.699 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 -0.777 -2.198 -3.992 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 3.127 -7.582 1.850 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 28.493 -16.511 0.336 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 6.299 -6.911 7.696 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 -0.586 -4.474 2.810 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 0.666 2.835 1.457 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 -1.190 -16.686 5.175 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 1.471 0.920 1.325 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 2.029 16.762 9.568 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 1.948 -22.481 4.412 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 -2.955 4.527 0.612 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 6.363 -22.020 8.001 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 4.540 -9.124 4.719 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 -0.161 -4.236 -3.534 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 -12.827 3.828 -1.675 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 -20.887 9.019 -0.409 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 0.791 2.124 -7.012 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 7.651 -9.716 20.624 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 -10.070 -6.665 -14.163 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 -1.571 1.593 3.807 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 10.789 31.613 5.451 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 9.178 -28.775 -3.859 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 4.372 6.372 1.780 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 13.730 -1.553 -13.339 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 4.990 11.199 -6.812 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 1.021 0.411 -0.380 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 -34.455 10.003 6.329 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 11.846 20.435 -7.670 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 -2.413 -4.870 3.313 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 4.125 1.196 -34.896 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 10.090 -6.126 -2.037 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 2.547 7.087 1.800 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 -14.336 8.709 -6.873 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 13.138 7.271 -4.247 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 -3.006 1.956 -6.428 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 -2.240 4.211 -8.625 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 7.291 8.705 -19.019 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 -3.310 1.246 3.795 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 9.604 -16.833 -1.671 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 -14.150 18.348 9.237 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 -0.971 -5.777 4.541 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 5.004 -34.357 27.620 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 30.373 -5.654 -4.223 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 2.762 -0.778 6.726 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 -1.504 -4.283 7.089 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 29.863 -7.527 8.754 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 2.891 2.777 -2.340 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 5.064 -1.797 -6.708 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 -9.070 -15.393 22.470 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 -3.410 4.457 3.191 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 -1.264 -15.308 -18.577 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 7.866 -5.066 6.089 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 8.954 -0.862 -7.126 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 6.891 18.318 -0.158 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 -5.336 6.977 -4.115 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 -1.535 -1.841 -0.784 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 -1.715 10.999 7.004 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 -20.606 -16.894 -22.944 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 -3.055 1.795 -1.365 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 -3.546 -5.390 1.459 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 -2.160 -3.547 -10.361 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 -1.794 2.593 0.658 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 -38.800 -9.470 -6.204 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 8.719 24.786 17.947 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 3.000 4.253 2.510 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 17.480 0.332 -7.506 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 -7.389 2.092 0.005 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 1.051 -6.809 -0.104 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 -1.076 -7.847 0.630 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 -21.940 -0.336 -5.328 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 -3.634 0.569 -0.030 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 -7.624 10.140 -35.159 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 6.199 0.266 2.335 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 -5.896 0.702 2.453 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 -2.214 -1.884 4.743 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 -9.918 6.314 5.059 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 -5.591 -3.430 8.374 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 -11.659 -3.219 4.255 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 9.618 -24.340 24.471 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 -1.225 5.402 2.758 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 2.013 -3.321 -0.153 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 -6.658 2.525 3.931 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 1.391 2.281 1.805 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 7.007 -1.990 14.605 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 -4.093 -15.901 0.671 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 -1.850 -1.667 -4.006 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 0.558 0.108 -2.067 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 -3.408 6.633 -7.057 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 9.512 -3.885 1.629 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 7.031 -16.992 -0.345 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 7.361 -6.648 3.648 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 2.577 -6.877 3.601 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 -4.767 -22.994 -2.005 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 -4.067 -23.310 -0.751 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 0.925 -4.109 -5.860 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 -12.905 -0.555 -3.790 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 -5.695 -2.348 -3.668 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 -2.707 -0.613 3.429 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 9.338 -16.909 40.668 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 10.702 -8.211 -8.742 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 2.383 -0.555 3.448 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 22.079 2.141 -3.001 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 -12.968 10.754 9.168 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 -5.635 1.084 -7.774 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 23.524 -17.982 16.857 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 2.065 -10.150 11.549 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 -1.879 7.821 3.848 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 9.251 24.744 12.588 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 -8.587 -7.238 -4.228 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 2.461 0.453 0.262 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 -4.995 -1.537 -26.588 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 -13.471 -16.524 10.934 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 -2.986 -0.698 5.595 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 5.492 9.682 15.780 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 2.638 11.143 2.201 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 -6.205 1.290 -6.323 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 -3.910 2.930 -17.338 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 15.447 -10.136 -26.320 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 -6.561 5.026 2.400 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 -7.197 -5.950 -1.369 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 2.572 7.223 7.647 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 0.609 -3.398 -2.906 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 0.889 -8.362 5.834 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 15.930 -15.604 9.620 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 -2.860 -2.947 4.117 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 -2.937 14.006 20.072 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 -9.354 -34.363 5.280 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 -0.992 -2.437 2.757 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 -8.945 -19.066 -5.368 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 -1.554 -1.808 5.944 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 8.437 2.799 2.295 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 0.957 7.914 14.251 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 12.691 -13.036 -11.515 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 4.946 -0.429 -3.476 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 0.117 13.387 20.214 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 8.208 11.215 -8.145 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 -2.824 -1.695 2.043 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 0.598 -10.648 -17.959 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 -10.705 -4.614 7.505 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 -4.471 -7.215 -0.276 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 -3.436 -18.538 -1.742 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 -8.463 -0.673 11.168 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 11.448 -4.976 -5.417 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 7.310 -10.383 -16.313 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 8.903 -2.794 -0.182 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 1.406 -0.640 -5.649 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 17.693 -8.871 -4.172 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 -12.037 -14.763 13.098 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 5.979 -6.127 -2.325 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 9.320 -6.807 -12.718 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 -1.122 2.734 3.835 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 -3.972 3.536 -2.452 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 -15.134 7.567 -1.498 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 -9.537 -0.337 -22.106 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 -0.969 -4.176 -2.330 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 -1.260 -24.903 16.251 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 -15.624 -4.216 -18.435 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 2.292 -2.591 -2.800 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 -0.000 -1.419 -2.110 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 14.161 -5.249 -8.184 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 0.542 -5.611 0.377 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 -4.993 12.304 9.759 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 -1.346 6.091 3.413 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 3.375 -9.909 1.976 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 -11.981 -12.886 -8.281 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 19.730 -10.995 5.369 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 2.835 4.447 9.743 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 -20.205 -2.739 2.678 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 20.383 11.510 19.761 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 1.690 -3.818 -7.185 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 14.985 15.269 -4.257 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 2.570 -17.105 -1.522 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 -3.408 2.727 6.965 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 -0.912 2.013 17.798 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 -5.024 6.275 -7.781 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 1.671 -0.402 -3.912 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 -7.915 7.325 -29.524 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 5.556 -9.138 16.727 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 -1.803 -0.352 -1.586 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 4.991 -17.043 17.865 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 -6.018 18.647 -21.068 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 0.888 -2.455 -0.697 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 -5.167 24.742 -7.576 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 -23.669 17.912 11.702 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 0.694 7.661 -0.002 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 2.340 7.079 2.904 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 2.798 7.983 2.896 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 -3.508 -4.481 -0.973 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 -19.506 -3.531 17.426 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 -0.636 -19.602 -1.387 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 2.854 3.565 1.599 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 38.106 -2.518 -9.405 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 -16.807 -17.308 -19.010 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 1.451 3.382 -8.092 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 -4.040 3.889 -11.862 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 7.228 -2.982 -8.244 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 -0.142 -2.212 0.379 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 16.989 -11.404 2.822 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 17.710 -1.562 7.648 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 2.939 5.279 -5.191 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 14.615 14.281 -19.548 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 -1.803 21.513 -11.920 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 -2.138 4.377 0.066 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 -2.529 7.714 -13.885 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 -7.628 -4.010 3.010 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 5.398 0.329 -3.020 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 -24.634 -0.877 17.169 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 27.267 -25.746 11.394 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 1.924 -0.777 -4.078 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 27.954 19.276 30.466 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 -19.633 -23.184 23.382 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 -6.257 -2.580 -0.033 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 -14.801 2.384 2.721 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 15.358 14.703 13.620 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 5.990 -0.510 -2.433 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 7.150 -7.507 1.669 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 7.430 -1.424 1.247 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 -6.094 -0.507 -4.493 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 -9.920 5.940 11.312 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 -4.777 -2.860 12.329 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 -0.948 5.522 3.983 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 -11.125 -2.576 5.629 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 17.794 21.116 -0.241 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 2.244 0.324 -0.429 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 5.568 -2.714 18.074 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 6.852 -3.208 19.714 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 6.788 -0.169 3.527 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 34.444 10.284 -18.975 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 0.809 -13.155 19.350 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 -7.885 2.098 -1.185 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 -1.482 3.367 3.097 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 -8.531 14.277 8.279 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 1.794 1.461 3.671 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 -13.119 -12.632 -6.079 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 -19.013 -8.509 3.771 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 -1.200 0.410 -4.778 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 -18.208 22.776 5.995 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 9.573 6.831 -9.387 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 -0.084 1.897 -5.875 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 -3.882 -3.491 -6.640 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 11.358 -11.015 -0.482 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 8.884 2.076 0.497 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 0.116 -0.137 18.126 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 13.624 1.114 -24.874 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 2.371 -4.894 2.174 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 9.011 -13.869 0.596 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 -4.329 15.332 -3.423 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 0.427 2.644 5.614 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 0.250 3.102 3.726 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 -4.179 -1.377 -4.498 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 -3.267 -2.843 -2.272 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 -9.723 3.534 -6.911 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 -0.149 -7.621 -3.241 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 2.354 0.310 -1.862 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 -4.116 7.420 -19.698 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 7.171 -7.581 6.907 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 -0.905 1.627 10.102 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 -15.896 -10.927 5.441 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 8.283 3.471 10.300 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 0.876 -0.627 -5.907 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 4.870 -7.619 -14.558 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 -4.629 -0.547 -4.563 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 3.487 -3.479 -0.385 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 -0.702 7.203 -3.209 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 -13.870 -20.334 2.822 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 5.469 -3.291 0.669 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 12.741 24.246 -16.839 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 10.019 -8.485 5.965 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 -4.206 2.151 -5.129 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 -4.682 -5.100 -3.460 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 -3.837 2.968 11.852 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 3.591 -6.992 0.689 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 13.802 4.132 2.299 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 13.177 9.608 -6.995 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 5.191 -2.730 -5.491 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 -2.012 -13.564 -8.580 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 -8.723 -10.466 -1.141 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 5.197 1.626 -2.960 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 9.166 7.283 5.348 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 17.163 12.596 -1.948 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 2.394 -3.422 -7.155 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 5.279 23.037 -20.182 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 -16.401 15.239 12.455 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 -1.363 -4.098 -7.887 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 1.706 -21.314 -12.377 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 14.890 1.001 3.951 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 7.213 1.568 -2.665 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 -8.567 5.433 0.976 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 -1.456 -1.827 -6.610 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 -5.502 -2.994 -0.283 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 -8.810 -4.432 -7.695 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 -9.517 -4.042 3.040 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 -5.862 1.899 -5.133 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 12.820 -6.638 0.733 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 -14.273 16.991 -17.045 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 -5.420 3.834 1.140 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 -5.541 2.103 -5.757 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 -7.201 6.777 10.445 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 -0.873 0.827 -6.961 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 5.604 -11.582 9.590 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 20.312 18.285 -5.333 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 -9.226 2.613 -2.080 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 2.637 -4.651 -16.967 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 -14.503 -4.400 16.557 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 3.133 -7.697 2.975 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 12.404 -3.955 2.929 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 -6.883 -10.336 4.399 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 3.981 -4.552 -4.678 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 9.405 7.107 9.027 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 -26.352 9.794 45.746 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 -7.951 -3.697 -6.430 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 -7.428 -0.540 -5.413 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 -6.409 -1.353 -11.579 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 3.623 -1.086 2.632 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 24.545 -37.968 10.020 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 -35.903 -2.254 -4.722 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 -1.974 -0.545 -1.977 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 -6.077 1.620 -3.484 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 -10.119 5.568 8.964 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 -4.918 4.654 4.211 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 26.531 6.310 -0.632 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 3.781 2.823 8.276 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 5.696 0.391 0.377 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 4.014 -2.081 13.227 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 7.312 4.509 -16.732 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 8.059 1.636 -7.290 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 23.503 5.964 -13.756 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 -1.318 10.988 -2.631 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 3.786 6.154 -4.621 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 -9.936 31.684 -10.703 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 -9.054 3.920 -19.748 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 -0.939 1.061 4.643 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 -1.202 -2.308 7.146 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 -7.024 12.083 9.223 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 -8.198 -3.920 4.849 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 2.091 6.613 -28.209 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 -25.537 -27.771 -8.897 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 -0.983 -2.188 3.834 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 2.274 -16.439 -6.803 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 9.850 3.488 -8.792 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 -0.184 2.359 -0.437 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 3.197 -7.576 -3.677 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 -2.133 6.001 0.695 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 6.797 -1.136 -3.857 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 4.699 -8.735 15.851 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 18.816 15.811 -13.217 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 0.968 3.750 3.627 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 -8.702 32.452 4.767 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 -38.824 3.305 10.082 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 1.380 1.725 1.021 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 4.683 18.060 1.454 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 13.679 4.555 -20.676 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 12.282 -6.654 1.869 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 -7.581 2.401 -14.513 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 5.681 -15.639 -2.110 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 1.093 -2.424 0.045 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 7.386 1.618 -14.135 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 -11.057 -14.856 14.151 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 1.632 -4.495 -3.775 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 -11.505 -43.614 -5.546 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 19.389 -2.838 21.592 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 -6.308 2.003 1.368 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 5.331 -29.794 -4.314 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 -19.517 14.015 -3.625 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 3.496 3.852 2.529 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 -18.371 6.827 2.230 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 6.769 -4.379 -8.486 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 0.363 -5.640 3.945 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 -21.159 6.990 26.831 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 23.963 21.425 3.440 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 6.456 2.592 9.605 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 -4.106 -4.000 8.445 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 -2.335 15.896 2.518 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 -2.303 6.436 -4.462 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 1.678 15.930 -16.323 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 -16.084 -0.026 22.839 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 -5.380 -1.975 1.678 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 -2.136 -3.164 -1.050 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 -15.146 -3.816 1.019 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 -2.007 2.724 6.036 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 -9.358 -13.041 4.483 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 -9.366 -11.570 4.217 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 3.288 3.966 1.790 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 1.430 10.090 -1.175 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 4.133 2.601 -12.051 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 4.535 -2.296 6.799 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 12.860 7.704 13.994 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 1.792 8.234 20.243 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 2.444 0.167 -1.484 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 -6.911 -27.516 -0.442 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 4.130 3.401 0.836 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 -1.168 0.517 0.750 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 7.030 6.410 -8.232 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 -4.386 9.094 -14.059 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 2.547 3.836 3.557 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 6.245 0.477 -2.443 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 2.455 -2.944 4.238 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 -5.663 0.799 -4.538 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 -21.664 3.788 10.492 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 12.694 -13.217 -24.009 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 -2.726 6.082 0.283 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 14.092 1.254 -19.927 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 20.235 1.514 8.524 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 3.688 1.626 0.956 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 6.829 -3.906 10.857 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 1.596 0.708 -8.015 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 5.019 1.507 1.821 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 5.152 6.616 6.199 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 4.182 -2.884 -2.911 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 1.313 -0.905 1.446 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 -1.904 21.081 13.893 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 -6.201 -9.159 -6.289 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 -4.909 -0.146 6.085 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 -0.596 1.646 10.976 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 -13.642 4.828 -3.834 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 -5.087 5.254 3.928 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 -4.713 2.247 7.542 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 -5.079 1.915 3.713 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 -6.382 -1.763 -1.572 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 -8.792 17.720 11.524 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 -5.207 -20.100 -27.765 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 1.777 2.782 4.163 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 -5.369 -0.152 -28.453 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 4.021 -20.176 1.157 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 2.955 1.087 -0.478 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 2.839 7.006 2.059 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 2.424 -2.974 7.216 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 -0.293 -3.690 4.318 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 13.630 5.017 17.642 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 21.006 6.962 -13.591 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 1.546 0.362 1.755 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 -7.101 3.107 6.480 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 -3.301 -2.581 -6.599 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 1.725 -2.163 -0.414 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 -1.735 10.550 -4.127 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 -11.097 9.425 17.999 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 0.623 3.736 0.596 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 3.410 -18.592 15.051 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 -0.996 -12.451 5.450 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 8.091 0.970 7.379 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 9.201 -14.391 -5.625 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 -6.329 -7.475 -6.194 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 4.032 -8.833 0.085 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 -19.106 29.608 0.331 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 13.962 -3.047 -1.471 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 -6.498 -5.316 -2.523 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 -2.963 -28.167 -22.109 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 16.075 -3.730 5.047 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 -3.343 -5.846 -2.239 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 -18.794 -3.863 -1.035 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 0.650 -0.693 9.372 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 -0.386 5.369 -2.863 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 16.438 -20.493 1.969 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 13.600 14.017 12.725 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 1.284 0.354 6.479 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 8.108 8.600 -13.007 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 8.873 3.943 11.680 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 9.919 0.143 0.204 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 -8.117 4.982 4.212 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 12.399 7.710 -23.750 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 -3.043 2.213 -1.432 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 -14.578 0.598 3.620 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 7.516 9.872 -12.402 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 -2.733 5.427 -1.047 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 6.547 2.184 -0.504 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 -6.744 4.970 -10.577 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 -6.216 -0.595 -5.762 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 8.036 29.309 4.470 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 3.644 2.615 7.411 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 0.788 -0.334 4.828 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 -2.586 -3.053 6.737 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 6.226 -0.180 2.119 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 -5.859 2.431 4.968 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 19.586 4.602 -14.602 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 12.837 -4.704 30.693 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 -0.386 0.335 5.728 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 13.241 8.790 35.982 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 -2.393 -13.320 -16.610 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 7.438 -4.461 -4.900 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 25.864 6.746 21.917 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 17.985 -4.271 10.186 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 -1.917 -1.628 2.972 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 -15.515 -24.472 12.410 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 9.838 37.131 -11.227 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 -0.251 0.813 -0.308 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 -3.449 -6.329 2.534 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 15.759 5.349 -12.957 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 1.298 7.105 -4.578 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 -0.261 10.395 -7.664 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 17.049 -2.563 -1.721 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 5.602 4.391 0.450 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 9.291 -6.161 -2.480 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 2.200 22.526 4.235 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 2.780 2.214 -1.899 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 0.387 -2.212 -1.092 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 -6.797 1.817 0.786 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 4.277 3.224 -1.824 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 15.276 22.391 -23.834 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 29.263 -0.296 8.872 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 -5.205 -4.418 3.124 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 -4.000 1.383 -2.739 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 -13.355 -12.104 13.511 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 -7.906 -2.712 -10.273 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 -18.159 -16.610 14.275 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 -24.609 -10.485 -6.497 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 -4.246 2.583 -3.637 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 5.294 15.071 5.544 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 -3.002 6.037 -23.267 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 4.075 -3.224 -5.056 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 11.390 0.115 -1.152 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 2.228 -2.614 -25.633 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 8.870 1.121 -1.864 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 17.310 -7.820 -12.521 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 10.514 12.085 -13.993 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 2.629 -0.473 -4.038 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 -18.406 17.281 -19.447 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 -32.259 17.719 1.828 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 -1.419 1.454 5.794 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 12.703 -0.123 -14.496 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 3.114 33.751 13.678 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 2.072 -5.404 0.309 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 11.154 2.301 0.652 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 -2.019 -9.957 2.118 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 1.340 -3.509 -8.828 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 2.009 -2.363 -6.153 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 7.656 -6.495 -13.366 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 -1.667 1.234 0.280 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 2.462 -3.230 -7.911 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 -14.347 14.542 2.607 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 -5.229 -5.220 -6.114 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 14.865 12.788 -17.940 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 11.750 6.740 19.611 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 -1.053 4.628 4.776 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 -2.568 3.722 4.099 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 1.521 9.461 -2.439 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 -1.308 0.926 0.157 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 -13.126 10.278 -9.908 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 6.224 -5.977 8.836 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 0.612 0.585 -1.195 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 10.548 3.794 -5.101 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 2.315 -14.449 -4.058 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 2.449 -5.048 9.383 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 -3.662 1.275 21.337 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 18.616 4.867 3.069 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 -3.351 11.089 -2.409 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 -22.863 17.813 3.535 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 -1.164 -13.520 -20.997 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 0.600 -0.059 4.169 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 3.078 29.281 9.723 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 1.044 -8.588 19.561 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 1.473 2.245 -0.486 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 -2.105 5.781 -0.151 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 -10.128 5.470 -5.783 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 6.727 -2.012 -4.980 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 1.953 -10.819 0.952 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 -5.305 -5.052 -2.065 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 -2.296 -11.438 1.069 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 -13.882 -20.380 -0.180 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 6.389 -4.162 0.612 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 4.759 -2.616 2.018 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 -0.755 -5.324 -2.222 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 -1.025 -14.788 -5.270 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 -3.540 0.868 2.666 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 14.975 -3.063 10.708 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 0.525 -10.411 8.360 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 3.719 -10.093 3.487 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 1.586 5.010 11.455 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 -2.440 -4.710 -12.615 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 -1.118 3.655 -3.280 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 0.750 1.564 -9.062 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 4.221 -0.861 -20.720 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 -0.895 7.754 0.759 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 -1.470 0.629 4.270 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 -27.654 -10.711 9.990 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 1.183 -1.793 -7.209 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 -2.988 7.004 -1.547 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 -10.891 -27.328 8.050 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 2.674 0.708 1.620 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 12.556 7.264 20.100 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 3.605 -17.707 3.264 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 0.552 -1.665 6.702 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 7.747 -2.960 -4.332 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 8.157 13.938 12.975 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 2.044 1.006 -3.543 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 -5.694 15.739 25.002 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 0.737 1.977 -0.849 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 8.278 -0.890 2.454 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 -0.864 12.620 4.693 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 -12.323 0.297 -7.241 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 0.622 0.527 -5.765 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 10.482 -20.246 -5.821 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 13.149 11.364 10.561 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 -3.313 -2.485 -1.581 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 -16.273 -13.703 -11.447 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 -9.427 -15.743 -20.120 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 6.328 3.593 0.114 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 1.615 -18.989 -9.062 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 -3.386 -19.070 -16.311 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 -0.527 -6.918 -3.299 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 8.510 -15.242 -2.166 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 -17.348 -18.723 -7.274 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 5.633 2.948 -2.593 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 0.217 3.054 -18.462 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 -8.899 -7.674 -4.559 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 6.046 0.085 -3.391 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 15.586 -5.688 -11.167 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 3.421 0.170 0.140 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 -4.896 -3.622 -6.203 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 25.512 0.094 -14.656 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 -37.421 8.667 -0.260 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 1.027 4.405 9.041 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 -8.399 1.773 5.940 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 -7.896 -2.427 -2.156 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 -3.175 -6.216 3.677 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 2.127 1.933 6.898 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 -31.669 10.996 18.033 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 3.441 0.045 -4.571 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 12.980 -5.550 -2.222 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 1.641 -8.851 -17.505 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 6.678 -0.166 -0.673 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 25.781 -4.411 -8.817 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 21.851 -4.671 -11.374 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 2.718 0.567 1.496 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 -7.176 3.818 6.095 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 1.630 -5.447 -6.906 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 0.620 1.441 3.845 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 0.735 20.956 -4.559 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 -4.177 -2.994 -1.910 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 -1.235 0.303 0.324 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 -18.682 5.958 3.711 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 -14.032 4.186 11.584 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 2.850 -3.715 8.703 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 19.281 6.236 11.027 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 20.764 7.522 11.321 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 0.800 -3.251 2.513 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 4.921 4.358 -7.155 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 -2.366 -14.892 0.996 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 0.735 2.515 1.053 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 3.448 -4.723 -13.412 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 4.053 8.034 -6.773 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 1.275 -0.995 3.982 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 0.951 -2.483 1.115 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 -3.932 4.891 16.716 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 -1.464 -3.872 6.456 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 10.561 -4.343 6.337 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 -38.254 -19.520 1.968 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 1.162 -5.342 -0.985 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 17.760 -8.281 -0.244 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 1.320 -16.932 -1.729 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 -2.210 -1.076 -4.572 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 -21.385 8.722 -24.282 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 -16.157 -1.185 3.393 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 -5.012 1.810 -1.017 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 3.386 -0.765 2.160 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 1.475 -5.805 8.660 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 3.647 0.949 -3.064 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 5.841 -0.273 1.930 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 -23.060 14.255 4.769 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 3.745 -1.756 -0.267 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 -1.981 5.943 -10.933 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 10.440 -10.825 -14.038 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 -5.450 -3.813 0.248 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 -10.296 -18.176 26.118 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 -19.955 17.935 -21.836 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 5.880 -4.374 -7.558 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 20.582 -3.107 -36.366 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 -4.892 28.762 -4.558 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 -4.976 -6.222 -3.407 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 -11.122 -7.414 -2.701 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 -0.750 -12.928 20.625 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 -0.159 -5.546 1.222 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 0.224 -1.707 2.445 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 -2.697 -17.366 -3.177 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 3.936 -1.184 2.255 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 9.268 15.535 7.843 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 20.444 -5.949 -7.960 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 -2.359 -6.440 3.465 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 -10.454 -11.412 23.309 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 20.655 -11.534 8.559 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 -2.030 -1.427 4.454 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 -2.098 -2.645 4.204 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 -1.738 -0.990 -4.247 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 -0.257 -1.596 3.396 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 -1.332 3.989 -1.694 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 7.282 -4.987 10.854 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 -1.831 -2.725 -0.822 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 -3.852 1.391 -0.155 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 -2.299 1.617 -3.676 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 -0.621 -2.542 -5.292 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 -5.875 -3.679 -18.290 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 2.330 -2.875 -4.447 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 3.746 -9.108 7.155 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 8.932 -6.635 2.845 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 -3.721 -9.970 8.222 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 -6.195 0.602 -0.219 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 5.926 -9.899 -5.564 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 -7.008 5.805 -7.107 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 -7.049 -3.885 4.221 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 -6.492 13.745 8.721 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 2.260 -20.872 8.756 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 -3.672 1.197 11.298 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 -1.400 0.309 5.595 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 -2.277 -0.294 6.457 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 -7.170 2.232 -2.694 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 -27.097 -4.050 -0.537 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 -4.673 8.584 12.668 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 3.874 -0.292 -0.302 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 23.028 -39.559 -15.766 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 6.397 11.898 -0.616 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 -2.797 1.070 -2.474 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 -7.382 6.531 0.055 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 -5.785 2.365 -17.177 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 3.701 -1.275 7.901 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 4.082 -1.950 10.537 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 12.225 3.072 10.807 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 2.421 -0.264 -1.469 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 -0.430 -14.671 -6.569 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 -2.900 17.304 2.509 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 7.880 -0.931 -2.254 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 -11.325 -6.549 20.103 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 -9.068 -2.042 25.073 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 6.357 -1.753 4.695 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 -23.691 10.931 21.267 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 25.850 -8.356 -4.091 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 5.817 1.537 -8.764 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 6.503 -6.493 -13.105 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 -6.043 24.272 -17.372 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 0.707 2.877 0.839 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 3.122 -4.438 -3.529 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 3.966 0.909 9.592 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 4.830 4.308 -3.389 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 17.636 3.255 13.711 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 30.901 -1.256 -2.192 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 -6.330 -4.928 0.495 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 3.733 -3.883 1.686 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 -8.742 -9.365 8.894 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 6.485 4.304 3.148 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 -25.978 -3.043 10.232 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 24.115 -3.953 -9.120 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 2.367 1.198 -0.847 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 11.665 -3.061 1.118 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 -16.461 4.110 -1.550 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 -1.781 -1.894 2.573 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 9.361 -0.754 -3.512 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 -22.937 -4.741 -2.538 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 3.210 -3.808 -0.857 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 11.442 -20.711 6.512 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 -12.149 -16.123 -22.468 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 5.140 -5.007 2.708 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 20.142 -24.659 24.053 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 -9.593 0.500 -15.929 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 0.842 2.272 0.121 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 -5.423 -5.116 9.877 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 6.132 8.883 -18.666 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 -1.297 -8.650 -9.236 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 0.185 -3.508 -20.007 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 1.773 -4.331 -17.180 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 -7.371 -4.306 -3.110 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 -6.697 -21.853 -11.605 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 -22.727 16.159 -1.374 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 -4.741 -0.016 5.644 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 2.132 1.370 11.021 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 9.169 8.446 -7.986 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 0.277 8.246 -3.739 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 16.702 -13.172 -3.163 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 -15.372 -12.597 23.497 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 8.105 3.157 -3.760 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 10.491 2.354 -6.781 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 7.461 33.666 9.145 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 -5.013 4.666 3.729 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 1.432 14.415 20.306 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 -2.370 -6.052 -6.099 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 2.183 -2.467 -0.395 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 -1.555 14.540 7.563 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 15.107 -2.721 5.328 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 -6.793 2.889 0.356 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 0.357 -5.326 -8.100 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 2.714 -5.622 -3.275 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 -0.702 -2.582 3.411 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 0.695 -7.867 -5.300 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 13.244 -4.791 -5.189 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 -2.247 6.987 9.064 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 4.609 0.988 -8.898 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 -11.079 -18.780 -18.414 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 0.167 -0.354 -3.166 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 11.187 -5.646 -11.278 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 6.015 6.144 3.999 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 1.482 1.112 -2.917 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 -1.331 25.981 14.593 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 1.689 -1.224 0.013 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 8.444 4.245 -1.055 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 4.130 1.432 4.225 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 4.689 2.061 3.854 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 0.084 -1.280 -4.243 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 1.278 -2.567 -1.982 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 -27.787 -26.458 12.945 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 6.767 -2.832 1.645 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 8.815 3.846 -7.682 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 -7.321 -1.389 -1.995 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 -8.073 -2.797 1.571 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 -18.421 4.911 -4.695 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 4.377 2.864 -8.857 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 2.123 2.281 -0.922 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 18.937 -3.816 6.667 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 -2.282 5.266 -2.899 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 -1.155 1.824 -2.325 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 18.945 -20.200 1.060 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 -20.857 11.531 21.000 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 -1.170 1.639 8.573 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 -2.422 -7.441 24.999 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 -6.390 -3.459 8.210 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 -8.285 -2.104 5.870 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 -0.027 -3.809 1.887 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 -13.214 -3.351 5.992 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 -1.066 9.250 5.471 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 -5.893 20.880 13.119 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 -12.419 6.407 6.166 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 -3.315 -0.040 4.882 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 4.610 4.284 15.058 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 -12.471 3.348 14.911 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 -0.911 -4.318 2.903 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 -28.211 -7.467 -18.106 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 -22.178 -29.333 -0.239 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 -2.506 -3.020 0.608 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 -9.619 -32.322 27.863 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 20.765 -6.720 -1.839 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 -2.159 -1.503 -0.381 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 14.963 -14.264 1.254 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 4.572 24.446 30.283 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 -2.305 0.630 0.333 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 17.946 -11.650 -5.553 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 -9.431 -4.727 10.909 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 -0.154 3.537 1.676 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 28.147 14.155 -6.483 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 -2.275 2.711 2.263 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 -1.156 -8.707 5.445 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 3.527 -2.886 -17.377 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 0.242 -18.907 -3.551 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 1.524 -4.096 5.839 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 -3.454 -7.449 -1.963 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 -6.408 0.145 5.880 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 1.543 0.274 -7.662 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 -11.925 3.225 4.492 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 -7.029 -11.054 -14.029 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 4.933 11.186 0.855 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 5.158 21.711 -17.219 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 15.477 4.928 -0.341 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 3.854 3.802 4.314 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 12.277 -0.311 11.141 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 0.198 -9.729 -18.615 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 0.636 1.870 5.352 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 -19.805 -6.209 26.814 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 16.250 4.551 -6.826 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 8.012 -4.291 -4.649 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 1.529 -4.242 10.685 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 0.245 6.933 -11.973 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 1.064 4.692 -0.495 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 -11.960 -0.324 -0.168 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 -8.254 3.944 3.618 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 2.402 -1.754 3.634 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 -1.791 -2.711 4.604 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 1.836 1.763 4.617 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 -5.215 7.233 1.039 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 1.134 33.485 12.750 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 25.141 -1.441 -3.757 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 4.335 0.695 -10.311 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 2.147 19.374 -14.766 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 6.991 -2.878 -5.206 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 -8.586 5.317 1.185 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 6.580 -13.327 4.297 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 -24.854 -6.331 -14.693 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 1.019 -5.105 1.281 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 1.445 2.058 -11.008 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 -21.104 7.078 6.111 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 -0.534 0.640 8.230 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 7.842 19.177 -0.648 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 15.035 -5.943 11.738 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 -0.958 1.062 -0.481 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 -6.492 11.290 4.095 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 -11.279 7.234 -3.331 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 0.316 -0.266 1.557 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 -19.467 14.359 12.080 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 -6.458 -19.796 0.406 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 -4.798 -2.806 7.530 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 -4.111 -16.525 -2.402 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 -2.516 -18.832 0.607 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 3.942 1.056 -4.900 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 -6.386 8.722 -0.689 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 -2.928 7.605 -4.921 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 -2.007 2.229 -0.558 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 -12.000 5.390 -11.454 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 -9.879 -19.308 -0.275 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 -3.643 0.701 4.572 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 -4.091 -7.044 7.122 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 1.282 3.519 -2.777 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 2.337 1.203 4.939 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 -25.227 -18.490 -0.735 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 -2.168 -10.834 -0.098 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 3.932 1.829 0.907 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 17.040 -20.988 0.808 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 -9.183 -7.683 -4.441 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 4.063 1.081 -1.646 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 0.865 6.625 -8.662 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 3.072 -7.443 -4.897 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 -0.779 6.373 2.567 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 22.955 -7.737 -23.030 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 -6.558 -5.114 4.099 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 -2.673 2.758 -0.025 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 5.700 7.451 13.278 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 10.175 -5.567 -8.911 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 -2.393 -1.960 0.879 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 -10.454 13.797 3.363 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 -6.998 7.646 14.414 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 -2.398 1.010 -8.528 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 -3.328 5.631 -12.674 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 -20.368 -3.878 -7.344 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 -4.008 3.316 -0.562 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 -1.922 6.599 0.195 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 -1.741 -3.981 -2.362 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 -8.094 0.746 3.409 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 -10.123 7.867 -3.874 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 -19.830 -6.053 6.128 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 -6.598 2.487 -1.297 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 5.396 10.968 2.796 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 -9.760 12.421 6.307 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 -9.422 -3.726 1.776 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 -0.038 -4.534 11.077 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 -4.808 -4.860 -4.551 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 5.110 -2.428 1.480 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 -7.487 2.488 6.718 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 3.129 15.393 1.581 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 1.460 -3.639 5.778 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 -4.755 18.392 11.782 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 17.170 -11.729 9.100 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 0.042 -3.644 4.226 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 -4.572 10.658 1.756 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 -2.185 7.221 -15.589 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 1.669 -1.593 -0.253 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 -9.185 8.069 2.234 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 19.395 -34.772 -20.261 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 -7.901 0.759 2.022 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 12.573 13.750 -15.738 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 3.195 7.619 -6.642 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 -2.818 6.551 -3.852 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 -23.338 -13.698 -9.907 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 -6.763 -2.102 -12.483 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 11.270 -3.651 3.320 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 14.077 -0.152 9.298 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 12.852 -0.620 13.796 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 3.930 -7.267 -3.462 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 10.967 17.035 6.604 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 20.004 11.757 -7.480 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 2.722 1.355 5.007 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 4.298 1.962 4.487 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 19.123 8.877 -5.499 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 -3.603 -3.110 -3.417 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 -1.978 -0.745 -0.656 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 -2.968 -0.007 -3.639 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 -2.100 -5.205 -5.849 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 -21.743 10.269 -5.736 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 15.598 2.698 11.712 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 -1.116 -0.357 1.336 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 -8.478 14.178 -9.666 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 -2.912 -20.242 2.292 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 6.379 4.261 -6.245 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 9.106 11.840 -12.577 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 18.816 22.162 -12.037 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 1.138 -1.607 -2.834 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 13.776 17.883 -15.427 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 -8.672 19.587 -0.373 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 2.289 0.413 0.461 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 -7.318 11.444 -19.464 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 17.433 -16.613 8.448 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 -0.370 -5.443 -0.855 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 3.637 -13.236 5.020 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 -14.302 -16.943 3.347 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 -4.237 -2.895 -1.562 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 -17.728 -11.295 -7.761 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 -14.319 0.426 17.477 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 -0.897 4.535 -4.929 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 -3.713 12.610 9.870 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 -4.729 2.880 -13.254 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 -5.115 -1.275 0.931 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 -13.631 -3.788 -12.293 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 -5.771 7.819 -7.518 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 4.410 6.514 0.608 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 1.856 5.698 6.417 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 10.371 5.465 -21.836 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 3.352 2.595 6.732 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 -21.578 12.763 3.147 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 15.328 -3.900 -6.453 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 2.913 -0.402 2.941 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 -7.774 -0.766 -0.013 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 -6.722 0.451 1.404 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 -1.187 -0.167 2.714 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 19.575 -9.699 6.039 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 -1.606 1.442 3.715 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 -5.237 -0.804 6.417 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 11.129 -22.397 -2.623 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 -8.050 13.063 15.517 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 -3.545 -0.057 -4.956 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 26.039 -4.337 -7.307 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 4.087 4.190 -10.549 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 -4.186 1.345 2.872 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 -11.891 -9.247 4.899 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 -20.373 -0.524 -2.817 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 0.057 3.449 -0.486 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 -4.841 16.182 1.566 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 4.860 7.154 15.348 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 0.712 2.983 -2.769 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 1.644 -17.236 -8.350 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 -1.182 10.880 -24.913 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 -0.475 0.312 2.403 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 -3.540 -25.809 1.500 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 9.732 7.954 31.591 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 0.701 1.965 -4.216 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 -15.400 -9.479 -2.619 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 1.716 2.390 -3.679 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 -0.532 0.355 1.642 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 -10.630 9.519 21.570 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 -4.923 3.698 7.448 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 -0.726 -0.253 -4.149 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 11.542 15.653 -19.387 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 -8.438 -19.993 -28.002 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 0.426 -4.061 -4.854 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 -1.795 20.701 37.990 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 -7.266 -24.653 -27.171 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 -4.740 0.004 3.837 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 -9.175 -0.034 4.106 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 1.414 2.878 -1.900 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 -0.559 -3.901 -3.134 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 5.443 -0.689 -7.805 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 -6.728 -5.855 -7.882 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 -5.403 -0.059 0.651 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 -6.715 -0.482 16.366 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 26.983 -1.709 9.879 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 0.436 -4.346 0.175 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 0.654 -5.912 -2.702 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 -23.335 5.507 4.754 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 1.211 3.610 2.457 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 7.430 -3.050 4.621 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 20.133 -0.734 10.028 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 -3.889 -1.556 -0.887 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 1.247 2.872 0.576 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 10.338 52.359 15.053 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 11.049 8.247 1.710 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 10.514 9.291 8.116 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 15.734 3.143 -1.409 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 1.457 -0.905 0.978 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 -20.034 -1.479 -5.694 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 -2.944 -11.209 1.607 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 4.571 0.077 2.932 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 10.229 -8.533 -1.564 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 -21.697 10.045 22.961 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 0.554 -1.725 -0.994 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 20.177 -13.029 -12.514 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 -0.945 15.952 -5.072 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 1.865 -2.636 -2.456 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 8.610 -14.453 -3.822 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 -23.578 45.958 -25.067 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 -9.865 0.446 2.428 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 5.196 9.128 0.346 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 -19.592 25.435 1.234 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 9.417 -5.443 5.281 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 2.552 0.592 32.698 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 1.569 1.840 3.896 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 -4.571 1.777 4.943 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 -6.329 6.047 3.196 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 -1.337 -9.245 6.588 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 -0.911 2.847 1.255 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 7.129 3.544 -2.904 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 -2.780 -5.305 -4.721 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 -3.288 -7.231 -4.438 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 -17.834 20.248 -0.953 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 -1.181 -1.669 3.353 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 1.311 3.742 10.601 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 17.551 12.641 21.124 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 4.693 -20.963 -5.653 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 4.468 -2.786 5.632 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 0.092 -6.432 -22.122 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 -24.996 -0.206 18.531 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 -1.285 -5.987 0.415 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 -4.543 1.108 -6.868 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 7.202 -12.751 5.676 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 -5.740 2.108 0.697 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 -0.458 7.538 -3.762 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 -6.563 -14.229 4.315 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 1.439 4.184 1.334 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 -1.064 -2.457 -6.537 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 1.223 -2.014 -9.615 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 2.279 -0.295 5.600 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 -19.342 -10.105 10.124 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 9.229 -34.583 20.517 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 0.397 -5.136 5.577 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 -7.478 -7.649 10.610 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 -9.786 -7.840 7.927 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 -3.064 -7.792 4.598 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 1.219 -8.706 -13.974 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 12.369 -6.541 13.587 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 -0.374 1.485 -4.877 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 -6.428 0.039 -6.167 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 -6.443 -1.135 -1.587 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 -1.266 1.891 2.433 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 0.734 -3.142 7.637 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 0.476 -2.892 6.408 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 11.367 10.065 -0.771 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 -7.971 40.683 11.017 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 -5.947 14.842 -1.654 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 10.193 4.942 -1.480 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 -4.386 -1.650 -11.024 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 22.375 10.388 -0.216 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 3.083 6.058 -8.407 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 21.443 -10.367 -8.913 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 1.949 0.887 2.432 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 3.170 7.932 2.712 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 19.126 -5.570 -0.513 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 -12.367 -4.614 4.445 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 1.412 -0.240 5.852 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 17.287 -10.784 -11.910 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 -0.638 -9.370 -4.167 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 -1.236 -0.793 -6.467 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 4.267 -13.161 -7.649 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 -5.178 14.294 -3.461 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 0.444 1.459 1.909 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 0.339 -13.053 4.764 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 -12.337 10.151 3.397 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 -0.498 -10.871 5.823 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 -32.220 -7.486 16.397 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 -21.675 0.497 32.647 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 -1.675 -1.232 12.377 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 4.386 0.855 11.352 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 -5.881 8.220 -2.939 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 -8.679 -0.508 -5.238 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 -13.205 -7.260 0.894 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 -0.278 -2.140 -5.391 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 1.110 -4.698 -6.662 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 11.858 -16.340 -3.541 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 -22.573 15.791 -15.566 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 9.294 -3.048 3.094 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 8.016 -20.174 9.737 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 14.791 15.297 -23.144 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 3.074 -0.809 -2.992 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 -5.574 -9.353 10.702 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 11.169 -8.054 -11.213 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 -5.926 0.404 2.684 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 -0.104 -17.183 -2.038 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 -4.517 12.083 8.982 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 -2.226 -2.932 -0.056 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 8.850 6.466 -1.688 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 -14.450 -14.411 -1.086 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 2.556 2.130 -1.366 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 2.497 6.592 -0.580 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 19.327 0.815 -9.442 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 1.221 -1.602 0.987 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 -22.173 1.338 11.170 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 0.663 -29.048 -7.388 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 3.334 -1.393 -1.659 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 10.943 12.661 -11.505 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 19.598 -19.531 -10.282 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 -1.233 -1.419 4.974 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 -11.228 9.214 1.399 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 -6.107 -8.794 18.441 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 2.496 -2.357 -1.677 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 0.607 3.580 -12.829 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 -2.051 -15.084 -7.764 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 5.545 -2.656 3.280 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 10.451 -11.661 4.750 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 8.344 26.848 -16.033 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 -1.289 1.224 -2.384 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 -13.621 -5.858 -12.598 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 -2.348 -21.950 8.658 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 -4.503 -1.548 1.348 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 -7.486 1.495 1.625 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 -36.935 20.416 5.226 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 -5.533 -3.708 -5.530 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 -4.497 16.582 17.103 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 -12.310 -9.480 -0.652 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 -1.359 -1.905 0.083 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 8.006 -4.845 -2.383 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 28.907 -15.198 4.099 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 4.089 -6.477 -2.657 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 -22.189 14.812 1.154 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 7.855 -2.829 -24.027 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 -0.065 -1.811 4.987 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 20.607 -2.781 2.827 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 1.795 4.059 -2.861 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 -1.251 2.009 8.669 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 -4.285 5.197 2.468 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 2.606 -15.947 10.991 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 -0.010 2.642 0.142 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 -10.840 -0.063 -3.622 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 1.345 2.715 -3.182 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 4.395 0.065 -3.964 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 6.432 8.615 -5.666 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 -18.006 -14.448 16.890 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 2.511 0.300 -7.526 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 -21.688 18.110 -3.195 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 -11.543 14.442 -4.500 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 2.020 5.138 -2.643 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 -14.431 3.196 8.249 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 26.095 -9.880 -7.905 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 -4.574 -2.218 0.940 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 -9.011 -1.763 -5.828 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 -0.859 4.893 0.303 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 -3.086 2.616 -0.817 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 -14.007 -12.991 -19.757 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 3.052 10.523 3.712 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 -0.477 -3.553 0.074 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 -5.792 -8.388 4.495 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 -0.233 21.961 -0.201 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 -6.594 1.475 -5.440 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 13.414 3.720 6.974 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 3.667 -11.765 2.959 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 -2.199 0.609 -1.884 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 1.680 -5.421 0.567 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 -2.693 1.955 -10.224 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 -3.628 -5.917 3.285 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 -5.712 -2.785 15.526 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 -0.604 -8.890 -14.240 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 0.239 1.507 -2.874 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 0.938 -6.831 16.534 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 14.205 -5.234 -13.755 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 0.694 -2.151 5.014 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 -3.291 -2.055 0.337 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 -4.484 5.936 0.280 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 5.504 -6.362 1.178 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 10.097 -12.687 -4.770 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 0.831 10.437 -5.691 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 -0.930 -1.040 -0.235 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 4.566 8.423 -10.494 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 3.405 -4.345 -8.168 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 -4.173 -0.990 2.338 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 23.612 7.244 6.871 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 10.892 -5.697 0.841 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 3.387 3.164 -2.464 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 -17.601 13.836 11.644 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 15.958 -2.576 3.958 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 0.216 -4.902 4.524 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 -4.744 -14.604 8.298 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 4.614 -29.762 -3.065 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 -4.842 8.853 -3.470 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 -7.659 7.500 13.460 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 -1.164 5.739 -14.945 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 -5.532 1.997 -6.628 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 -13.027 1.451 -2.320 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 -1.705 8.156 -10.745 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 1.639 2.963 -8.445 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 5.936 2.621 -11.334 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 -2.553 5.400 -8.988 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 0.993 1.076 2.299 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 14.597 14.218 35.641 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 26.897 -24.633 -10.809 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 4.252 -1.316 -5.995 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 3.928 -12.591 -0.535 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 5.858 -3.923 -18.858 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 0.582 -3.558 -4.807 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 20.723 -2.701 14.203 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 16.714 -1.820 -4.561 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 -2.520 -1.087 4.540 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 16.031 -16.415 -4.783 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 -29.735 -4.338 1.693 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 -0.621 1.855 2.160 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 -14.443 20.349 -11.686 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 -8.662 -24.054 1.434 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 -2.491 5.829 -3.283 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 31.963 -17.213 -15.353 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 -9.007 9.504 -1.245 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 -1.452 0.912 -1.774 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 22.943 -22.104 -16.958 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 9.004 2.166 -16.417 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 0.064 -2.406 -0.931 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 0.832 9.767 5.453 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 11.734 -8.777 11.696 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 -0.078 2.331 -1.801 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 -0.252 3.003 -0.022 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 0.801 -0.461 -12.224 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 -0.096 2.275 -2.163 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 -11.449 -17.740 -1.411 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 7.669 17.546 -2.020 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 -4.890 4.344 -4.303 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 -8.267 9.048 -8.312 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 -9.259 5.228 -2.229 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 -1.271 0.407 -2.098 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 -11.205 13.799 4.726 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 -10.536 14.226 2.141 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 1.832 1.682 0.188 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 -3.148 -28.083 19.374 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 -19.695 22.334 18.997 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 3.177 0.138 -1.043 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 0.536 8.345 10.395 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 0.361 8.092 -5.699 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 -2.111 -1.917 3.435 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 -2.887 -23.296 3.066 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 -1.291 12.722 6.857 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 3.540 0.185 0.889 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 -4.273 -6.799 -7.346 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 12.273 -7.435 4.588 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 0.081 -6.710 2.870 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 19.447 -2.535 4.252 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 -1.359 11.310 13.343 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 -4.942 -6.275 -2.276 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 -6.328 8.306 3.664 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 -19.432 -15.035 -27.957 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 -2.747 -0.272 2.074 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 0.549 1.759 5.667 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 14.417 4.287 -10.548 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 -0.754 -0.413 3.720 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 10.560 27.346 -8.083 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 -10.705 -15.219 5.798 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 -0.298 -2.036 6.583 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 -2.580 11.782 2.608 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 28.169 -18.061 13.426 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 -2.344 -3.559 6.129 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 -1.809 1.766 11.321 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 -0.075 12.453 19.754 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 0.657 1.460 0.161 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 2.053 3.600 -1.871 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 -3.965 -2.446 4.603 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 -0.226 5.781 -6.977 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 12.448 21.553 7.152 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 -2.969 4.498 0.383 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 -2.326 2.455 4.462 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 17.339 1.464 2.541 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 -1.169 3.410 13.467 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 1.765 -9.030 0.431 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 2.630 -12.381 -4.262 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 4.494 -8.214 -16.846 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 3.423 -0.536 -0.914 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 1.678 1.928 -3.246 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 3.943 -1.219 0.194 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 -4.237 6.853 2.183 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 -8.556 5.718 -12.945 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 -13.260 -1.809 11.636 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 -1.912 -0.131 -4.898 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 -8.131 15.180 -11.400 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 -2.468 2.175 -5.541 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 -1.380 6.732 -1.804 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 -11.197 7.237 -0.467 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 12.044 -9.307 3.592 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 -0.380 4.294 5.804 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 -10.686 1.889 1.764 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 3.798 0.981 10.397 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 5.957 -5.205 -2.148 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 22.940 0.974 -20.458 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 18.027 -3.263 -42.790 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 4.218 -0.416 1.098 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 17.872 12.071 -35.045 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 -12.427 -14.695 18.341 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 -2.026 -6.107 4.942 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 -9.687 -7.971 2.110 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 20.752 6.538 3.682 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 -4.277 1.958 0.745 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 -4.420 2.656 -13.998 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 -10.758 -8.812 15.773 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 6.482 -0.734 0.580 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 -4.984 2.124 -25.463 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 17.875 -3.670 4.948 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 4.902 -1.330 -2.596 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 21.146 24.975 9.741 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 -11.449 3.649 -14.427 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 -3.379 -4.778 0.310 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 12.163 12.886 2.402 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 -13.771 -9.984 6.534 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 -3.004 1.285 4.417 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 -11.644 16.633 10.098 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 16.730 8.825 -0.876 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 -0.715 2.661 -2.789 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 26.413 5.684 -2.725 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 -0.370 -31.544 -4.677 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 2.111 2.032 -6.626 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 9.829 4.936 -20.071 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 11.135 -4.515 -0.855 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 -2.920 -1.120 -0.763 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 -8.370 -0.550 -2.565 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 6.981 -5.963 16.765 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 -0.025 4.085 -0.725 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 -12.509 -26.303 -4.869 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 21.712 12.985 -6.655 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 -3.933 0.843 -4.408 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 -3.141 -2.206 4.149 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 11.940 -2.409 -1.430 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 4.777 -3.345 -1.022 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 -0.311 6.931 4.579 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 17.940 3.350 12.162 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 -2.299 6.464 0.932 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 13.222 17.913 -10.173 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 -24.168 2.403 -3.206 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 5.701 -0.864 -3.265 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 10.148 -8.016 10.050 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 14.339 -14.782 -2.910 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 -2.877 -4.086 3.035 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 -5.510 7.948 9.647 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 2.266 -11.527 3.571 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 4.949 2.963 2.431 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 9.820 -2.391 -12.626 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 -8.180 11.839 21.771 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 0.684 -2.141 -1.424 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 1.470 -2.533 -1.511 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 8.259 -5.762 -1.600 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 -0.228 -7.746 -5.669 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 7.904 4.026 4.717 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 -4.433 5.831 -3.929 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 -0.132 9.130 -0.293 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 2.225 -5.148 -4.360 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 3.955 -11.931 -10.628 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 -6.582 7.058 -6.648 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 9.937 18.906 -25.517 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 -15.540 -0.875 1.239 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 -11.172 -7.418 1.681 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 1.700 -14.293 1.884 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 -12.109 -4.571 -5.188 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 -3.444 -6.607 -1.487 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 -1.390 -7.356 -12.454 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 -8.377 -5.556 9.913 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 -5.649 -2.971 -7.403 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 -6.021 4.157 -10.056 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 -1.519 -4.568 1.927 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 -0.703 -1.156 -3.988 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 14.099 -4.486 10.067 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 -9.934 -19.425 36.904 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 6.647 6.715 -4.792 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 4.735 -5.146 9.967 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 -8.266 1.523 -21.106 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 2.369 1.869 3.946 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 7.414 -9.456 2.686 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 4.794 5.933 14.721 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 7.599 -2.633 1.503 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 20.229 -2.206 -14.296 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 14.987 -15.484 11.851 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 2.761 -3.606 -4.546 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 -28.806 -3.432 -11.239 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 0.689 -0.782 22.884 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 3.075 -1.354 -1.730 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 -12.555 -15.224 -7.223 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 10.805 4.289 -2.785 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 3.980 -1.696 -4.251 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 -12.034 18.038 0.604 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 38.683 -6.782 -14.821 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 3.278 -3.226 3.981 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 -0.971 4.918 28.944 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 -7.078 -7.812 7.342 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 1.886 1.006 -0.314 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 19.114 8.905 13.163 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 -21.317 5.292 -18.455 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 -2.210 5.095 0.836 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 -19.954 0.331 14.319 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 27.221 9.996 2.361 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 9.801 1.422 3.486 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 25.887 -24.460 11.158 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 35.260 15.326 -9.387 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 -2.606 0.536 5.097 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 -2.784 7.382 14.936 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 23.651 -8.201 8.122 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 3.613 -3.220 -3.414 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 1.377 -2.325 8.233 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 6.442 -6.632 -1.917 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 -5.480 -0.850 -2.039 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 0.293 -16.497 -18.498 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 -3.097 -11.189 -22.114 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 4.707 3.740 0.119 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 9.832 -14.904 12.699 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 6.550 -7.370 -1.972 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 -2.072 2.819 -0.594 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 7.069 4.162 9.958 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 -4.607 11.842 -2.886 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 0.960 -7.141 -0.331 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 -6.214 -15.513 5.353 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 -17.245 -9.116 -0.441 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 0.767 5.709 4.844 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 22.573 15.682 -17.816 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 -2.119 -29.803 -11.420 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 0.280 -0.137 3.327 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 15.380 12.759 -2.674 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 15.982 0.500 5.500 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 0.598 -2.291 1.970 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 10.530 -9.828 4.968 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 11.485 4.890 -10.320 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 2.537 -3.116 -0.283 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 15.446 -13.898 21.367 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 -6.201 -2.998 2.549 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 3.587 -4.958 -8.390 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 -4.639 -1.945 -17.017 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 -7.531 -5.010 -11.741 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 -0.295 -2.639 4.208 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 37.309 6.057 -12.541 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 -22.781 7.223 0.020 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 4.019 -3.072 4.203 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 -9.356 -0.672 -10.454 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 27.905 -10.846 22.986 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 2.149 -5.451 -0.078 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 1.582 -6.851 3.703 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 -7.916 -4.683 11.149 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 0.585 3.195 1.673 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 -25.938 19.214 -30.432 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 18.743 -19.289 10.510 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 -2.318 3.211 -4.634 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 9.340 -13.170 15.363 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 -8.798 12.931 4.621 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 -1.826 7.134 -5.215 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 7.508 0.939 -0.136 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 -12.896 0.307 3.592 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 3.582 1.144 -4.908 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 4.003 0.881 -1.430 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 -8.179 16.606 -16.567 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 5.865 -5.552 1.136 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 -12.852 -13.854 -13.815 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 12.091 9.637 9.577 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 -2.073 0.758 5.136 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 -2.050 -5.460 13.808 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 1.565 -13.804 21.085 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 7.958 -4.153 2.336 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 10.302 -15.101 -1.349 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 3.965 4.702 -8.080 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 7.116 5.495 2.256 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 -25.595 23.988 -24.964 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 -3.960 11.498 -7.270 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 4.532 6.390 0.382 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 24.530 13.802 -14.281 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 -1.669 1.289 -2.962 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 1.131 -3.335 -4.574 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 -11.969 -13.862 12.302 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 8.400 -12.917 -7.061 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 -3.418 1.107 -2.989 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 0.478 -8.874 -1.520 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 -10.752 5.019 -0.696 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 8.677 3.906 -3.360 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 16.134 8.498 2.692 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 26.933 -2.257 16.201 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 -3.742 -3.125 -9.287 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 12.409 15.292 -12.612 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 3.487 -10.774 7.369 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 -7.913 -4.465 -3.607 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 -10.226 -7.634 -3.593 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 -7.452 -12.320 -0.180 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 -0.279 -7.948 -0.146 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 -3.135 -14.560 5.193 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 1.847 0.356 -4.763 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 -0.197 5.247 -0.440 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 -2.548 3.898 1.741 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 -0.356 5.422 1.404 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 -0.638 6.355 1.394 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 -8.999 13.684 5.251 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 -19.685 17.372 10.760 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 0.045 6.440 2.290 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 3.310 7.683 2.243 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 1.040 19.727 -14.056 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 2.532 9.024 1.463 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 3.145 -1.327 -11.950 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 -4.508 -12.956 -24.808 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 -3.008 6.208 1.792 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 12.726 22.797 13.286 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 20.214 -3.839 -4.202 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 3.650 -0.118 3.185 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 -6.192 -4.684 0.919 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 6.007 8.159 4.209 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 -4.679 -1.759 -6.367 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 -12.707 -9.077 -14.868 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 4.644 -5.377 -4.270 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 9.602 2.913 -3.400 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 13.683 8.108 -14.433 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 -15.122 -13.776 -6.630 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 1.673 -4.586 -2.899 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 4.326 3.685 3.364 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 -4.239 -2.187 -0.269 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 2.130 -4.715 1.657 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 -0.036 -11.001 -0.085 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 1.255 -14.365 6.436 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 -3.773 0.354 7.606 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 6.674 -4.105 10.389 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 12.933 -7.287 12.241 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 -1.922 -0.947 6.803 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 -2.945 -3.128 7.647 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 11.048 18.724 -6.304 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 -5.698 1.998 -3.090 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 -17.677 -10.284 -11.048 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 2.853 16.014 -20.216 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 -4.140 1.604 2.801 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 -2.565 -6.964 7.258 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 6.571 4.381 -6.902 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 10.983 2.563 -4.506 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 17.343 27.074 -6.725 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 -13.368 3.376 2.739 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 -3.467 3.570 2.096 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 22.252 6.249 8.268 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 4.684 4.997 6.867 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 2.957 -0.373 8.106 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 1.148 -3.195 6.006 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 0.856 1.928 -3.926 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 3.635 1.608 0.725 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 12.661 17.134 19.488 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 1.614 19.646 8.843 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 3.168 -3.230 -0.044 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 2.643 -2.364 -20.287 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 9.298 -9.073 -10.452 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 -3.447 4.955 -2.004 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 36.188 -4.364 -14.189 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 -18.191 -4.266 9.398 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 2.279 -3.939 -1.537 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 -3.326 11.557 -2.095 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 6.269 -16.795 5.064 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 5.385 1.105 -5.904 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 3.325 10.093 7.292 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 28.622 -4.670 9.834 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 4.714 -1.287 -0.879 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 -11.466 -3.355 -5.880 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 19.377 3.523 -17.170 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 -2.151 0.846 2.524 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 -1.705 4.861 3.163 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 0.216 3.575 17.273 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 -6.216 -7.476 -0.208 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 12.788 1.435 -8.908 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 5.167 0.458 -8.950 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 5.000 -4.615 6.825 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 5.386 -10.572 17.346 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 4.454 2.333 6.391 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 -9.122 -3.374 1.477 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 -10.522 -3.759 1.682 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 -23.556 3.483 -5.288 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 9.261 2.862 -8.364 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 5.766 1.924 0.758 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 0.880 -1.549 16.259 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 1.519 1.404 -0.979 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 10.810 -6.995 7.302 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 -12.465 -5.346 2.119 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 -1.493 -2.634 6.140 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 3.980 1.347 8.602 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 1.468 11.672 -5.039 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 2.533 -4.239 -3.590 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 3.571 -1.230 -1.634 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 2.501 -9.319 -0.658 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 -0.628 1.516 0.672 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 4.867 -0.772 -1.171 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 -1.986 0.939 1.483 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 0.750 -2.054 7.180 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 -1.815 -4.550 -31.185 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 9.978 -28.316 12.935 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 2.577 -3.501 -3.892 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 -4.935 -10.102 -13.325 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 14.578 5.538 -13.154 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 -2.972 5.442 -0.373 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 8.341 -17.882 22.922 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 8.500 4.168 9.434 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 3.740 -5.828 4.730 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 5.845 8.788 -7.940 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 -4.614 -19.203 1.979 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 3.427 -1.752 1.589 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 16.765 -16.207 -11.262 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 -21.734 -6.381 -1.442 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 -2.398 0.771 1.446 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 -4.450 -8.712 -1.885 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 -18.482 -8.471 6.034 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 3.628 5.602 -6.638 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 13.695 -6.791 -6.752 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 13.561 -17.072 4.491 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 -3.919 -0.407 -4.456 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 21.801 25.678 -10.148 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 -15.751 -10.154 -2.755 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 -3.292 -1.073 3.768 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 -16.039 -7.263 6.349 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 -18.046 2.393 -2.474 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 -1.898 -3.144 8.127 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 -2.769 -6.212 11.924 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 -7.703 -12.714 -1.237 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 3.435 7.801 2.956 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 25.698 4.346 10.262 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 14.551 10.606 4.675 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 -0.403 -8.180 -4.274 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 18.895 -12.980 -23.191 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 -7.862 15.926 -3.172 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 5.492 -1.320 -0.025 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 0.549 2.757 -11.776 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 -6.252 7.109 -42.901 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 -2.271 0.076 -5.128 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 20.353 5.347 -6.829 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 -37.888 -1.473 -7.453 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 3.622 -5.969 1.440 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 13.963 -4.726 -0.973 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 -8.092 -9.715 11.840 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 3.975 3.174 8.236 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 -0.493 2.229 24.905 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 -6.595 -4.329 -4.472 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 -1.853 -0.367 -1.829 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 11.272 -6.825 -2.979 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 9.757 5.183 19.631 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 -2.154 8.343 -4.649 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 -8.936 16.272 15.595 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 -11.277 30.976 2.333 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 -6.549 0.153 -1.366 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 29.860 5.365 7.627 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 7.760 2.539 -13.515 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 2.213 -3.007 -2.117 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 4.295 -3.381 -4.445 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 -0.728 -4.801 -2.653 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 1.404 0.290 5.283 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 8.144 7.318 16.825 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 -15.779 4.755 5.095 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 6.262 1.432 -1.112 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 19.701 6.366 11.283 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 12.517 -9.756 -21.521 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 -7.043 2.654 -0.039 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 -12.350 -2.383 -13.943 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 32.939 13.189 -14.319 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 -1.575 -3.975 -4.505 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 -5.345 -12.671 -9.476 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 13.615 -11.100 -15.749 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 1.255 3.256 -0.356 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 -24.423 12.977 -9.145 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 -4.006 4.116 -2.751 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 0.320 7.402 1.452 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 1.930 -4.667 26.219 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 25.998 0.731 -9.969 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 -2.714 3.085 -1.323 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 11.003 -6.171 -40.320 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 5.188 30.104 20.305 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 -2.783 0.274 -1.100 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 -14.320 4.498 5.414 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 15.135 -1.474 -9.998 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 6.148 2.699 -5.203 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 6.857 0.196 -7.345 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 7.678 0.320 -5.600 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 0.640 -1.063 1.271 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 15.404 -21.237 6.302 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 -19.312 -11.013 -11.900 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 -1.638 -3.292 0.290 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 9.119 -10.319 2.258 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 -7.852 0.183 -0.962 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 -2.252 -0.805 6.255 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 0.997 21.048 11.342 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 -13.396 -22.130 21.086 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 6.923 0.889 1.912 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 8.771 5.517 9.794 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 2.960 5.101 2.834 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 -2.056 -5.015 6.669 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 -19.220 -22.874 7.346 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 -24.294 9.526 8.349 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 -4.017 -1.529 0.504 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 -0.160 -21.162 -5.822 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 -9.879 24.247 8.260 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 4.503 -2.268 6.638 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 2.459 -1.142 2.607 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 0.063 12.312 -8.280 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 -3.108 1.189 -3.927 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 1.828 5.379 -6.950 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 -7.334 -3.896 -3.228 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 -7.784 -5.026 7.184 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 25.388 -23.039 -6.825 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 -19.670 10.741 20.398 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 -1.915 -2.709 -2.430 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 -0.461 3.866 -9.878 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 -15.869 -8.781 -2.474 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 1.937 -11.901 -1.003 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 2.013 -18.899 -3.721 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 1.801 23.040 12.778 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 7.254 4.353 7.543 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 8.236 -8.615 -6.100 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 8.911 -0.228 2.432 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 -0.955 -5.817 0.134 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 -6.770 -23.771 13.551 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 -18.738 4.016 -10.164 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 -4.698 -2.968 -5.631 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 22.412 4.890 6.116 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 -34.650 13.032 -18.256 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 -6.548 -7.668 3.216 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 -7.092 5.095 10.988 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 14.433 10.425 -6.114 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 1.893 -1.079 -5.805 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 5.459 -4.605 -3.633 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 -15.895 4.751 -8.194 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 -1.451 -3.404 3.181 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 -0.472 2.757 0.480 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 -8.132 20.017 5.755 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 -3.282 2.781 -3.732 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 -2.599 -8.949 18.521 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 10.615 0.328 -4.304 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 -0.777 2.704 3.470 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 -6.548 -10.626 11.059 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 5.835 2.430 -4.288 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 7.684 -7.015 0.374 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 31.814 0.670 -9.757 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 8.285 -5.098 -0.098 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 -1.798 2.544 6.378 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 8.732 8.348 -11.305 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 -0.017 6.699 0.673 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 -2.689 2.516 -3.807 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 3.402 11.313 9.903 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 6.543 5.163 0.251 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 -2.117 0.780 2.595 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 7.094 -1.264 22.367 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 -27.693 24.881 -12.336 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 -1.665 4.379 -1.465 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 25.042 -22.028 -1.081 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 19.311 9.497 6.738 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 2.752 0.560 -0.045 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 4.000 1.561 0.338 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 -0.270 -3.157 -4.702 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 -3.114 5.272 8.616 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 -18.566 10.126 2.691 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 0.921 -17.439 -15.515 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 -7.110 -4.158 -3.262 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 0.459 7.031 1.793 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 1.913 -20.751 -10.047 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 4.634 -0.881 -0.132 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 -10.353 -12.224 17.990 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 10.356 2.635 -21.217 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 7.918 -2.984 -2.026 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 25.372 -0.558 2.221 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 -19.950 -4.811 -37.998 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 7.057 -0.881 -0.531 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 3.140 14.180 5.682 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 4.457 -25.847 -12.336 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 0.440 -0.488 8.149 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 -16.532 0.415 -23.324 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 -14.090 3.986 -12.934 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 6.070 8.627 0.526 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 -2.005 19.747 3.907 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 7.703 -16.757 19.979 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 2.292 0.803 4.977 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 -0.667 -0.454 16.120 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 7.584 -6.479 1.569 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 -5.679 -2.023 -2.063 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 2.397 11.180 -1.572 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 1.007 6.995 -4.378 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 4.618 1.533 6.347 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 4.388 -12.446 11.594 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 4.177 2.608 3.332 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 -1.977 2.913 5.181 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 -26.654 18.425 5.431 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 20.512 8.312 35.086 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 -3.372 4.019 2.379 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 -4.171 8.031 -3.554 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 -8.028 3.133 1.940 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 -3.920 -2.513 -6.025 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 13.851 0.158 -11.815 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 -15.920 -14.545 -20.091 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 -0.625 2.258 -0.650 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 2.063 13.880 -7.792 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 -10.917 -17.050 -4.863 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 4.355 -0.943 -1.196 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 -10.058 -14.663 -1.243 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 -11.196 -4.056 -4.173 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 4.727 -2.099 -2.668 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 5.149 -12.261 1.016 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 -21.056 -8.873 -12.492 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 -2.663 4.524 -1.983 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 -8.491 -3.767 -1.517 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 -12.024 -13.562 2.276 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 3.510 -4.411 -2.046 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 -6.950 17.003 11.689 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 -5.063 6.352 11.890 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 1.442 -5.578 -1.188 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 -12.877 -13.576 3.696 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 15.247 -0.738 -5.162 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 6.677 -0.832 4.238 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 -0.879 10.648 5.996 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 -24.456 26.444 -8.660 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 -1.595 -1.014 4.549 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 8.217 -7.286 -24.255 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 2.953 -15.806 3.489 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 -2.604 -2.941 -4.301 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 9.331 -17.951 -11.700 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 -6.546 1.406 -10.395 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 -2.125 0.489 7.048 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 26.611 3.452 -10.442 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 -14.467 21.228 2.951 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 -6.075 -2.429 -5.899 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 5.516 1.122 -19.627 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 3.546 -9.549 -11.902 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 -3.230 4.397 -1.898 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 0.283 -15.401 -10.180 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 1.638 9.753 -1.559 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 11.260 8.094 8.487 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 -8.797 10.181 6.571 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 18.224 3.101 4.112 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 3.255 -1.939 3.164 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 7.891 1.023 4.716 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 7.012 -15.455 -1.231 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 -1.517 1.623 3.893 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 -5.067 -6.143 -2.125 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 5.275 20.954 -0.917 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 1.576 0.502 4.040 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 2.158 2.734 2.173 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 -2.826 1.554 1.481 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 -2.488 -0.635 -1.388 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 13.511 -6.698 8.048 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 -13.363 -8.070 -4.059 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 0.969 -4.077 3.612 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 -4.438 13.540 11.822 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 0.387 8.366 0.509 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 5.745 -3.409 2.476 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 4.656 -1.716 15.023 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 6.602 8.388 -2.697 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 -6.153 -2.872 -5.065 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 -16.105 19.156 13.196 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 -26.558 2.528 22.172 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 -0.777 -3.053 -7.532 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 -10.001 20.492 32.071 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 9.598 -12.748 19.968 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 -0.234 2.542 2.716 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 13.825 14.618 -1.498 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 8.333 -15.747 3.687 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 3.973 -0.860 6.102 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 0.918 -5.973 15.699 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 -15.297 7.289 -4.765 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 -1.181 -3.952 1.859 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 1.961 -8.039 -15.688 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 16.902 -15.592 8.035 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 -1.209 -0.595 -5.242 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 6.615 -9.061 -7.356 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 6.411 -2.563 17.109 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 -3.138 7.659 2.874 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 3.405 -0.437 13.265 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 -3.518 2.518 -6.707 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 1.866 -1.123 -4.849 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 -9.758 -7.092 -9.979 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 10.388 1.883 6.110 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 1.811 -0.671 -0.269 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 25.353 3.269 14.653 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 -3.868 -0.774 -4.494 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 0.193 -1.330 -5.546 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 -30.886 -2.078 -11.494 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 17.653 0.252 0.620 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 -0.891 -5.719 -2.557 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 -6.106 -11.194 3.041 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 -4.542 -5.668 2.782 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 -8.350 1.872 5.423 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 -1.037 -19.762 6.302 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 -2.220 15.077 -10.419 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 -3.078 -4.665 1.364 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 10.594 -1.729 8.871 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 18.554 -19.997 -18.450 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 3.202 -0.364 7.752 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 -13.252 3.654 14.496 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 10.702 -2.660 0.388 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 -0.306 -6.661 -1.577 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 17.794 12.006 11.472 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 12.239 1.065 3.285 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 2.699 -0.017 -0.091 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 -19.775 20.147 17.531 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 9.944 10.944 -13.004 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 7.801 1.127 -0.399 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 1.479 -2.939 -6.162 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 -8.926 -54.684 -31.408 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 3.793 -0.209 6.632 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 -2.172 -2.691 1.267 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 4.979 -10.258 1.356 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 -4.478 -0.556 2.328 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 -2.685 -3.998 2.447 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 -7.816 -2.754 5.506 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 2.485 -5.273 -5.102 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 -22.257 -0.093 -12.996 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 15.221 10.857 -9.943 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 -3.259 0.787 3.192 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 20.743 -16.153 -17.191 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 3.078 17.648 -4.469 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 0.997 7.247 1.143 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 0.054 -14.889 -24.516 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 21.368 16.282 10.289 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 -5.086 -2.241 -2.759 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 -5.922 -6.323 -15.613 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 -5.488 -3.930 -6.348 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 1.246 3.647 0.446 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 -1.125 3.658 0.926 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 16.665 -2.050 -0.754 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 2.728 3.803 3.673 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 3.204 4.140 0.446 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 7.120 -4.735 -16.078 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 0.300 1.169 5.757 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 -1.090 -0.189 -1.633 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 2.283 2.723 5.867 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 -3.234 -4.537 2.802 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 14.877 -1.755 15.288 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 24.233 -12.193 15.393 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 -8.502 -2.648 -2.884 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 4.262 16.914 3.478 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 -4.616 11.838 20.486 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 -2.842 -3.922 -2.216 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 -1.825 -4.693 -8.161 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 -10.363 1.565 1.359 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 -0.585 -0.160 -0.222 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 1.955 -7.970 8.437 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 -6.795 -2.213 8.183 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 -0.967 -2.328 2.180 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 -1.540 -9.042 -1.155 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 2.897 -4.804 -12.610 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 -6.361 1.100 -2.458 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 5.995 -19.215 3.272 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 6.416 -2.366 0.846 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 -0.575 -6.577 -0.431 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 -4.266 -4.337 13.856 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 5.035 4.484 -2.829 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 4.181 2.184 3.404 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 2.305 11.311 -26.838 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 0.657 -5.970 5.256 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 8.773 3.400 -3.013 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 8.134 12.991 9.743 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 -9.355 17.512 7.444 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 -2.471 -0.581 1.777 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 -4.376 -5.812 1.950 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 -2.645 -7.072 14.574 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 6.926 1.770 -3.957 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 1.396 6.286 -4.010 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 4.857 -6.121 4.361 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 -1.849 -0.131 -4.554 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 8.269 8.837 -30.570 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 -21.287 -15.705 -32.539 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 -3.772 -6.277 -0.522 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 1.594 -10.109 -11.276 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 8.365 -4.755 8.713 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 2.536 -1.129 1.503 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 -1.521 2.419 -11.059 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 12.348 4.749 0.986 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 0.949 0.719 1.023 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 -11.683 -1.363 5.498 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 -6.036 -2.686 10.182 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 -4.208 8.241 2.471 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 -1.671 5.255 28.546 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 -12.681 -12.172 -44.966 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 -3.491 -0.002 -9.787 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 -10.568 -8.037 -0.150 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 18.849 -4.313 -4.969 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 -2.446 0.344 -10.295 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 5.399 -9.425 18.534 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 35.776 9.343 -6.503 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 -9.509 -6.021 5.027 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 8.905 0.471 -16.074 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 -10.831 -14.048 -9.305 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 -0.877 7.590 6.731 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 21.660 12.069 29.817 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 3.819 -6.519 1.493 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 3.678 -3.991 -10.222 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 -0.467 -2.432 3.919 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 9.646 -3.667 -10.158 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 -8.405 -0.879 4.507 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 -6.893 23.466 0.356 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 7.969 -5.382 -22.606 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 1.081 -7.355 3.208 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 -7.111 6.797 -21.151 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 -6.242 -8.817 10.725 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 0.166 2.130 2.322 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 12.017 13.601 -3.380 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 5.400 9.570 -18.146 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 0.762 -2.507 1.775 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 5.783 -1.064 -2.740 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 -5.472 -1.955 9.652 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 -7.182 -1.670 -1.521 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 -15.652 -10.348 -25.229 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 -12.524 13.156 -0.587 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 6.225 2.710 -8.151 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 2.503 19.926 -23.257 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 -13.344 -2.733 4.974 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 -1.237 -5.501 2.052 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 4.405 -2.379 -7.604 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 15.148 -11.866 0.844 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 8.997 -4.733 4.316 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 -1.375 -0.908 3.602 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 -12.682 7.024 -5.084 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 2.138 -2.223 -3.486 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 6.012 -3.054 -3.150 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 14.462 9.521 4.196 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 8.778 4.144 0.018 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 -4.748 3.881 25.974 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 4.442 4.838 6.429 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 2.638 -1.337 -0.071 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 4.991 -1.015 2.154 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 5.146 -11.985 -19.138 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 -6.390 4.180 -1.528 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 7.605 -3.273 15.481 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 -3.525 2.222 -2.271 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 6.316 -1.167 -4.677 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 -19.568 -8.447 12.009 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 -7.476 -1.117 -7.071 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 -4.770 -0.223 -0.922 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 8.294 -13.812 21.431 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 -8.741 20.076 23.102 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 -5.830 -6.850 2.592 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 20.051 -4.615 27.371 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 -14.836 -15.028 -12.665 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 1.165 2.601 2.151 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 -0.378 -2.835 3.629 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 5.722 -27.261 10.005 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 2.063 -2.596 0.531 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 -2.821 -15.395 -13.140 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 6.392 -9.926 5.066 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 3.261 -5.196 -4.577 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 -9.517 1.272 10.132 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 6.188 19.968 0.804 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 -1.849 0.049 3.460 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 -19.744 -12.339 4.453 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 -0.602 -10.011 -9.843 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 -2.382 5.508 3.796 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 15.780 -16.572 10.961 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 -4.962 -0.894 -4.015 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 6.007 -2.260 2.377 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 5.974 -1.138 -14.900 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 10.155 -15.535 20.256 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 -3.166 -1.507 -2.842 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 -1.048 0.562 -10.274 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 -18.600 13.549 -15.865 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 -3.443 -2.217 -6.141 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 1.077 15.938 -13.241 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 1.547 1.181 8.373 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 7.310 -2.686 -1.889 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 -3.630 -23.436 -11.185 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 -12.394 7.000 15.611 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 -4.377 2.567 6.416 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 -9.567 -3.502 -4.612 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 -4.201 5.288 9.020 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 -2.349 -4.327 1.356 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 -2.001 -9.879 -0.601 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 -2.363 1.112 3.770 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 4.627 -2.658 -7.994 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 9.314 7.109 -20.355 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 3.261 -6.923 -4.128 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 -1.356 10.783 -3.142 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 7.977 5.297 9.930 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 -2.751 1.179 1.366 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 -0.636 2.927 -8.111 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 -13.918 10.233 -17.194 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 0.239 -1.994 -10.013 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 3.252 6.097 -3.768 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 22.007 -33.684 -14.098 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 9.497 1.995 3.523 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 5.106 4.539 2.099 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 -4.382 -2.650 -23.329 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 -7.752 8.806 6.374 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 0.239 9.935 -10.263 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 4.601 26.111 2.239 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 -10.464 -12.048 9.374 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 0.828 -3.090 -4.859 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 8.381 -15.785 -7.844 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 -4.724 -4.210 -11.614 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 9.484 -3.500 0.726 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 -17.317 4.851 -1.932 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 0.752 1.677 -3.719 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 0.914 -2.168 -7.518 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 19.983 -4.572 14.050 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 7.150 -23.949 -18.927 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 -4.866 1.561 -0.897 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 -3.636 0.157 4.594 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 -4.648 -4.333 -0.485 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 2.776 -0.305 0.887 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 -0.449 -13.925 8.561 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 -10.635 -0.841 -13.852 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 4.440 -4.560 1.044 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 -3.284 -13.835 2.594 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 -11.590 -16.419 -3.500 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 0.993 5.990 -6.414 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 -20.960 -1.003 0.479 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 7.275 -5.037 -5.890 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 4.598 1.183 0.637 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 -6.144 -4.506 -0.720 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 0.132 10.567 7.883 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 6.188 -5.014 5.707 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 10.863 2.058 17.874 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 -11.102 -5.339 -9.690 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 -9.414 -0.854 8.923 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 -3.921 -5.194 -7.724 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 -11.939 -8.044 11.113 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 -4.552 -3.548 -1.407 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 -5.189 -1.849 2.602 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 1.811 -6.352 -14.399 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 -6.459 5.482 -0.637 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 -2.055 4.813 -9.981 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 -2.255 -0.451 7.761 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 -2.254 -2.924 3.365 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 -4.254 -1.954 14.560 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 -2.528 -5.954 2.567 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 -5.060 -2.890 0.926 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 -19.118 -2.189 21.030 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 -7.062 3.745 3.594 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 -1.574 0.316 -2.185 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 -2.348 -7.464 -16.486 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 -12.382 -9.411 0.972 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 7.096 2.071 3.646 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 4.037 4.024 7.193 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 4.782 1.249 -1.466 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 5.944 -3.350 -1.186 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 4.046 -4.798 -13.851 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 -5.766 -0.392 3.749 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 1.020 0.611 2.064 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 2.324 -8.666 -9.257 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 -0.066 3.176 -18.012 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 6.917 -5.900 6.830 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 -5.597 -6.536 11.334 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 -14.854 20.555 5.809 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 -8.416 -4.052 4.771 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 30.930 -7.872 11.826 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 -9.626 -5.088 3.941 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 -0.421 -5.537 2.856 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 7.967 -23.748 -8.663 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 3.489 1.588 -16.079 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 -0.686 -2.483 -3.048 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 5.724 -18.413 -1.200 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 -3.938 1.622 5.021 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 -4.944 -2.094 6.048 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 10.708 -2.837 -5.834 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 30.869 1.415 -22.885 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 2.207 6.407 -3.790 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 -2.666 21.287 -8.433 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 19.258 9.449 7.918 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 -0.966 -3.171 -6.049 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 0.337 -3.671 -6.050 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 -3.271 -3.935 -6.017 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 0.625 0.763 -0.007 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 6.658 9.144 2.463 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 -4.026 7.473 22.835 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 6.012 -0.495 1.541 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 3.068 -17.891 0.109 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 7.828 1.376 -12.907 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 -4.384 0.980 2.602 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 1.301 -6.454 12.103 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 5.688 3.663 -6.154 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 6.454 7.626 0.093 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 -10.075 14.823 -3.347 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 15.321 0.117 8.256 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 -1.499 -2.951 6.323 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 2.735 13.476 22.552 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 0.793 3.170 19.499 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 5.931 -5.362 4.359 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 -2.612 1.857 -2.119 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 -3.217 -6.112 12.393 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 6.074 -3.098 -3.570 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 7.796 -5.948 -0.347 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 14.018 -6.821 7.137 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 2.554 7.309 -5.333 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 -20.569 14.185 10.068 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 -3.896 -12.133 -0.895 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 2.651 -1.482 2.092 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 8.816 -13.511 3.099 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 -11.758 -19.796 3.384 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 -7.943 -10.780 -1.522 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 -31.172 -16.881 18.678 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 -3.398 16.254 3.299 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 -5.874 -10.504 2.723 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 15.403 12.730 -1.549 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 20.942 6.649 -13.170 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 -7.134 0.844 -9.493 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 -5.967 7.784 -2.904 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 2.859 33.355 44.009 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 0.642 4.861 0.690 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 -31.217 -15.875 -2.949 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 10.372 10.545 -15.902 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 -1.528 -5.897 0.947 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 -9.658 13.922 20.376 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 26.409 -5.095 3.742 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 3.748 -1.712 0.301 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 2.434 -3.229 -1.020 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 11.407 9.117 -7.814 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 1.039 0.104 -2.667 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 3.372 12.916 11.307 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 4.250 -12.819 -0.844 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 6.495 0.449 2.938 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 4.521 31.156 9.538 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 6.858 7.991 7.595 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 1.874 3.326 4.918 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 2.299 15.026 -5.665 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 15.224 0.403 8.746 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 -1.335 0.848 5.966 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 14.616 3.382 -6.522 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 -2.162 -19.640 14.181 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 -8.955 -1.624 6.538 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 1.190 10.332 -6.884 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 1.416 6.162 12.760 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 2.129 -5.077 -0.255 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 -13.694 -12.758 3.697 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 7.234 22.379 -7.241 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 -2.409 -1.502 7.142 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 -0.621 4.595 10.791 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 0.435 11.231 -0.887 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 1.856 -0.327 -5.641 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 12.168 16.232 -8.724 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 7.367 -4.113 1.781 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 9.885 -5.055 -2.705 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 12.185 17.952 -12.324 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 -19.148 2.036 5.095 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 1.334 -5.870 -3.591 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 2.020 -7.052 -2.947 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 -15.683 10.886 -9.522 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 3.670 -2.157 -5.135 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 15.068 22.599 3.594 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 1.402 -6.239 11.868 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 3.413 -0.604 -3.343 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 5.800 -1.832 -1.818 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 4.250 -7.068 -15.013 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 -10.745 -3.031 -3.052 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 -9.137 -3.142 -1.485 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 -19.742 12.452 -4.330 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 -4.694 -2.883 5.930 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 -10.043 -12.295 8.505 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 -6.427 24.334 -11.140 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 -1.740 -5.386 -0.410 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 -7.681 -6.989 -6.548 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 -11.846 -8.993 8.124 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 0.276 -5.946 1.120 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 -9.887 8.000 12.508 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 -6.791 8.825 2.580 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 -1.484 -9.336 -10.651 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 -2.776 -5.270 -26.016 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 -5.542 -19.859 -23.361 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 -8.723 -0.421 3.127 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 -9.740 -5.722 5.292 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 -8.824 -4.230 2.924 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 6.741 0.115 -0.080 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 -20.416 24.225 25.771 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 11.560 -4.198 -0.988 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 -11.023 -1.872 -7.720 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 11.536 5.720 -19.212 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 27.090 18.205 -18.124 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 0.562 -2.675 5.307 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 22.931 33.878 -10.489 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 16.323 15.664 -5.563 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 -0.274 0.938 -6.410 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 -1.409 7.167 1.231 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 -7.327 20.449 17.427 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 1.177 1.962 3.096 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 -7.009 -5.988 6.992 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 5.343 0.751 1.430 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 0.838 3.535 -1.444 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 -12.515 7.648 4.082 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 0.845 9.785 -15.291 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 0.673 -8.988 -6.773 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 -1.899 -10.723 -11.475 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 -7.278 12.024 -19.724 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 -1.567 -2.698 3.975 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 6.690 -2.785 4.526 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 17.940 6.802 -0.107 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 2.573 4.432 -3.520 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 -4.760 0.252 12.121 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 1.269 -3.659 -22.073 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 -0.974 9.491 2.187 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 -6.715 1.357 -0.789 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 -0.360 16.643 -3.434 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 0.819 0.215 8.169 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 -19.839 -2.245 17.001 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 7.715 -4.211 7.909 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 -1.824 -2.901 -3.487 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 -10.617 5.117 -3.746 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 8.793 -0.203 -3.251 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 -3.142 2.788 12.791 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 7.964 -5.066 5.342 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 0.562 0.268 2.234 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 1.098 -1.032 3.201 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 12.723 25.468 9.915 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 8.472 -5.561 -26.084 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 0.067 -2.345 -0.713 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 -5.881 -8.577 0.946 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 11.505 -0.268 3.719 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 0.917 -2.333 0.986 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 -5.385 12.786 6.790 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 4.484 -9.341 -4.297 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 5.062 -8.115 -5.638 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 6.040 -6.073 2.250 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 5.882 -12.609 -1.929 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 0.342 3.837 3.510 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 -4.995 0.634 6.321 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 1.249 4.684 -8.392 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 -1.120 3.134 -1.784 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 23.647 5.712 -9.637 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 -2.564 -24.775 3.458 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 2.450 -0.762 -2.122 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 3.382 -7.202 23.231 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 -1.287 -4.005 12.827 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 -4.668 -6.643 -1.263 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 -22.525 -11.539 13.647 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 -18.216 24.002 3.797 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 -0.222 1.880 4.793 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 11.089 11.311 4.695 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 -9.458 -11.906 -5.617 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 0.083 4.172 3.555 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 11.519 -24.056 10.553 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 14.293 -3.492 -4.187 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 -3.697 -1.438 3.777 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 20.521 -7.696 -12.144 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 -13.448 -19.762 -8.784 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 1.686 0.168 -0.488 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 -5.572 -3.559 1.919 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 -0.568 5.270 -7.189 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 5.738 -0.712 3.449 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 -22.436 -17.956 -10.286 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 -6.880 -10.986 -5.377 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 0.948 3.153 -3.058 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 -11.927 -29.841 -9.867 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 33.353 -9.550 4.322 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 -2.932 2.614 -2.149 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 -2.025 4.919 7.352 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 -1.584 -4.834 -11.208 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 1.199 1.346 1.462 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 2.062 -2.115 -2.290 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 -7.212 -5.578 8.757 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 0.467 -4.390 -5.297 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 -2.118 -20.651 1.990 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 0.477 -18.131 2.510 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 -5.424 1.680 1.814 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 -4.623 7.450 -13.657 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 -16.290 -8.990 -5.449 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 2.984 3.855 -4.031 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 6.075 0.654 7.619 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 11.954 9.926 -9.817 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 -3.899 -3.762 -1.034 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 -1.849 -5.832 15.224 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 12.110 4.520 -15.939 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 -0.933 5.618 -4.404 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 -10.642 21.178 11.041 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 7.228 28.227 -18.599 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 0.948 -4.419 1.192 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 2.762 2.235 0.423 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 4.841 -8.508 -29.287 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 -7.133 0.077 -5.441 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 4.535 -1.071 -3.584 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 -23.211 19.431 1.693 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 4.711 -12.390 -4.932 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 1.094 -13.918 0.736 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 7.806 -6.133 -18.403 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 0.905 6.555 2.764 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 -4.227 21.356 33.116 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 15.933 -11.154 1.142 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 -1.339 5.155 -8.041 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 -12.702 15.825 11.451 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 -7.157 -6.109 -7.875 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 4.514 0.196 1.907 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 -6.976 4.488 30.256 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 -25.591 18.865 8.774 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 -0.552 2.342 -3.573 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 -2.271 20.242 -18.113 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 2.189 -2.413 10.248 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 -1.795 -4.644 -2.641 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 -0.686 -4.272 -1.511 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 -14.340 -11.908 -12.728 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 -0.602 4.240 3.200 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 -17.865 2.604 16.372 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 1.397 3.447 2.876 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 0.120 2.572 -1.703 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 7.012 0.899 -1.417 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 -8.858 12.897 -12.325 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 -1.280 -1.519 -1.300 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 15.426 -1.129 0.092 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 -0.116 12.051 0.090 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 -5.468 -4.106 0.405 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 -5.642 4.737 19.493 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 -4.525 -2.191 4.859 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 0.552 2.856 -1.586 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 -6.282 6.031 -2.943 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 -6.443 -3.047 7.853 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 -2.670 7.448 -1.972 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 4.021 -14.805 7.423 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 9.815 3.389 -2.557 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 5.385 -4.225 2.287 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 -4.717 12.984 -4.951 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 20.124 -6.976 -3.000 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 2.444 2.190 3.143 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 0.424 7.938 2.479 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 3.742 -3.996 11.982 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 -1.163 5.170 2.193 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 3.937 6.938 -1.511 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 -2.920 4.554 3.328 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 -2.833 1.350 0.073 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 -11.016 -12.262 9.832 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 8.806 -10.074 23.713 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 2.067 -1.415 2.239 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 0.845 -5.579 -16.328 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 8.151 0.868 -9.909 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 2.830 -2.069 -1.829 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 5.129 -38.994 4.724 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 -2.487 -9.236 8.525 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 9.639 4.335 -3.766 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 27.176 10.662 21.083 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 24.680 8.227 15.569 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 -0.590 -1.221 2.032 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 13.798 22.078 10.218 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 -12.374 -21.288 0.431 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 0.991 -0.111 2.503 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 6.160 -8.057 0.135 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 -1.364 7.994 -17.230 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 1.431 -3.716 4.362 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 2.658 22.178 8.723 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 -4.309 16.140 4.419 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 -3.595 3.400 0.889 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 2.540 6.230 -14.417 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 -13.562 9.894 20.966 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 5.522 -0.600 -4.972 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 -11.117 -17.217 -17.139 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 -1.470 -21.498 -23.857 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 -8.282 -5.049 -0.284 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 -12.656 -12.212 2.007 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 -13.400 -2.031 -3.624 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 -2.047 -3.779 -0.092 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 -17.139 5.053 3.190 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 -15.838 -3.751 3.140 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 -7.446 -4.571 3.956 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 4.675 2.708 27.307 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 -8.724 -3.636 0.566 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 2.919 2.062 -4.591 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 -4.516 2.497 3.756 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 26.443 4.799 -27.318 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 4.052 1.333 7.587 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 -26.934 13.535 5.371 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 7.377 -4.456 0.323 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 -7.329 7.119 3.528 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 -4.638 -3.045 5.128 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 -14.387 10.092 -7.335 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 -2.910 4.845 5.676 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 -10.986 13.183 3.123 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 -0.926 -11.797 -7.584 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 -8.313 -6.441 -3.364 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 -10.668 18.957 -19.695 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 -8.131 -10.425 -3.739 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 -0.277 -7.337 0.439 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 -2.566 3.867 6.457 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 11.174 2.834 10.184 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 0.725 3.662 -7.969 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 11.094 5.012 -8.344 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 -3.329 -0.032 -14.168 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 -4.669 0.926 0.838 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 -6.077 -6.238 -2.734 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 -2.074 -16.620 -4.827 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 -3.866 8.099 -2.878 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 -5.331 -1.645 5.256 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 -0.878 10.006 2.227 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 5.670 3.702 -7.007 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 13.056 21.449 -11.326 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 3.035 -26.254 -9.471 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 0.114 3.316 5.160 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 2.722 -35.091 -14.753 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 0.829 9.888 7.250 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 2.024 3.830 5.722 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 -3.567 -10.110 -3.786 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 -15.831 -11.341 0.687 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 -3.377 3.183 3.421 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 8.855 10.830 11.108 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 -13.240 -12.877 -8.338 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 0.435 6.449 -2.744 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 8.253 15.516 -5.839 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 -9.898 -1.162 -6.426 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 3.748 -3.954 -3.031 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 -6.024 2.314 -4.216 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 13.220 -14.424 -0.220 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 -1.290 0.150 1.843 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 -22.218 1.512 1.726 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 -5.429 14.914 -3.418 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 5.062 -0.813 4.324 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 -5.730 -28.612 0.503 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 -10.883 -2.012 -7.251 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 6.612 -8.823 -3.884 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 -34.996 -7.199 -12.697 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 -13.465 -25.413 3.678 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 -0.434 2.457 0.097 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 2.920 -0.970 9.398 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 -6.169 6.333 0.060 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 4.819 5.142 -4.764 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 15.785 19.679 -8.770 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 10.424 -6.730 -22.760 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 -2.878 -6.982 -3.167 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 -22.834 0.909 -20.189 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 -16.287 -7.567 17.765 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 -0.975 -4.392 -2.312 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 8.973 -4.273 -2.708 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 -1.704 -6.795 -3.464 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 -3.135 4.697 4.639 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 -1.746 23.553 -3.969 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 5.927 -1.779 -1.040 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 -1.781 -2.908 -3.426 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 -7.044 -16.795 9.215 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 -17.196 7.505 -0.561 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 -2.438 5.775 -5.289 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 -16.894 -1.820 -7.637 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 16.476 -8.743 -8.837 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 0.586 -1.977 -4.664 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 9.898 7.914 -10.066 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 -2.079 5.653 -2.413 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 0.546 1.601 -3.222 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 5.165 -15.185 14.988 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 16.368 9.974 -16.649 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 1.659 -1.402 -0.376 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 0.244 -7.218 0.707 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 3.036 12.840 -3.374 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 6.114 -3.447 -0.652 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 4.886 -6.371 -6.214 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 3.285 -1.739 -4.436 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 -4.398 -0.730 -2.042 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 13.993 -2.931 31.072 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 16.485 -7.925 -27.632 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 -0.256 0.215 5.322 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 0.807 -11.245 5.354 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 -8.725 11.791 -7.019 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 -0.280 2.189 -3.515 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 -20.743 14.985 -14.013 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 2.477 -8.127 -7.826 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 7.708 1.234 -2.941 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 7.917 3.867 -2.465 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 10.787 -5.654 -4.198 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 1.117 1.943 3.563 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 7.572 16.234 -23.068 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 -37.040 7.572 17.047 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 -1.228 12.319 3.063 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 -4.427 1.571 21.415 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 5.758 7.503 16.049 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 1.544 -1.521 1.852 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 -5.725 11.488 10.992 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 2.516 16.270 16.892 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 -3.529 1.454 -1.302 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 -8.119 0.206 -0.419 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 2.595 0.059 -5.064 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 0.169 -1.994 2.086 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 -2.288 -5.023 8.827 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 3.614 -5.419 -0.071 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 1.155 -0.945 4.024 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 7.835 6.332 -13.964 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 0.911 -1.246 -0.476 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 6.484 -0.192 -1.507 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 15.259 -6.882 -5.320 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 -28.661 -10.108 20.647 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 1.204 8.545 -0.202 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 9.766 6.232 -13.536 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 -6.521 12.574 0.334 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 4.364 -4.162 -8.086 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 1.787 11.723 10.061 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 -7.964 -30.123 4.357 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 -4.329 -1.438 -2.298 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 14.005 8.957 11.577 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 -9.466 -17.234 6.088 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 4.329 -1.446 0.170 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 7.124 -7.506 -0.053 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 1.276 1.267 5.821 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 -10.644 -0.387 -10.099 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 -22.629 -8.122 -19.007 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 11.724 17.076 6.416 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 3.004 -6.159 0.978 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 -1.111 33.422 -4.380 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 -27.147 -21.323 17.337 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 11.113 1.281 0.733 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 3.294 -3.542 12.599 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 4.532 -10.865 18.722 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 3.663 2.683 3.235 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 -5.906 -3.302 5.603 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 -4.837 -2.279 5.477 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 -0.190 -4.824 -2.858 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 -8.267 -0.330 8.891 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 6.317 5.976 -22.408 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 2.791 -0.984 1.125 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 2.438 -5.000 5.216 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 -8.572 -1.055 -5.663 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 -4.736 -2.788 2.343 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 -11.925 -12.497 -23.461 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 -14.154 -0.932 -4.622 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 -7.114 -3.784 -2.126 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 29.901 2.204 -9.939 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 -16.015 -7.108 0.852 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 -2.741 5.890 4.729 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 5.707 -3.218 -4.147 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 -0.198 3.831 17.397 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 0.552 1.919 -0.328 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 1.979 0.387 5.221 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 -3.133 -6.533 5.168 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 -3.707 2.466 0.172 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 -30.722 -24.492 14.693 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 -3.995 6.191 9.127 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 -1.361 8.443 -1.005 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 -0.577 7.037 -0.393 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 12.072 -15.596 -15.939 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 0.534 -0.662 1.552 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 13.749 10.361 6.203 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 -3.892 4.056 11.443 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 5.069 -7.610 1.757 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 -8.326 -13.795 0.829 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 -0.111 17.350 27.444 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 0.979 -1.162 6.511 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 -14.002 -25.435 7.852 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 28.823 9.768 -3.493 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 4.271 3.010 3.044 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 -14.716 4.323 -36.023 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 19.257 21.036 -10.635 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 5.711 1.853 1.242 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 5.779 -13.183 13.312 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 17.949 14.258 11.191 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 1.922 5.426 -6.485 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 17.521 22.312 -10.506 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 15.518 -10.107 1.554 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 5.184 -1.038 -2.121 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 8.187 3.420 4.342 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 -13.397 -1.816 -12.815 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 -0.580 -0.949 0.437 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 0.343 4.241 3.147 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 -6.365 -0.085 -6.901 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 2.886 0.338 -1.898 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 -19.782 16.615 -21.397 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 -21.246 6.705 -2.381 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 -1.889 -6.788 -3.580 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 -4.358 5.058 7.685 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 6.468 0.918 -2.543 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 -4.387 1.794 1.679 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 -13.902 -15.863 -12.179 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 6.961 24.608 -0.288 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 2.865 1.751 -1.832 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 -7.037 -12.252 -8.576 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 -2.655 8.440 5.316 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 -10.582 -4.322 -1.543 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 -9.139 -12.079 13.129 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 -10.457 -10.858 -8.498 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 -0.865 -5.304 -4.490 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 1.641 -1.320 -23.426 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 0.777 11.280 -5.201 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 2.435 -0.663 -0.277 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 8.903 10.652 2.043 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 -1.060 4.084 -0.341 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 3.933 7.527 -6.263 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 11.953 5.845 -4.091 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 2.986 8.204 -8.792 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 -5.281 -0.033 4.510 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 8.752 4.801 7.224 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 -10.142 7.173 -3.151 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 3.755 -1.202 3.284 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 3.726 -7.000 -11.486 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 -2.310 3.950 18.978 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 1.257 7.183 -8.550 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 -12.360 24.302 18.545 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 19.281 21.818 -0.409 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 -1.025 1.076 5.071 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 12.843 4.272 -12.177 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 -14.483 12.941 4.394 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 -0.291 2.103 2.827 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 27.848 1.371 -6.176 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 10.650 -16.931 13.791 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 0.245 5.796 -2.207 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 -1.146 15.808 4.549 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 6.526 9.266 -3.426 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 -7.076 4.455 0.959 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 -13.998 -2.339 9.108 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 0.763 -28.358 -8.849 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 -4.229 4.182 -5.371 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 13.299 11.641 -22.050 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 1.710 -21.011 -26.737 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 0.168 -1.638 2.464 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 -10.058 3.303 -0.979 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 13.288 12.950 0.923 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 -5.062 0.429 -1.759 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 -2.241 -17.074 -16.341 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 -0.720 -2.365 5.256 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 1.129 -4.464 8.457 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 7.111 -8.162 -10.972 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 -1.568 -2.126 19.377 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 0.482 2.100 9.745 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 -5.503 8.132 11.889 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 -3.043 4.223 -4.793 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 2.306 3.380 -3.655 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 1.464 22.224 1.532 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 15.726 9.856 -16.234 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 -5.542 -1.726 1.705 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 0.837 -15.318 9.283 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 -21.318 15.251 2.913 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 -3.072 -1.112 0.093 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 -1.510 -1.414 20.580 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 -3.388 -15.319 12.817 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 3.371 1.520 2.676 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 -3.575 2.359 1.064 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 10.522 -7.970 0.346 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 -2.020 5.438 -2.122 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 -2.260 -6.884 -10.624 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 -15.070 -11.719 -22.081 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 4.414 1.160 0.257 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 33.090 -6.840 -22.217 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 -9.851 -26.984 12.957 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 4.080 -2.896 -4.366 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 4.084 -4.765 -1.545 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 6.126 -2.651 5.758 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 -4.560 -1.018 -3.788 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 -6.756 -3.743 2.863 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 -4.461 1.128 -18.593 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 -0.813 1.767 -0.270 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 3.039 5.555 -5.898 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 30.456 -18.845 -12.410 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 7.851 8.073 -2.641 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 -0.268 16.155 -3.864 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 3.389 3.887 -4.485 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 6.045 -4.653 -1.120 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 -15.015 11.035 8.151 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 7.719 -0.627 -4.316 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 2.243 -3.213 -2.383 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 11.430 -10.164 17.479 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 -13.335 2.547 2.258 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 -10.053 0.165 -1.402 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 6.869 15.169 16.556 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 -8.665 1.403 -1.311 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 1.597 -5.672 -3.635 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 -0.468 -16.851 -5.553 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 7.291 46.016 1.294 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 13.289 4.847 0.094 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 25.759 8.656 -5.684 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 15.902 7.836 1.783 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 -6.178 7.429 -2.353 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 -8.681 18.041 -1.214 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 -2.921 38.628 -1.935 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 -0.527 -4.076 -0.737 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 -9.005 -2.872 -2.622 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 3.055 0.411 14.686 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 4.460 1.816 2.882 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 19.724 1.141 17.832 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 -23.323 7.809 0.544 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 -4.720 7.478 -7.670 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 7.729 6.656 -23.588 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 -10.127 -12.066 -6.856 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 -0.174 -0.321 5.755 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 -4.870 -25.180 23.696 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 -8.624 -23.484 0.720 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 3.194 -5.864 -6.091 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 10.812 -3.741 -2.144 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 2.234 3.058 -10.702 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 -0.528 3.871 1.770 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 -1.658 0.122 -1.439 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 8.910 4.291 14.616 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 2.370 4.365 3.403 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 4.620 8.502 7.229 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 -0.898 -9.447 -10.567 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 -8.775 -0.373 0.395 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 -5.103 3.070 3.863 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 -6.024 -5.471 -0.703 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 5.926 -3.667 -1.519 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 -4.740 -6.099 -16.999 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 15.644 -3.462 -1.077 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 -2.983 5.055 -12.165 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 -0.289 11.630 -17.236 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 1.755 8.088 -6.648 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 2.095 3.197 -5.164 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 12.529 -1.459 -0.496 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 15.468 -4.652 -8.327 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 1.101 0.033 -0.645 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 4.626 25.036 8.214 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 -18.292 23.536 47.509 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 1.907 0.655 0.787 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 -5.914 -5.588 3.269 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 11.329 0.019 4.785 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 0.091 -3.605 -0.855 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 18.564 2.849 -6.858 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 1.007 14.402 9.923 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 -4.494 -4.747 -5.597 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 8.533 -7.437 6.939 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 -0.296 -9.043 0.513 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 5.479 6.565 1.293 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 7.636 18.981 3.646 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 -16.256 6.862 -6.460 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 4.102 -1.912 -3.628 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 2.339 3.426 -7.636 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 3.559 -1.765 -10.848 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 1.050 -4.720 0.983 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 3.565 -13.233 -8.824 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 -5.114 3.269 20.633 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 0.260 5.446 5.896 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 1.069 18.244 0.143 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 7.072 2.621 16.744 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 1.119 3.359 3.153 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 -6.022 0.968 -10.868 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 19.901 5.761 -1.701 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 -3.645 2.512 1.057 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 -1.581 -6.544 -1.113 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 10.841 -17.435 8.025 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 -5.890 2.841 -0.593 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 -0.942 -0.147 -8.832 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 0.817 10.230 3.403 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 1.251 -2.831 1.919 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 12.934 11.845 -17.268 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 15.524 -25.091 3.087 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 -6.673 -0.581 4.134 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 11.469 -5.840 -12.525 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 -9.139 -6.365 4.556 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 -0.908 -1.435 -5.521 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 1.500 3.049 10.560 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 -17.874 -7.349 -7.664 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 -0.877 -2.313 0.889 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 2.355 -13.768 -23.364 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 -2.355 18.993 10.534 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 -2.446 -7.618 1.805 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 -1.853 -17.527 3.914 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 0.435 -12.786 0.033 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 4.080 1.040 3.935 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 15.377 -2.731 5.645 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 -2.783 -4.805 6.115 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 3.736 6.964 -1.447 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 6.533 -4.582 -14.146 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 -2.395 1.373 10.993 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 5.614 -0.926 -1.970 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 5.439 -2.249 -2.518 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 3.992 -3.610 -3.376 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 2.399 -1.100 -1.951 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 6.318 -13.944 -1.742 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 -5.150 0.710 7.910 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 4.111 6.842 1.654 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 2.709 21.908 3.499 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 -0.476 -0.030 5.991 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 3.749 1.922 1.445 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 6.728 -0.094 -0.718 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 4.952 8.975 -8.176 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 2.423 -4.287 -3.943 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 -20.320 0.589 -15.165 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 -12.816 -18.414 16.573 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 -1.012 0.739 8.725 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 9.581 -2.168 31.890 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 9.269 12.492 19.124 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 -0.861 1.273 -3.611 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 -2.776 -4.069 5.225 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 -3.920 -1.587 -0.717 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 4.992 -3.865 -4.122 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 25.574 -9.809 1.519 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 -5.662 8.198 -6.499 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 -9.358 0.172 5.302 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 -0.602 8.409 16.799 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 -0.756 9.549 -11.112 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 0.317 -3.371 1.413 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 11.720 13.251 -0.463 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 -0.064 -19.555 21.777 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 3.561 3.079 5.727 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 14.034 -1.426 -5.019 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 12.556 3.423 0.323 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 1.143 -3.342 5.207 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 -11.286 20.843 3.341 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 -11.813 0.836 -3.688 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 -7.657 -10.647 4.425 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 -24.545 -30.078 1.610 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 12.820 -16.159 21.369 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 7.161 -7.419 2.709 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 10.227 -7.390 5.086 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 7.153 1.287 5.867 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 -0.617 -8.128 2.434 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 -13.819 0.509 9.876 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 8.315 -7.781 -9.210 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 5.768 -2.438 -0.265 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 18.563 -16.159 -8.756 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 5.511 -1.292 6.515 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 -2.054 -3.326 -1.492 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 8.414 11.003 9.332 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 -0.393 3.750 15.513 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 -1.035 -1.331 6.219 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 -0.690 -18.588 -6.667 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 4.360 21.073 25.125 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 -1.516 3.943 -4.718 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 -14.188 7.685 -14.478 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 6.119 -6.912 2.841 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 -7.407 4.561 2.899 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 5.970 -17.591 12.273 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 -11.343 22.035 -3.364 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 -0.286 -4.034 -2.060 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 -10.208 -2.072 12.285 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 -3.907 13.493 -14.129 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 5.441 -2.300 -9.011 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 28.532 7.527 24.990 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 -3.456 -8.854 -20.767 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 -0.641 -1.885 -8.393 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 11.694 11.984 3.357 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 4.833 -17.338 -10.555 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 4.605 -2.803 -1.628 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 7.562 0.621 -9.319 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 -18.064 -0.062 13.011 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 15.869 3.371 8.678 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 5.145 4.706 -2.448 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 15.081 -0.642 -0.697 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 0.617 -0.514 -6.096 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 -17.697 3.175 3.120 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 -7.952 4.263 1.802 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 7.671 -1.503 -4.820 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 -13.643 2.892 5.061 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 -4.513 24.817 -16.920 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 6.657 1.902 9.181 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 1.383 -1.209 5.629 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 7.682 2.175 9.139 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 1.828 1.143 2.709 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 13.951 20.553 3.089 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 -15.288 1.210 -2.015 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 1.690 -0.401 0.171 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 1.593 3.015 3.099 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 1.212 8.589 3.446 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 -2.122 -4.880 -3.853 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 -9.069 -21.635 -16.541 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 8.029 6.351 5.956 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 -2.932 -0.878 -0.662 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 -5.111 -6.537 12.456 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 14.488 -8.944 3.860 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 2.592 -0.346 0.836 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 3.663 4.369 -6.683 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 22.299 13.163 13.062 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 -2.045 4.004 11.065 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 -32.062 -11.148 19.646 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 -0.974 3.713 8.578 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 4.618 3.180 -0.312 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 -8.038 15.458 -1.139 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 17.253 -20.374 -3.353 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 -2.862 1.278 -3.913 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 -14.213 0.273 -17.697 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 8.862 16.360 -13.931 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 -1.883 -3.302 4.136 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 3.683 -4.648 8.037 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 22.527 -25.222 9.756 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 -2.324 -4.160 3.282 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 -2.760 2.869 -10.082 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 -6.781 -20.863 -4.745 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 0.555 -2.100 -2.023 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 9.016 -5.511 8.992 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 -11.051 -13.348 -16.075 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 -2.821 0.219 4.001 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 -13.081 13.705 6.479 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 -26.510 -10.206 -10.862 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 -0.995 1.059 -2.346 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 1.669 -6.732 -18.930 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 -5.105 0.029 11.127 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 -4.980 0.590 1.246 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 -13.949 -0.716 4.332 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 5.386 -2.275 -3.156 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 2.446 3.148 5.643 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 -2.147 -0.525 8.803 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 12.572 -7.963 25.484 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 -4.409 -3.632 -1.983 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 -0.170 -1.760 17.032 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 1.276 9.260 19.589 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 -6.508 -4.012 3.129 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 -6.411 16.270 -10.437 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 -4.903 -21.212 13.354 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 -7.935 -1.548 -0.352 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 -2.668 -14.571 -7.055 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 2.514 17.496 -3.086 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 -0.854 6.340 -2.778 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 -4.980 4.012 -1.404 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 -3.100 0.269 -4.876 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 -4.636 -1.001 -5.208 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 -21.558 14.873 2.246 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 -8.072 9.459 1.549 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 -0.929 0.953 0.949 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 6.139 22.153 22.763 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 13.567 14.779 -10.896 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 2.333 1.380 -0.886 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 8.216 29.899 1.093 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 12.004 -11.675 -24.216 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 2.400 0.634 8.001 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 -3.370 3.233 16.907 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 -3.192 -18.716 -1.967 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 2.632 -4.007 -2.768 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 10.096 0.128 -17.210 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 5.788 -4.393 -5.781 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 -3.105 -1.164 3.096 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 2.637 -6.695 1.079 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 -19.198 15.639 29.035 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 1.799 -5.381 10.418 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 16.378 -2.155 5.778 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 -2.375 -20.093 11.866 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 3.410 3.773 -4.896 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 -21.568 18.702 4.600 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 22.575 -8.188 -12.705 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 3.182 -0.505 -0.312 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 -20.801 -6.626 -3.250 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 16.078 15.454 -7.361 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 -7.418 -0.626 2.144 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 14.543 8.028 12.481 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 -3.342 2.038 2.936 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 -5.516 -6.632 2.320 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 -3.651 -4.139 -18.457 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 3.881 -8.827 19.380 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 1.790 0.894 -8.811 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 4.396 9.429 -5.540 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 10.244 -6.491 -8.681 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 6.441 6.812 -3.884 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 -4.061 4.156 -13.615 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 3.292 7.377 -5.064 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 -4.868 1.348 4.391 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 -16.801 0.911 0.553 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 4.887 -7.218 -8.987 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 2.544 -0.650 2.993 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 17.401 -3.651 0.265 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 -2.805 -2.242 -1.358 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 2.437 7.792 -1.302 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 -2.902 11.895 -13.114 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 -4.810 4.840 -10.880 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 0.235 -2.512 1.327 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 -4.193 -7.117 -19.138 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 9.330 4.763 7.929 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 0.980 3.705 4.565 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 14.027 -23.505 9.533 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 9.338 10.053 28.136 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 6.081 6.943 -0.461 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 6.071 2.501 1.883 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 3.894 17.403 -3.031 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 4.499 -3.659 0.976 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 5.750 -2.792 -3.863 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 5.439 -1.444 11.396 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 5.398 -4.753 -6.538 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 -0.042 13.168 -16.095 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 2.001 -1.585 5.210 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 -5.286 1.621 5.453 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 -13.331 -14.340 4.823 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 -5.642 5.589 -10.624 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 1.740 0.032 2.623 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 6.915 -8.793 -3.396 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 -0.396 8.349 -5.954 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 -2.799 -2.706 6.075 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 -1.383 4.370 -0.980 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 -4.743 -8.227 10.457 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 -2.890 -1.757 -5.512 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 15.990 -3.334 -1.010 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 -14.970 11.322 -2.993 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 0.808 -1.541 -0.193 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 6.886 -2.004 0.095 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 7.304 -1.917 -0.202 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 -2.724 5.925 0.367 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 -10.479 -11.441 2.037 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 7.806 11.201 15.983 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 2.790 -0.615 -3.662 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 -7.991 -0.533 10.908 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 0.734 0.250 -12.371 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 -0.236 -0.230 1.633 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 -0.621 21.925 10.620 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 -4.142 19.944 4.633 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 5.475 -1.302 5.050 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 -6.877 8.144 10.430 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 -9.012 1.479 5.002 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 -2.356 0.104 2.968 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 3.702 7.611 1.030 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 0.636 -4.156 0.898 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 -4.829 3.674 -0.099 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 15.603 -10.682 -18.665 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 9.807 -5.464 -14.668 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 -7.040 -1.823 0.613 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 -10.830 20.970 25.648 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 3.188 -29.040 3.167 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 -0.546 1.567 10.012 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 -7.402 -6.396 14.813 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 -6.017 4.135 -5.506 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 -1.015 9.922 1.667 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 -9.164 14.452 4.710 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 3.866 -0.617 1.083 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 -6.627 -5.983 -4.172 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 -20.925 4.393 -6.275 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 -17.921 2.545 -0.296 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 3.622 -6.988 2.391 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 -8.309 6.483 20.792 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 2.986 26.545 -23.040 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 3.711 -6.041 -4.917 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 -6.994 -31.491 -0.270 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 7.252 0.520 5.178 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 -1.466 4.011 -2.517 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 4.604 -14.535 0.095 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 -5.536 8.620 -5.962 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 -3.326 4.477 -1.825 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 -15.363 -10.075 7.741 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 2.592 -1.084 -4.488 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 -1.532 -3.202 5.023 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 5.720 12.117 -17.953 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 0.771 -1.341 1.215 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 -0.295 2.812 -5.492 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 2.918 -6.814 -0.159 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 9.389 -7.364 14.969 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 2.210 1.497 3.959 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 27.414 16.366 -2.123 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 -6.804 -21.920 12.490 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 -5.713 -5.933 -0.718 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 -28.771 16.526 -33.596 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 -22.037 -12.769 23.318 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 -0.986 -0.599 -0.512 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 4.634 15.353 -4.888 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 -17.211 -15.347 -6.334 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 1.262 0.872 -3.765 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 3.497 7.743 0.367 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 11.832 -7.477 -0.106 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 -2.415 -8.483 0.065 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 1.640 -9.336 1.112 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 3.500 -9.325 -1.095 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 -2.974 -0.056 2.326 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 -9.276 2.939 23.885 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 18.148 3.559 8.051 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 2.916 0.833 -2.143 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 0.976 -3.465 -19.823 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 0.328 9.094 -0.600 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 -5.916 3.318 2.387 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 -5.273 -0.378 9.021 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 22.239 -0.786 32.712 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 0.853 3.526 3.183 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 13.755 -9.774 -0.114 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 6.137 9.540 15.295 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 -0.838 -1.777 -6.045 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 19.836 -10.400 -6.859 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 -21.497 3.395 17.577 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 0.289 0.156 1.778 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 12.498 -0.076 -8.541 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 -7.589 21.273 7.270 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 -2.749 4.509 6.123 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 -12.120 -14.441 -2.307 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 -10.390 -11.097 -1.046 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 -5.870 -0.521 1.708 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 -4.037 -4.817 6.269 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 -1.391 -1.362 6.647 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 -1.862 -0.285 -0.265 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 27.600 -26.455 -12.996 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 -7.154 18.056 -24.411 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 -1.206 -1.238 6.300 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 -13.088 -2.930 11.747 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 -4.953 -1.264 -10.981 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 4.135 -2.416 -6.706 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 -1.563 -14.371 9.656 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 3.792 1.518 -2.617 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 -4.632 -1.022 3.353 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 -4.051 -1.180 5.371 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 2.613 -6.434 -1.960 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 -6.568 0.800 7.761 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 4.949 -4.574 18.612 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 -11.493 -9.542 -20.716 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 -6.469 -3.922 5.369 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 -22.111 -11.346 2.605 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 22.899 -4.309 7.953 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 2.933 3.801 0.982 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 0.983 -9.513 7.843 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 1.944 3.161 11.294 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 0.723 -1.223 5.081 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 -5.056 4.521 -3.057 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 -5.411 -13.022 -11.468 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 -7.136 4.764 -0.211 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 -1.628 -2.936 1.576 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 -12.195 14.395 -1.223 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 -2.743 -3.819 3.759 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 -2.915 2.019 7.213 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 1.386 -20.636 7.686 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 6.429 -0.884 3.269 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 -5.745 10.397 -8.847 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 -0.657 -7.534 9.897 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 0.630 4.561 -5.610 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 2.201 0.109 9.061 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 15.094 9.782 -9.425 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 -2.175 -3.326 1.902 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 -10.080 -4.889 12.786 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 -8.913 -4.767 7.431 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 11.850 -3.781 9.901 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 7.280 10.176 -9.493 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 20.085 -20.441 21.843 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 0.487 5.278 1.389 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 11.795 12.506 -19.173 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 -0.843 14.831 3.676 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 -1.607 3.464 5.769 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 0.011 4.628 14.671 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 -7.704 1.330 -1.053 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 2.526 6.067 -3.945 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 4.132 4.729 -6.089 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 -10.821 2.746 5.703 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 -0.599 1.112 -3.184 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 30.003 17.328 8.086 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 -10.007 -14.859 -1.058 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 0.364 6.716 6.106 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 5.058 12.877 -0.237 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 -4.148 5.111 8.087 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 0.434 2.057 7.276 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 11.029 -18.369 -12.287 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 10.607 5.793 -2.812 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 -2.771 -8.754 7.076 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 -14.789 3.356 -13.895 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 -6.511 -7.214 3.048 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 -0.576 -0.090 -1.884 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 0.936 6.747 -4.931 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 -8.143 0.597 -0.955 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 -2.803 -4.192 -3.364 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 2.739 -5.601 14.185 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 -1.316 -0.379 -24.579 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 -11.255 -6.963 2.548 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 -0.466 -10.716 -4.090 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 16.998 -23.751 -34.631 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 -3.918 -2.475 4.752 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 1.243 -10.247 30.385 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 -30.695 -18.161 -1.674 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 -1.787 6.366 4.137 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 -4.818 2.114 12.083 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 3.873 14.741 0.294 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 -5.789 9.140 -0.848 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 -19.938 22.700 -21.088 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 21.142 12.052 -8.244 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 1.066 -2.823 -3.126 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 9.171 -8.855 13.562 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 -23.520 -4.624 1.635 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 -3.202 2.411 4.775 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 -24.256 4.733 -3.529 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 -22.196 1.287 -16.667 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 2.278 -3.553 -1.333 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 -5.733 7.560 11.676 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 3.618 -5.915 -8.565 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 3.228 -1.549 -2.065 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 6.268 6.408 3.415 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 18.015 8.729 8.817 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 1.665 0.560 -2.057 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 27.230 3.833 -13.073 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 -12.056 25.540 3.285 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 4.238 2.491 0.473 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 19.968 7.540 -22.833 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 -34.656 -9.666 10.174 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 -7.409 -10.636 -6.667 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 -18.055 1.853 -6.333 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 7.292 -4.516 -8.950 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 4.064 -3.765 -1.098 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 1.495 -31.732 5.972 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 15.570 6.053 0.749 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 -0.126 0.006 4.781 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 2.668 -2.153 15.646 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 7.109 11.397 -1.542 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 -5.175 0.307 -0.508 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 2.339 -1.164 5.991 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 -5.140 9.463 1.547 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 -1.807 5.795 -6.262 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 -11.185 14.588 -6.546 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 -1.081 9.876 -3.517 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 -2.328 -0.950 0.222 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 7.022 -5.001 0.928 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 -7.009 -11.025 -7.587 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 5.029 -6.275 5.019 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 -15.059 1.892 18.781 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 30.302 -6.121 10.630 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 -0.752 5.024 -4.654 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 -4.814 8.346 -0.234 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 1.014 6.103 -9.176 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 -2.267 -2.237 2.617 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 -9.917 -9.331 6.871 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 -6.984 3.957 -4.773 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 3.717 6.683 1.475 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 -2.556 -2.542 -9.811 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 6.915 -8.077 11.862 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 -1.851 2.778 -2.134 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 -13.438 22.642 -1.076 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 12.773 -22.550 -8.676 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 2.809 2.546 3.074 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 -4.294 0.852 7.183 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 21.185 -3.082 7.432 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 0.124 -1.564 -7.929 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 6.157 17.182 -7.315 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 6.197 1.476 -11.509 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 3.545 -0.316 8.636 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 0.645 7.886 6.724 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 13.046 -7.990 18.894 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 3.094 9.145 4.568 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 1.371 17.351 -0.797 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 2.954 15.358 -0.345 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 -3.631 -7.494 6.393 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 -16.410 -16.874 -31.377 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 -12.851 -15.719 -28.314 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 -6.743 -0.761 2.734 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 -24.507 -20.626 -0.190 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 -4.177 -0.342 28.924 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 4.972 -1.757 4.431 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 12.616 -9.125 14.904 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 1.853 -12.057 8.372 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 -0.047 -0.945 5.590 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 2.532 0.904 5.762 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 -6.999 -5.536 5.461 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 -7.586 0.057 3.347 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 -0.908 6.207 -7.320 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 -0.976 -10.428 -3.593 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 -7.041 -4.839 -1.945 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 -8.191 -3.056 -4.200 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 -5.018 -5.007 -0.720 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 -1.753 -0.309 0.387 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 -3.983 3.730 -1.042 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 -5.185 6.266 -9.162 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 -3.259 1.390 1.958 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 -24.483 20.768 3.479 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 -11.789 5.076 1.665 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 1.745 2.781 2.598 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 8.456 -8.734 3.815 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 -13.847 10.339 -7.381 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 -4.477 3.760 -1.353 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 -5.950 37.596 -18.811 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 -34.651 21.835 -2.151 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 -0.089 -1.510 -3.683 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 -12.052 15.086 -4.368 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 11.561 -6.607 -2.604 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 7.708 5.608 -0.248 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 -17.642 -9.650 -6.584 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 -1.496 0.003 -0.835 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 0.321 2.203 3.032 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 -7.337 7.112 6.232 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 18.479 6.505 11.208 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 5.284 0.841 3.465 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 0.063 23.904 9.825 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 4.397 -10.225 -20.947 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 4.133 3.242 -7.935 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 -19.008 0.697 -10.011 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 -9.186 -1.750 6.655 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 -0.933 -0.347 -4.507 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 -20.092 0.758 3.576 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 -5.711 -2.429 -10.462 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 1.893 1.248 -1.964 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 -7.724 -12.085 3.347 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 -6.576 3.312 8.549 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 -0.910 -5.167 -1.001 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 -7.628 -21.269 -5.972 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 -0.584 13.319 12.270 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 -2.123 1.538 7.557 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 15.502 -15.969 24.117 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 -11.391 -17.716 -1.212 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 -0.423 -2.370 3.773 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 -10.790 15.938 21.865 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 -5.640 6.558 9.891 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 3.099 -2.154 -5.542 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 -2.492 -5.789 -10.572 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 8.302 -4.883 8.762 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 6.154 0.417 4.778 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 -6.181 -19.285 1.745 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 3.471 16.511 -14.560 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 7.347 -0.685 -2.046 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 31.187 7.812 -7.597 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 8.629 21.552 20.614 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 12.754 2.234 3.599 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 9.609 5.857 7.624 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 8.538 -2.109 2.281 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 5.825 -2.073 7.095 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 6.137 -15.696 19.465 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 -8.672 9.205 12.725 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 -1.098 -0.200 1.468 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 -12.426 12.189 6.283 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 16.134 -19.780 -7.442 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 -9.597 -1.526 1.586 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 17.011 -1.589 -7.937 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 -13.596 -22.676 -0.625 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 -7.630 -0.774 -0.304 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 -5.149 0.689 5.693 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 -13.896 -7.433 1.411 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 3.532 2.212 -1.795 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 -14.447 -8.377 1.403 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 5.842 4.301 -5.888 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 -0.455 2.379 0.829 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 0.645 17.149 21.281 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 -13.626 -22.842 13.803 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 -3.272 -6.677 2.400 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 12.179 -26.271 0.595 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 26.056 -5.497 -4.954 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 -3.953 -3.815 -3.223 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 -2.519 -2.357 -10.077 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 18.814 10.894 -7.320 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 -2.273 4.674 -4.156 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 5.257 9.607 6.706 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 10.192 19.221 -0.558 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 2.612 -5.420 -4.246 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 2.823 -3.949 -3.989 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 0.409 -4.844 -6.342 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 -4.942 7.656 7.134 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 -3.128 -19.189 -2.004 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 -0.716 14.060 -13.698 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 2.342 -3.139 0.261 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 8.772 3.632 -7.881 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 8.949 12.319 -14.502 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 9.312 1.941 -2.403 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 14.128 -0.805 -3.309 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 9.120 -33.214 3.550 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 1.846 -3.342 1.751 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 4.240 -6.106 -1.744 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 -43.888 14.014 -15.098 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 -4.705 8.911 2.864 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 -12.083 19.188 8.893 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 8.866 -10.149 -8.793 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 1.322 -3.104 0.664 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 12.338 -2.921 5.461 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 18.061 -3.397 27.960 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 3.094 -4.965 -1.994 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 -8.501 -34.562 -3.897 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 6.089 -8.369 -11.469 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 1.212 0.214 -2.864 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 21.291 0.128 1.524 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 -2.391 2.149 0.604 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 -0.902 2.873 -1.726 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 20.742 17.034 -2.076 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 6.182 -27.813 7.505 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 -0.197 -6.357 -1.874 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 2.251 -6.228 -2.263 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 -22.406 -8.062 -1.016 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 7.869 -8.987 0.320 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 12.553 -2.606 -4.351 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 17.963 -35.122 14.661 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 4.703 -1.539 -1.260 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 -2.891 -13.348 1.532 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 5.682 -16.711 13.101 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 -5.051 -1.620 1.301 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 -26.106 9.513 -4.873 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 -6.557 -3.166 -3.590 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 0.518 5.363 7.380 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 -1.358 22.339 0.512 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 2.578 7.493 23.836 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 -0.115 6.175 -7.454 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 -12.244 -10.304 -8.393 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 0.913 6.099 -23.309 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 1.594 1.142 3.641 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 -2.250 -2.560 7.471 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 -13.141 0.511 -7.812 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 -5.936 0.329 -11.542 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 0.062 3.688 9.883 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 1.495 5.862 8.363 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 0.241 -4.563 1.164 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 18.277 0.380 -17.038 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 -5.707 -10.190 16.375 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 4.026 -1.667 -0.618 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 34.688 -0.462 -5.605 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 17.425 -6.571 -1.864 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 -4.488 3.522 -2.186 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 8.867 5.268 13.070 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 -16.831 -4.039 9.623 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 -4.514 0.079 1.704 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 6.708 -3.124 21.403 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 4.687 -6.054 4.354 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 1.807 4.355 2.864 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 -19.698 0.178 -22.912 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 -15.201 -9.760 -2.695 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 1.763 -1.289 6.370 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 -2.570 -8.545 -6.974 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 7.365 1.630 23.295 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 -1.389 -4.988 0.488 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 -8.971 -8.416 -3.649 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 4.139 -8.603 3.261 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 1.339 -4.268 6.650 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 9.973 6.196 7.776 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 9.841 11.944 3.412 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 1.130 -0.275 -3.330 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 -3.378 11.533 6.157 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 21.038 4.037 5.459 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 -0.509 1.996 -3.948 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 -3.888 3.876 -5.294 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 -0.802 1.699 -3.984 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 -4.429 -1.612 12.639 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 13.941 -12.407 17.173 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 -2.467 17.609 22.739 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 -6.377 -1.548 -4.187 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 -4.575 -14.895 -22.426 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 8.103 4.644 2.459 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 0.036 1.977 0.698 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 -2.041 2.569 0.301 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 -12.315 -1.386 -1.389 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 3.284 2.681 -7.238 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 -5.552 -5.104 -10.489 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 30.563 7.247 4.406 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 -3.138 8.841 0.784 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 -1.077 -2.225 -23.102 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 -7.208 -11.196 10.043 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 1.776 3.526 3.340 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 8.459 -14.175 -13.456 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 -16.308 14.160 -6.975 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 2.711 -0.179 -4.599 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 1.085 17.851 0.395 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 -5.092 -30.878 -5.422 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 -2.622 3.056 -9.891 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 -15.945 16.737 -8.461 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 -5.502 14.950 -0.417 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 1.939 5.067 6.234 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 -11.409 4.089 5.590 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 10.931 -4.164 2.305 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 -2.564 3.329 -0.018 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 -9.559 -33.920 -11.088 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 0.561 -5.929 -3.169 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 -5.727 8.659 0.286 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 -14.343 14.781 -7.546 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 -18.225 -7.889 1.756 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 -1.180 -3.428 -0.313 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 -2.252 -1.900 16.531 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 -6.790 -3.884 -20.647 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 -0.555 -5.447 1.592 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 3.245 -5.672 -8.932 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 8.464 -6.890 -20.876 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 3.799 -4.226 3.412 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 16.551 -23.391 4.553 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 -7.944 -2.899 1.549 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 -8.460 -1.365 0.658 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 10.896 -10.641 -11.917 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 -1.561 1.064 19.717 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 -5.680 4.779 4.897 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 -9.771 24.597 -23.220 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 3.844 -19.363 -23.612 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 -4.507 0.622 9.592 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 11.095 0.909 18.481 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 -13.910 -21.017 13.579 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 3.580 4.535 7.695 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 2.530 5.955 7.617 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 -8.248 -15.171 -14.785 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 0.983 5.008 1.443 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 -5.118 4.704 6.739 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 12.493 5.516 6.200 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 -5.079 1.057 -5.065 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 25.496 -3.040 -0.441 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 4.117 -1.834 -1.195 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 -6.875 -2.848 6.003 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 -9.281 -1.078 5.553 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 17.440 -8.039 12.773 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 2.665 -1.304 -7.885 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 16.207 -7.284 -3.477 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 1.455 -4.300 7.404 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 -0.105 2.896 1.969 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 0.590 3.186 1.663 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 -0.980 6.783 4.018 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 -0.925 0.680 1.474 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 11.849 -6.103 18.465 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 12.672 1.480 6.879 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 -3.792 -4.078 -3.867 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 -0.276 -17.355 5.708 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 19.699 -7.137 4.072 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 1.782 -4.588 -0.764 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 -23.932 11.331 11.257 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 -8.132 3.356 3.855 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 -4.807 1.692 2.535 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 29.130 -5.136 3.235 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 -9.925 14.532 -15.074 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 -3.153 0.910 -2.380 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 8.002 -26.366 4.698 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 -16.164 -8.004 3.557 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 4.605 1.506 -3.168 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 9.866 -0.675 4.169 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 13.057 5.605 -9.209 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 5.127 4.253 -4.993 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 0.270 -7.724 -2.892 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 16.527 0.195 -15.929 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 -9.459 -0.448 -1.006 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 -11.393 4.779 8.613 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 7.554 9.395 24.721 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 -2.210 1.431 -5.716 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 0.278 0.621 -19.121 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 13.761 10.996 -1.666 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 3.256 -3.656 4.575 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 3.547 -4.354 5.419 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 -6.512 -9.135 9.415 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 -2.764 2.170 -3.278 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 2.125 4.161 -3.115 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 0.490 3.164 1.428 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 -1.569 -5.248 -6.366 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 -3.577 -5.629 -7.473 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 -6.752 -13.488 -24.112 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 1.988 -2.712 -2.270 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 -12.743 -4.388 8.454 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 -7.308 -3.786 -17.691 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 -2.608 1.206 2.987 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 -4.303 -12.498 -5.647 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 9.403 -15.527 10.644 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 -7.187 3.681 0.736 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 -22.637 -8.900 -27.178 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 -5.503 16.850 1.099 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 -0.650 -2.992 -4.603 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 1.506 -12.993 1.426 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 2.116 3.516 -1.579 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 -5.319 -5.941 -2.046 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 9.822 -15.252 -5.125 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 -13.736 -10.034 2.086 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 -4.879 7.698 -6.560 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 -5.130 -0.916 -11.972 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 -6.758 20.531 2.510 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 -9.043 -0.497 -3.408 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 -17.021 -6.199 1.188 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 6.796 9.078 -11.978 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 5.287 0.617 -8.108 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 -5.789 9.332 -12.483 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 11.939 -8.592 -6.662 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 3.485 -0.498 1.238 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 6.051 2.907 -0.319 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 -3.974 -10.409 6.128 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 5.997 3.679 -6.609 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 2.708 8.429 -0.886 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 5.693 1.968 -4.030 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 -0.300 2.213 -1.931 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 -5.254 -14.508 -3.304 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 -5.262 -11.897 -17.764 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 -3.671 2.052 -0.860 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 12.716 4.521 -10.074 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 8.621 22.550 -13.213 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 -0.944 1.164 5.949 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 -21.255 11.863 2.101 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 -0.134 -26.409 16.655 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 -3.516 2.409 2.901 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 -8.555 -10.851 16.898 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 31.037 18.287 -6.273 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 3.650 -3.891 5.534 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 -0.130 5.630 -13.495 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 8.663 1.608 13.518 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 -3.601 4.999 -0.973 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 -20.349 3.518 -15.038 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 20.167 -20.570 18.441 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 4.471 -4.172 -0.873 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 -20.491 15.565 -18.231 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 11.251 -6.372 8.004 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 3.811 7.355 -3.034 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 4.268 -4.039 4.574 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 8.690 -12.323 -6.864 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 -4.644 -0.617 -1.847 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 -2.205 5.575 6.124 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 -0.364 -5.862 -0.640 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 -2.193 -2.074 2.783 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 -9.553 13.634 -19.155 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 18.945 8.324 -15.438 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 -0.738 -4.355 -0.083 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 0.927 -4.851 -22.442 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 0.320 -4.424 -15.156 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 -4.388 5.557 -3.288 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 7.139 1.168 -13.468 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 1.450 -12.123 -21.176 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 3.140 -0.758 -3.498 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 -5.536 8.155 -11.863 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 8.679 -2.924 -0.953 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 7.917 2.519 3.834 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 10.039 0.917 0.005 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 -23.325 -2.562 11.568 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 -1.651 1.683 -7.224 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 -4.400 -1.816 -5.311 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 -10.643 -16.286 3.441 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 -3.456 -4.476 6.730 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 -4.155 4.670 -4.850 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 -13.971 12.865 10.343 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 -8.422 2.655 4.252 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 -7.741 3.273 3.342 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 -9.661 0.451 4.767 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 5.052 2.064 -4.958 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 -1.150 8.052 -13.993 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 0.192 12.250 -23.108 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 -5.591 -4.928 -8.179 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 26.011 -5.167 6.236 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 21.485 2.051 -8.638 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 -5.908 4.254 -9.450 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 4.238 11.388 -14.165 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 -14.240 -4.896 -19.377 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 -2.434 -1.582 -3.731 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 2.580 -27.660 8.524 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 6.821 2.861 -30.166 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 2.240 5.639 -0.771 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 10.803 26.172 -0.610 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 23.673 -19.949 4.009 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 -2.232 -1.065 -7.479 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 -9.939 0.494 -35.037 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 13.928 3.001 -5.658 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 3.832 4.711 9.881 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 1.870 3.590 -8.305 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 -2.210 -1.560 -29.014 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 2.663 10.709 -7.499 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 7.008 4.217 1.888 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 11.946 -4.885 25.733 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 -0.425 -1.665 -1.552 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 -2.510 -23.792 5.689 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 10.373 3.444 16.635 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 1.218 4.040 2.875 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 8.964 -8.589 -3.789 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 5.511 -1.402 -12.475 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 -3.585 1.240 1.721 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 -1.149 -21.491 0.176 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 3.258 13.481 5.515 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 -1.075 -4.844 -6.908 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 -11.753 -24.749 13.716 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 -18.674 12.491 -6.122 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 -9.700 -1.785 -9.058 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 -16.825 11.875 -2.810 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 -16.456 -11.011 -6.002 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 1.203 -3.898 -3.495 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 8.362 -5.827 -10.680 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 -1.207 4.136 -5.844 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 2.690 2.073 5.180 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 3.065 4.735 -8.450 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 8.157 -0.924 12.946 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 -3.101 -3.774 4.488 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 9.652 -8.119 -2.641 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 -1.841 -3.242 11.039 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 3.150 1.479 4.076 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 8.713 2.502 15.639 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 -7.013 -0.102 -7.692 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 -4.898 -2.322 1.128 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 -9.234 14.899 7.325 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 -5.320 12.592 3.512 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 -3.373 -11.465 6.449 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 -7.627 17.757 19.862 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 -4.134 -2.720 9.101 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 -2.744 1.490 -1.811 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 -4.704 8.491 0.727 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 0.813 -10.942 -10.243 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 6.464 -2.319 -1.021 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 0.523 -8.687 4.107 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 -2.361 25.211 0.023 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 -2.398 -3.983 -5.488 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 -8.966 -3.998 -9.660 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 16.756 -14.225 -2.597 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 -4.379 1.691 0.543 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 4.064 -18.247 -13.376 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 3.698 -4.365 25.075 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 -8.673 -1.827 7.650 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 -21.828 7.522 -10.420 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 -0.179 -5.361 -0.099 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 3.912 3.056 3.806 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 1.042 4.266 4.529 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 7.642 -1.491 4.751 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 -5.545 3.117 5.614 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 -8.375 9.864 4.613 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 -12.297 7.215 5.647 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 4.801 -0.774 -3.692 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 -2.371 -7.699 -7.442 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 8.931 -1.082 -0.909 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 1.236 1.440 -10.982 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 4.091 -26.799 0.863 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 -0.193 0.045 -31.943 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 3.154 -5.311 3.752 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 5.202 -1.581 12.196 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 -0.386 -11.682 -10.190 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 0.831 8.679 2.464 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 5.080 4.375 -2.418 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 -0.756 8.729 8.090 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 -0.704 6.660 -4.191 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 -8.401 1.771 -15.830 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 -2.739 6.107 2.303 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 -1.611 -1.075 -2.379 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 1.912 -16.078 -14.143 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 -3.558 -0.204 6.584 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 4.328 -0.196 -4.174 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 -10.206 6.330 16.624 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 3.188 16.129 14.258 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 3.223 -0.949 2.304 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 -5.106 -12.526 1.571 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 21.554 4.120 -2.686 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 -7.278 2.119 -0.462 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 -6.390 1.967 -8.975 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 -7.776 1.218 2.639 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 3.440 -0.205 -0.043 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 -3.863 21.524 -12.297 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 -4.071 6.129 -14.918 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 -5.450 -0.423 1.029 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 -22.435 6.589 -4.194 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 -5.549 -0.985 -14.386 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 2.007 3.992 0.823 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 13.447 0.640 11.759 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 12.484 -1.116 12.799 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 6.037 -5.117 -0.371 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 6.365 11.943 -7.527 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 -6.203 -8.859 -9.844 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 1.410 2.580 -2.472 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 -4.995 12.175 -0.464 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 -0.527 -7.208 10.400 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 -2.825 -0.169 1.712 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 -13.788 -0.524 3.771 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 -10.034 -9.060 7.357 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 -6.941 7.114 7.172 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 1.483 18.148 7.110 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 -8.872 10.437 17.049 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 0.453 0.493 -4.518 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 -14.348 -4.835 -13.329 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 15.594 -17.040 19.220 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 4.473 -0.546 -2.777 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 -8.279 -0.991 5.885 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 2.375 0.985 0.571 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 -3.740 3.947 -1.988 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 -11.390 4.471 3.742 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 4.824 1.422 -4.591 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 -0.381 2.244 -2.757 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 -23.849 10.244 1.421 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 -16.272 9.547 -3.499 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 -5.133 1.497 6.168 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 -12.835 -1.158 -0.075 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 9.226 1.239 -26.152 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 -4.865 -0.802 0.083 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 -6.981 3.541 7.932 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 11.380 -2.220 0.559 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 -1.208 9.246 -1.035 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 -17.486 2.342 5.284 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 -14.759 4.045 -7.294 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 -1.838 -5.085 -0.364 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 29.310 2.636 1.973 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 -2.361 -1.410 1.595 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 6.702 -2.686 2.417 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 5.756 4.309 2.721 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 12.726 -18.720 0.995 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 2.708 -4.459 -0.973 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 31.837 -14.078 -1.159 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 13.457 -17.844 3.078 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 1.758 3.760 6.489 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 3.271 3.874 9.479 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 -1.287 -0.294 5.853 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 -4.016 0.893 2.746 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 -5.660 7.027 -16.169 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 -3.901 6.442 -13.961 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 -5.880 6.027 3.254 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 -2.539 -9.214 2.613 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 7.258 -3.325 -10.543 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 3.066 1.199 -6.448 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 4.739 0.291 -8.132 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 2.587 -11.016 -9.445 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 -1.115 -0.295 -6.095 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 12.455 18.109 14.800 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 -17.429 -4.582 -29.629 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 -2.864 2.857 -0.142 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 23.866 9.941 24.407 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 -4.214 -2.786 -4.384 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 -3.499 -4.193 4.029 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 7.897 7.086 -11.333 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 -3.712 -7.156 1.671 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 -6.841 6.572 -1.645 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 -10.991 11.593 -12.118 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 11.336 -1.422 -2.132 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 2.001 -5.301 -0.481 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 -6.017 -13.263 6.843 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 1.185 0.149 -3.855 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 -0.497 -3.216 6.500 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 10.358 3.174 -34.736 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 -12.651 -20.304 -12.854 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 -6.570 -4.937 -0.915 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 -2.115 -3.013 -7.633 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 -9.730 -14.444 -0.980 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 5.509 5.063 4.591 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 12.447 -14.015 19.421 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 -2.414 -15.564 -17.504 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 0.881 1.859 -2.391 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 -9.243 3.306 -4.025 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 -9.784 -9.391 -12.849 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 -2.371 -1.748 -0.679 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 -12.990 11.461 17.337 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 11.283 -9.215 12.512 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 3.626 -4.196 1.210 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 -2.417 -4.654 0.867 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 2.209 8.528 9.252 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 1.672 3.462 7.622 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 -8.006 18.449 0.997 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 4.639 2.602 4.656 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 -2.699 -7.059 6.757 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 -0.808 -10.324 17.567 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 -12.963 -5.850 2.765 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 -4.964 6.335 -4.321 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 -3.456 5.208 -3.773 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 -6.163 1.735 0.568 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 -1.265 0.063 1.033 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 15.045 26.472 -1.640 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 13.344 -27.119 -11.144 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 0.143 -4.162 -0.504 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 4.031 -13.033 2.272 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 -5.869 -6.397 7.366 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 -2.046 -4.750 0.839 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 -3.089 -21.867 -4.914 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 -37.547 6.980 25.128 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 0.322 -5.401 1.444 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 28.682 -25.131 -2.542 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 1.652 -8.914 0.101 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 -5.503 -5.015 -0.687 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 -10.965 0.507 -6.358 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 -8.486 8.188 -12.159 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 2.188 -0.609 2.065 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 -17.140 14.860 -6.591 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 0.777 -5.081 2.800 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 -0.998 -1.016 3.060 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 11.025 -3.071 6.430 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 14.570 17.122 1.138 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 -14.743 -3.749 3.412 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 -18.049 -8.506 -7.752 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 -10.961 -1.759 4.223 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 2.702 4.848 6.402 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 22.048 -6.792 -4.249 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 19.153 -11.098 -8.908 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 4.262 -4.155 5.582 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 21.530 5.148 0.936 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 14.622 1.269 2.360 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 -1.663 2.573 5.060 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 -0.112 1.278 5.126 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 -25.820 7.117 -7.564 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 0.270 1.302 2.201 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 8.118 -5.638 -18.105 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 14.035 0.260 7.349 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 2.159 1.382 0.172 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 26.114 -7.614 -24.626 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 5.481 0.542 19.119 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 0.303 3.243 0.883 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 6.245 6.046 5.718 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 4.654 -2.078 -8.050 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 -1.649 -5.153 3.140 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 -7.049 2.992 4.690 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 -10.846 -13.914 12.968 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 -0.978 1.059 -4.857 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 1.394 -3.331 -7.899 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 -13.372 0.686 29.838 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 1.006 -8.297 -3.388 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 3.612 7.458 2.635 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 -9.659 -13.254 -17.550 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 -0.622 3.311 -4.555 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 -1.827 -16.643 -13.410 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 -3.502 -7.563 -1.566 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 -6.336 0.281 0.138 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 -14.025 8.154 -4.756 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 3.347 4.907 1.326 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 0.051 -2.683 8.515 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 18.072 14.692 11.366 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 4.293 -24.645 -3.404 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 1.816 -3.348 5.099 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 0.966 -7.817 -10.983 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 2.325 -4.300 -6.194 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 2.485 6.076 1.069 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 2.113 7.167 -3.332 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 2.220 7.440 -32.051 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 5.166 -9.243 5.624 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 -6.176 -23.789 -4.475 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 -2.565 4.429 0.359 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 4.554 -9.874 -2.976 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 -11.181 13.459 0.285 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 22.259 -5.921 -19.241 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 8.649 -2.969 -2.945 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 0.301 -22.909 8.937 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 2.764 45.071 -15.677 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 -0.747 1.406 -3.282 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 -4.169 -4.219 -3.165 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 7.029 -19.435 18.870 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 -0.611 -1.999 -4.494 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 -9.916 -4.395 4.994 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 0.132 -6.975 -1.954 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 -2.643 1.794 -8.211 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 -4.133 8.240 -24.860 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 5.697 0.022 3.000 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 -4.591 -2.319 5.302 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 3.704 -8.463 5.770 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 0.387 -6.645 7.216 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 -4.482 2.270 10.306 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 2.645 23.344 -1.982 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 -8.465 6.809 2.997 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 -7.946 -0.136 0.710 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 3.654 -2.713 -9.407 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 28.274 9.482 -14.352 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 -3.224 0.407 -1.281 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 8.061 -1.467 8.350 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 -8.844 -12.102 -5.147 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 -4.182 -4.909 1.850 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 -7.058 32.691 -6.822 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 15.469 -15.563 -6.219 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 4.657 -3.340 7.275 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 5.551 5.998 6.405 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 -2.706 1.006 11.728 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 3.783 -1.959 3.654 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 12.524 3.131 4.075 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 18.584 9.281 -0.129 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 -1.102 1.348 1.269 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 -6.896 -2.997 9.033 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 -18.279 -10.149 24.243 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 3.860 -0.020 -1.725 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 6.956 3.199 -1.282 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 -18.260 17.846 12.887 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 7.947 5.495 -2.046 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 -12.264 4.767 -10.438 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 -1.746 -22.997 -6.510 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 -9.793 1.167 7.549 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 17.272 1.253 -3.625 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 -12.834 3.109 -0.016 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 0.164 -0.465 3.809 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 13.442 4.739 8.065 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 10.660 1.140 1.916 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 -0.346 -4.662 -1.291 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 15.273 5.473 -10.433 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 -35.424 -5.819 -17.530 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 2.720 2.749 2.668 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 -3.741 -6.834 12.312 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 -1.625 1.466 -12.391 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 4.439 3.922 1.838 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 7.471 2.569 3.110 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 -16.477 3.025 4.019 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 0.367 3.772 1.273 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 1.896 6.499 -10.302 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 -6.004 6.655 -4.589 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 6.379 12.130 2.312 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 13.429 6.106 17.175 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 6.577 11.109 3.044 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 1.721 0.952 2.736 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 -3.848 -15.661 10.481 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 -4.973 -19.867 5.363 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 0.954 -0.684 1.999 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 30.261 20.029 -7.800 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 14.027 -32.141 13.419 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 -1.715 -2.213 -2.573 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 -24.327 -0.946 12.273 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 -3.777 13.221 -32.142 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 2.507 -6.458 1.844 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 9.498 -3.258 10.056 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 17.463 -17.812 -15.961 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 4.100 0.439 -1.758 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 1.018 -6.459 9.476 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 -14.840 -1.896 -30.370 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 -0.435 -3.113 6.026 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 -3.831 4.887 8.489 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 -7.281 13.148 -4.642 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 -6.067 2.911 -0.937 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 -16.123 -8.881 -15.210 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 -12.143 -3.621 -6.338 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 8.040 2.255 -5.371 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 -17.676 -20.022 -13.329 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 0.294 -10.946 -7.008 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 -2.699 2.141 -3.400 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 -7.259 16.479 -11.417 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 -0.205 -3.794 -2.346 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 -0.454 -1.294 9.272 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 2.621 -5.489 10.937 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 -28.313 20.085 8.146 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 0.192 -2.452 -3.377 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 13.545 6.897 -31.122 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 -6.775 1.508 -4.795 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 0.028 -6.343 -4.067 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 -8.519 -5.524 -19.783 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 -3.417 12.154 2.641 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 1.643 3.446 4.816 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 -7.229 6.136 5.242 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 -5.595 10.195 -0.375 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 -5.015 -3.998 -5.983 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 17.630 5.875 13.908 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 -3.183 0.910 -24.562 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 6.050 -0.728 1.826 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 16.712 -4.629 -2.755 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 -9.236 4.769 -5.556 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 6.354 -1.036 -3.419 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 -5.832 -33.057 36.950 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 -20.264 -12.925 6.367 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 3.071 -5.355 -6.911 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 -1.580 14.854 -9.378 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 -0.158 5.285 -7.051 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 -0.336 1.803 3.559 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 -7.348 9.666 5.336 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 8.114 5.943 -8.924 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 3.899 -5.583 1.254 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 11.250 -12.342 -0.407 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 -0.077 1.615 1.375 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 4.628 10.434 -1.379 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 -2.661 -7.402 -6.924 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 -5.217 2.841 3.984 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 -7.328 1.776 1.531 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 -5.540 9.723 -30.996 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 17.438 6.869 -31.562 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 -2.436 -0.287 -4.835 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 -0.338 -5.542 -11.480 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 2.594 -28.609 4.120 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 0.448 4.300 -0.601 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 10.910 8.270 -8.442 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 -1.163 5.859 9.655 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 -6.007 2.101 -1.159 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 -7.871 0.957 2.726 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 -0.513 -1.994 -7.542 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 0.279 -4.225 9.270 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 -1.398 8.096 11.327 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 -13.477 -17.621 17.335 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 -2.464 3.294 -0.538 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 -10.411 2.005 -14.058 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 -8.014 0.674 6.857 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 -3.337 11.673 -0.121 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 -8.641 11.159 5.486 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 10.267 1.559 11.589 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 -6.830 0.603 1.175 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 -10.824 1.404 6.545 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 7.097 -0.683 -6.960 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 3.372 3.470 -0.715 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 -5.228 11.955 -15.246 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 9.680 23.308 -28.534 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 1.276 -4.209 1.030 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 -8.459 -2.910 6.029 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 16.843 12.001 1.316 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 12.405 3.040 11.753 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 9.851 22.782 22.998 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 22.817 -23.970 17.508 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 -1.875 -3.313 -1.658 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 -23.453 -13.720 -15.036 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 -6.888 24.877 3.480 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 5.938 -3.478 -8.146 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 -0.026 -5.671 -17.795 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 4.992 8.836 -4.353 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 1.408 -3.556 -1.057 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 -5.914 -17.015 32.375 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 5.030 8.609 -2.554 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 -2.264 5.194 5.635 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 -24.269 11.791 -23.606 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 17.966 -8.970 16.800 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 -6.033 6.160 -5.427 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 11.352 21.940 -17.123 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 -8.786 9.831 2.425 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 2.209 2.171 0.473 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 13.007 -6.182 8.446 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 8.726 -1.922 0.622 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 0.564 -7.855 3.534 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 9.973 -12.168 13.938 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 5.211 -1.805 10.213 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 3.604 0.428 1.850 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 6.041 2.037 3.302 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 1.921 2.500 -2.019 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 -1.260 6.903 0.112 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 -3.555 17.586 -3.389 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 -3.259 2.443 6.918 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 4.199 -1.312 0.606 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 -1.451 6.185 10.844 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 15.697 -14.859 -0.806 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 -0.091 -2.341 -8.655 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 -9.434 5.754 -14.839 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 -13.778 6.664 -3.101 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 -1.282 8.368 6.034 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 29.702 10.634 -9.080 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 -20.813 7.756 -16.563 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 2.185 2.535 -2.284 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 16.182 8.717 -10.572 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 16.812 -19.466 3.753 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 -5.741 7.038 0.864 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 -2.946 7.872 -22.938 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 8.675 8.054 4.662 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 -0.753 -1.089 1.516 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 -8.171 5.563 -9.451 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 -12.128 8.692 -14.865 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 -0.183 4.564 -0.458 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 -34.201 -11.903 12.712 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 7.523 6.474 5.824 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 5.167 -3.159 -2.803 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 2.946 29.949 13.635 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 4.160 10.184 -2.077 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 -0.356 4.719 -3.604 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 5.951 -7.230 -23.732 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 -13.793 -0.349 1.260 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 -4.117 -3.690 1.587 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 -4.180 -1.540 -0.978 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 -0.599 5.849 -7.870 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 3.636 -0.438 -0.290 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 -6.020 4.325 -5.479 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 -6.315 2.557 31.583 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 -1.275 4.550 0.807 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 2.872 11.361 7.638 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 -7.056 9.884 -16.866 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 0.800 -3.614 0.573 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 35.138 -11.030 -5.384 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 -7.058 -1.874 6.903 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 2.063 -4.325 4.045 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 -4.254 -8.567 5.140 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 2.708 0.803 -2.509 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 -3.910 -4.487 -3.100 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 3.577 -14.185 5.994 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 -10.324 1.838 -16.814 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 -0.921 1.417 -1.268 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 0.348 -23.796 22.245 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 -26.772 -2.689 1.748 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 7.852 4.589 -7.572 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 2.925 1.964 -10.310 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 -15.251 -8.960 -19.477 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 4.781 2.499 2.068 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 -5.376 0.134 2.922 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 14.726 11.042 0.693 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 3.249 0.817 -6.983 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 -8.846 31.590 -11.060 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 -16.968 -0.933 13.249 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 -3.912 1.400 -0.037 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 3.107 5.208 -10.469 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 -17.207 -2.717 -6.876 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 -1.869 -3.051 -3.208 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 -14.324 -21.385 1.584 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 -15.394 12.811 -7.154 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 1.098 -3.575 -3.025 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 16.196 13.651 -9.842 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 -5.866 -26.421 -17.507 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 -0.183 1.093 1.229 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 -8.366 -2.203 2.160 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 15.369 9.354 0.272 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 3.330 -1.208 -1.722 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 -2.387 7.865 -0.780 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 -8.590 15.288 6.412 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 2.676 -4.111 6.809 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 8.096 13.237 10.416 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 2.323 -7.962 37.509 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 -3.349 -7.100 -1.909 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 -3.335 -7.059 4.377 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 0.984 -6.135 18.712 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 -6.415 3.351 5.851 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 0.028 10.075 8.089 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 -5.552 7.713 -3.489 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 10.908 -1.426 1.705 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 23.796 -10.374 -4.912 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 1.529 -11.503 10.254 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 0.474 -3.629 5.210 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 -6.159 -5.944 4.411 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 -2.624 16.641 -11.917 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 5.531 -4.150 1.552 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 -5.344 1.065 -13.104 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 -1.477 2.140 10.047 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 -2.173 -0.066 -0.030 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 -14.235 -9.134 29.749 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 -15.351 10.146 -3.482 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 -0.569 -1.737 2.205 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 -6.020 -12.624 4.554 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 -0.065 7.621 4.655 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 3.200 0.268 -3.294 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 10.131 -1.781 -6.243 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 -22.088 3.487 -9.269 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 8.644 0.252 -0.202 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 -3.546 -8.560 -6.997 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 8.374 -1.017 2.768 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 4.535 -6.033 -2.812 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 11.746 -21.779 -9.432 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 -16.304 -5.164 2.751 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 1.180 -0.873 4.455 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 -0.449 -12.949 -0.117 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 -1.486 -14.409 12.195 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 3.920 4.898 3.395 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 -20.527 -15.285 4.979 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 8.599 17.264 25.391 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 -0.790 2.474 -1.670 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 8.487 4.165 -0.551 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 -8.403 5.178 -5.226 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 -1.194 1.922 -7.650 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 -6.834 2.443 3.480 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 2.565 -21.755 21.793 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 -4.827 -1.164 2.726 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 7.907 -0.814 -15.586 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 12.750 4.438 -1.051 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 -0.644 4.628 -3.247 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 -7.713 32.613 13.249 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 -2.192 13.446 1.995 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 -5.018 -3.802 0.383 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 -16.128 -17.388 12.300 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 -5.768 -6.670 4.209 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 0.038 -2.400 3.045 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 -12.403 -7.613 1.300 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 4.173 8.326 6.606 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 -1.937 -5.633 -0.872 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 -1.821 -9.639 10.268 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 -2.464 6.466 -2.476 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 4.517 -2.376 -2.549 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 0.717 -1.229 21.340 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 -14.795 -18.641 -0.223 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 -5.686 -8.887 0.798 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 -10.495 -7.275 -1.085 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 -8.105 -7.628 5.331 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 -1.111 6.189 2.217 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 -4.965 5.145 -0.701 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 4.700 9.139 2.339 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 3.008 2.199 3.602 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 11.216 -10.754 8.745 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 -3.944 7.512 9.670 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 6.772 -2.405 5.083 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 -1.046 2.767 -13.651 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 0.229 -2.425 3.395 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 4.503 1.049 2.085 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 -0.774 -10.129 -9.836 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 22.101 3.989 6.124 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 -6.082 6.384 1.867 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 -1.691 -12.131 7.370 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 -6.104 16.538 -1.778 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 -4.974 5.693 2.125 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 8.419 -13.526 30.805 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 18.671 0.055 -6.908 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 3.894 -6.972 0.328 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 -14.156 -10.895 5.368 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 9.650 4.553 -1.687 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 -7.162 -7.415 3.348 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 -3.464 -8.206 4.523 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 -27.081 -3.293 7.303 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 -2.737 -3.638 3.399 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 15.881 3.070 11.774 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 1.691 -1.170 19.662 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 -6.728 -11.392 -0.678 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 3.365 -8.376 -4.735 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 -8.067 -3.997 6.196 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 3.995 1.947 3.139 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 1.385 24.405 29.025 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 11.122 4.339 -5.757 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 2.408 -2.119 1.662 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 3.223 -4.695 -1.374 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 -12.873 13.548 2.300 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 -0.487 2.629 1.561 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 1.584 14.647 12.067 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 -9.119 5.877 0.133 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 -0.699 -7.420 -5.510 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 -7.493 -2.482 -13.430 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 6.094 -0.284 -15.286 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 1.441 1.859 0.466 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 3.106 -17.877 -14.419 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 -4.632 2.747 -0.942 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 -3.258 -0.018 -2.040 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 8.421 -10.339 -26.485 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 -3.155 1.565 -2.334 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 4.408 -6.131 2.310 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 3.172 -0.830 11.517 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 -3.666 -12.617 16.548 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 -0.492 -5.845 6.172 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 -15.751 1.907 -11.860 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 6.119 -7.496 -5.488 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 0.689 6.419 0.213 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 -8.316 -13.819 -10.429 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 13.009 6.915 1.696 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 4.814 0.571 1.207 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 -1.610 5.234 15.261 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 -1.003 12.854 -1.540 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 0.199 -7.266 3.468 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 -8.462 -21.852 9.105 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 -9.937 -27.403 9.943 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 -0.098 7.503 -1.689 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 12.262 -7.181 -18.050 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 -16.371 -10.239 18.384 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 -6.839 -4.226 -0.956 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 -9.358 4.695 -1.374 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 7.518 6.939 22.801 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 -0.953 -2.771 -3.282 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 1.707 -9.268 -15.051 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 6.714 -1.798 -4.724 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 -8.012 -4.101 -2.305 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 1.806 11.474 -13.177 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 -1.600 1.492 -5.307 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 -5.966 -1.455 -1.395 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 6.326 3.397 9.234 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 10.939 -8.122 0.599 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 3.526 2.870 -1.679 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 16.698 3.701 13.330 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 -8.960 3.027 -5.287 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 0.715 -8.886 1.665 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 10.201 -9.819 12.173 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 11.581 -4.522 -9.494 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 -3.505 -2.940 5.617 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 -25.143 -12.707 2.261 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 20.466 -2.665 14.442 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 -2.757 0.746 -1.407 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 -9.092 19.333 4.777 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 0.491 6.828 15.921 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 -1.177 -0.417 -1.441 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 15.989 8.874 9.099 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 12.515 5.895 7.158 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 -2.590 -5.443 -4.623 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 1.542 -15.918 -1.707 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 5.281 5.772 -6.145 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 -3.648 1.282 1.294 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 2.302 20.821 8.425 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 6.329 -13.258 -16.574 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 3.763 -3.134 -0.583 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 5.621 16.680 -7.505 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 -11.285 -24.894 -0.747 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 4.783 -5.024 -5.976 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 -4.347 -5.497 -11.896 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 -12.720 -6.511 1.980 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 0.296 7.091 1.391 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 2.822 7.460 -5.805 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 -9.035 13.152 2.631 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 1.018 -1.415 5.895 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 -2.793 0.256 2.875 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 3.000 -2.419 7.090 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 -0.003 0.173 3.533 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 -1.039 0.183 3.308 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 7.529 -8.573 13.394 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 -1.049 8.787 1.163 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 0.674 11.012 -0.032 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 -2.217 9.786 -2.767 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 -2.277 4.041 2.822 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 13.676 -2.108 -0.420 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 -23.479 13.970 9.637 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 -0.995 -5.769 1.856 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 -2.567 8.525 6.044 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 25.542 -16.792 8.192 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 -2.527 5.725 -6.066 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 -1.856 13.893 -8.640 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 -36.974 19.971 -13.781 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 2.273 0.785 1.209 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 5.934 -1.547 2.799 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 29.469 7.269 -3.646 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 -0.574 -1.010 -2.675 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 3.735 5.414 -8.777 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 11.568 10.257 1.452 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 1.601 -7.977 4.923 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 -3.292 -17.040 9.465 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 -18.167 -8.345 -15.371 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 1.743 -2.808 -4.899 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 4.056 -13.334 -31.001 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 2.981 2.943 8.922 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 -1.034 7.289 3.001 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 0.441 6.236 5.681 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 -11.152 -13.148 -6.756 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 6.305 5.568 -8.514 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 4.460 -2.391 -4.460 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 -17.498 4.132 -17.858 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 0.018 -1.756 -1.338 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 -1.011 -1.924 -0.799 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 0.591 0.489 -3.085 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 0.198 0.021 3.234 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 10.337 21.767 -18.995 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 -16.429 -26.904 19.216 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 -1.534 2.414 1.901 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 -7.790 12.821 -1.246 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 0.982 2.695 0.078 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 -1.953 2.425 3.535 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 0.912 23.742 -6.306 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 -11.991 -18.479 -25.783 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 -2.781 -5.485 7.900 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 4.939 -19.297 -6.237 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 15.999 0.381 15.551 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 -2.297 -0.147 -1.572 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 -6.281 7.454 8.258 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 -19.520 28.719 22.527 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 2.110 -1.268 -2.442 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 -17.808 -22.237 -1.188 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 10.696 22.995 20.961 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 -7.098 -1.691 -1.554 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 25.012 9.176 -2.045 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 0.549 -5.904 18.564 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 -1.721 8.655 0.986 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 -0.504 9.449 1.522 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 9.349 -18.370 -8.755 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 -1.010 5.243 -0.912 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 25.288 -0.825 -12.446 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 -2.922 -3.415 22.300 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 0.622 3.785 -0.892 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 31.148 26.591 1.171 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 -7.159 -8.187 9.071 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 0.339 3.610 -1.546 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 -4.566 -6.104 -14.378 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 1.140 12.779 9.965 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 -0.784 -0.245 -2.871 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 -8.458 -1.779 -0.121 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 10.483 0.588 -6.106 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 -4.289 0.528 8.085 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 -7.411 11.394 11.934 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 6.072 -13.261 7.414 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 -0.060 -6.933 -3.288 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 12.484 -1.648 2.722 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 -8.712 1.939 11.069 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 6.783 1.556 -3.317 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 10.733 5.002 -6.671 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 19.065 10.020 -11.979 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 -7.903 -1.845 1.673 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 -6.736 -4.512 -1.462 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 -14.067 5.402 10.744 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 6.116 5.659 -2.547 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 0.397 -1.516 -20.781 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 -0.482 -5.263 -28.808 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 2.275 0.137 1.627 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 -6.057 0.079 3.162 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 -18.117 -39.847 -6.566 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 -1.455 4.936 0.303 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 -7.048 5.079 -3.134 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 5.724 3.295 5.764 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 0.376 3.921 -10.194 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 -9.064 16.002 -0.737 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 16.963 16.923 -10.045 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 -0.357 -1.726 -3.628 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 23.911 4.077 8.190 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 -12.487 -4.592 12.257 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 -0.214 3.518 -2.537 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 -6.866 -25.602 0.947 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 16.521 -18.196 4.618 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 -8.246 -0.415 3.090 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 -14.798 -1.988 5.303 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 2.629 0.438 10.514 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 2.950 -0.894 0.718 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 15.345 -16.168 4.089 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 9.066 13.245 -1.960 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 -0.523 -3.924 -0.428 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 -0.838 -12.943 -1.900 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 3.790 2.384 -6.359 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 -7.802 -1.033 2.605 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 4.675 9.913 9.991 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 -17.372 -15.039 -1.719 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 -6.291 -5.370 -3.237 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 -2.622 3.075 0.698 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 -4.241 -7.475 -1.701 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 2.430 -3.705 4.512 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 -18.063 3.255 11.857 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 8.860 21.037 -16.275 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 1.891 5.147 4.624 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 4.537 27.635 26.973 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 -6.291 0.972 -10.147 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 4.214 -1.058 -0.438 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 -5.995 -4.628 -14.998 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 -3.957 6.222 10.181 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 -3.050 1.061 -0.731 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 -1.102 2.817 -8.741 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 -12.728 4.752 -2.543 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 -3.818 -1.432 -2.387 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 0.960 -5.597 2.093 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 -5.390 6.386 2.839 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 3.203 1.480 -2.884 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 9.850 -4.984 -0.686 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 7.760 2.627 5.502 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 2.635 0.274 0.256 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 -24.292 31.633 30.928 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 -9.601 10.340 10.604 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 3.420 -3.089 -1.425 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 8.676 6.703 -6.436 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 23.313 1.431 -5.132 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 -0.225 5.807 -1.519 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 18.407 15.986 -8.115 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 -1.158 26.317 1.766 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 3.586 1.068 -0.567 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 -6.961 18.130 -5.009 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 15.583 4.827 -2.746 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 -6.077 3.569 -3.717 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 -18.489 -0.588 2.135 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 -25.759 7.609 -4.486 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 6.762 -4.564 3.894 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 4.994 -3.588 -3.996 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 10.890 -1.039 19.813 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 2.683 0.264 -5.831 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 4.162 -24.788 52.013 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 0.665 -6.442 10.262 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 12.609 1.103 2.525 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 -1.703 -1.241 -27.984 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 -19.123 15.519 19.399 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 -5.020 7.800 -3.030 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 -11.429 14.255 3.606 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 -20.436 12.240 9.890 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 -1.570 7.400 -0.479 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 -3.377 -10.085 -0.766 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 -7.809 4.176 -2.001 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 1.685 5.376 -3.527 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 -8.348 0.831 4.873 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 0.076 2.515 2.575 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 3.690 -4.860 2.697 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 -6.777 1.797 -5.749 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 -2.280 -25.115 -1.098 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 2.091 0.174 7.540 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 -15.042 5.597 9.072 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 29.294 -9.434 8.133 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 1.029 3.979 3.959 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 6.780 -2.466 6.949 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 -6.739 -23.659 7.448 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 7.700 1.938 -0.793 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 -0.615 -20.023 -2.317 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 5.954 29.636 5.997 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 1.919 3.099 5.259 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 17.118 7.195 -19.718 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 -2.137 0.757 12.031 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 2.712 4.729 -0.773 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 -2.142 -14.510 -15.222 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 -10.129 3.429 15.612 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 4.247 -2.422 0.019 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 6.329 -9.499 -11.724 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 -4.242 4.295 -20.009 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 0.760 5.465 2.608 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 -28.173 19.727 -14.719 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 6.328 14.930 -8.506 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 -2.401 5.756 6.603 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 14.778 37.335 1.805 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 6.075 -21.453 -9.729 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 -0.161 -3.853 -0.827 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 -6.006 -3.181 -8.696 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 12.288 -1.187 -3.826 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 1.946 -3.910 -1.846 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 11.849 -7.114 -25.433 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 -1.279 10.085 5.104 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 -5.375 -0.609 2.396 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 24.348 -17.208 -11.580 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 -14.766 28.354 25.448 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 -6.520 3.845 2.285 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 -12.580 18.686 -25.739 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 -5.582 20.824 45.755 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 11.903 0.516 1.269 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 5.360 -13.574 6.341 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 12.730 -5.569 3.079 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 -2.749 4.829 6.800 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 -6.207 -8.096 9.955 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 -1.516 11.630 3.834 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 1.120 -3.607 -4.156 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 0.789 -15.792 7.944 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 0.657 -0.246 -15.047 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 0.675 0.971 1.070 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 -16.279 1.320 6.673 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 2.710 -4.278 -12.732 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 2.651 0.949 -0.910 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 10.471 6.394 -7.770 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 0.369 18.055 -22.534 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 2.020 3.536 0.411 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 -5.268 29.487 -17.685 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 -29.366 18.891 9.153 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 -3.096 3.215 -5.182 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 3.018 -19.904 3.516 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 -2.762 3.349 -3.671 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 8.061 2.161 -4.825 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 -23.439 -5.710 10.020 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 6.131 -11.196 -29.049 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 0.538 3.073 5.614 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 -24.808 -12.733 14.925 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 -12.124 -22.708 9.218 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 -0.013 -2.689 -2.961 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 11.368 -5.878 -0.247 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 -2.135 10.646 0.642 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 -0.043 -0.572 -3.905 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 7.747 21.501 14.992 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 -15.687 5.323 -22.384 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 -10.333 -4.597 3.320 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 17.706 7.507 -7.675 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 11.235 -8.622 -3.383 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 -2.808 -2.496 -0.816 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 -8.753 -0.167 12.357 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 -16.286 4.136 -14.487 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 0.253 -2.413 2.151 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 14.627 3.320 15.733 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 -13.459 -3.350 -0.641 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 -0.418 -4.108 -3.885 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 0.359 -1.140 -11.151 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 -11.103 -11.025 10.664 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 5.260 3.199 -6.871 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 12.773 -6.946 -5.428 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 7.823 -1.047 -4.710 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 -3.795 -6.207 2.857 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 3.285 10.122 24.615 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 -1.337 -12.655 -6.247 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 11.071 -0.417 3.954 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 17.887 -9.843 -8.760 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 3.496 8.340 -10.559 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 -6.662 -3.691 6.383 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 -17.799 -6.341 10.815 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 -6.341 6.057 10.079 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 -4.576 -0.447 -0.893 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 22.444 4.000 -15.278 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 -12.881 14.263 -19.695 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 -3.363 0.187 8.485 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 5.037 2.688 1.664 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 3.985 -1.564 15.413 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 2.984 -3.065 -4.813 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 21.333 -8.379 -5.210 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 -4.661 -7.362 21.135 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 -1.062 9.641 0.187 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 5.839 7.046 -1.942 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 12.721 -21.500 -25.572 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 1.314 0.445 4.105 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 -1.377 13.522 -4.249 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 -3.164 2.305 16.857 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 -5.716 0.984 -1.500 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 -6.512 -8.330 20.290 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 -22.085 4.863 -5.713 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 5.754 -1.323 2.173 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 -5.665 19.168 0.353 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 -1.178 6.435 -2.231 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 -2.441 0.278 1.844 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 1.252 -8.862 -0.455 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 -0.971 -16.155 -8.540 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 -2.884 8.420 1.936 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 -13.206 -7.958 15.832 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 13.332 -8.523 13.287 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 -7.417 -0.677 1.085 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 4.568 -2.730 15.996 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 30.136 -6.658 55.455 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 2.929 -2.462 -4.022 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 2.983 -3.749 -3.316 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 8.031 9.339 -18.386 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 -6.142 -0.355 -2.117 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 6.809 8.953 -23.327 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 -12.171 12.802 -14.127 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 -4.280 0.878 -4.852 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 -13.532 18.410 14.172 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 -17.691 18.538 -32.961 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 -0.835 -3.783 0.906 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 -28.463 6.418 14.908 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 -4.779 -34.183 -3.550 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 -0.458 4.346 4.914 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 -0.690 8.411 5.512 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 -5.148 14.757 14.827 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 0.118 -5.715 4.079 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 3.296 -1.771 -13.752 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 -1.666 14.048 16.597 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 1.727 -0.802 0.006 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 7.704 -14.836 10.076 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 4.025 -9.746 -20.774 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 -4.066 -2.842 6.947 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 12.594 -5.758 -8.281 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 -5.647 -25.260 3.644 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 7.014 -2.275 8.997 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 26.154 28.729 0.110 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 17.186 14.248 4.198 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 1.612 -4.725 3.476 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 5.272 -16.344 4.574 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 -0.199 31.649 -6.732 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 -2.259 -1.465 -0.972 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 1.911 0.005 0.833 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 12.362 4.419 -23.962 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 4.273 -0.217 -3.359 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 15.380 30.307 -12.901 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 -0.978 17.753 9.456 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 -0.198 -1.556 4.544 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 -2.451 24.048 -2.452 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 4.108 2.754 10.311 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 8.879 4.323 -4.261 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 0.827 2.350 -7.741 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 10.009 5.448 -18.019 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 -3.635 0.955 -6.421 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 22.849 9.697 -16.359 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 2.846 -5.204 4.374 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 1.969 3.895 -4.716 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 4.234 -17.134 0.651 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 3.732 -11.442 -10.950 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 -8.583 -3.159 3.254 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 -9.916 -1.971 2.465 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 -8.572 -1.244 -2.814 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 0.548 5.136 -12.132 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 9.755 4.127 -10.453 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 29.677 -3.924 -6.806 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 -5.064 1.228 2.587 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 -14.301 -1.079 -17.150 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 -7.047 17.377 16.516 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 1.202 4.165 -5.139 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 -1.053 -4.333 -5.898 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 -21.060 -11.605 12.057 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 -7.170 -0.758 -2.844 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 -5.510 8.288 4.298 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 -4.804 6.013 2.459 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 -4.907 -2.075 0.180 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 6.192 -5.980 6.336 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 -12.381 -14.067 -15.362 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 -2.024 -8.949 -3.802 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 -1.607 0.551 -3.524 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 5.617 -2.997 -0.003 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 -3.961 8.883 1.872 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 -5.045 7.098 2.251 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 8.475 25.510 10.543 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 -0.263 0.170 0.982 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 0.857 5.071 1.158 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 1.963 1.980 14.077 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 3.725 -0.342 0.828 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 8.913 6.186 7.884 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 -5.299 -5.234 -7.882 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 -1.520 -2.526 0.997 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 1.020 -4.329 16.745 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 8.725 -0.529 17.655 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 4.263 -4.992 1.955 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 -8.984 -2.075 -17.468 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 -2.307 -6.256 19.324 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 1.788 -1.427 -0.966 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 12.170 -12.585 -28.690 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 -34.996 -12.392 -19.294 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 -4.271 6.879 6.976 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 -12.080 9.907 5.157 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 -0.414 4.616 8.563 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 2.351 -0.551 1.251 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 -4.993 4.227 9.883 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 -4.321 2.507 -1.032 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 -1.255 -5.355 -0.862 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 10.840 4.384 13.059 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 -5.060 -17.710 13.083 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 -1.484 -1.663 -1.126 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 -25.565 -26.430 -2.509 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 23.884 -6.365 44.169 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 0.973 -2.604 -2.194 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 -5.194 -8.484 10.435 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 17.123 3.004 0.148 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 -4.331 -7.067 6.013 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 10.260 -3.716 -13.033 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 -21.188 -4.012 -6.747 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 8.534 3.258 3.818 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 -5.053 3.964 -5.677 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 -10.199 19.894 13.670 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 -3.991 -0.842 -10.085 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 -12.456 4.550 -2.360 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 -16.525 3.171 -5.329 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 -1.707 7.240 -6.448 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 5.723 -2.313 3.879 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 4.102 -1.381 -5.585 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 -3.714 0.040 4.780 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 -26.513 -1.785 -16.250 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 3.928 30.658 8.962 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 0.195 1.634 0.084 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 35.505 -10.981 5.813 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 -16.646 -23.101 -5.307 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 -6.743 4.025 -6.448 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 21.521 10.153 -19.473 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 11.271 8.604 -12.575 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 3.330 -3.864 -7.296 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 -1.997 -2.778 0.524 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 -4.308 0.477 -1.112 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 3.131 -6.389 -2.515 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 -4.148 11.082 -6.512 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 0.410 -12.908 15.747 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 -1.545 -1.023 -7.310 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 -0.838 14.374 -5.410 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 -3.583 -0.903 -2.369 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 1.731 -2.660 -2.623 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 2.041 -11.996 -7.151 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 10.774 -0.346 1.168 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 1.192 -2.290 -0.313 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 -7.863 1.181 3.193 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 4.187 -0.141 2.889 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 1.492 4.629 1.020 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 -18.802 18.563 11.146 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 -10.272 6.565 -9.214 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 -0.032 0.191 0.548 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 11.119 -28.069 -3.360 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 21.710 -15.244 20.337 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 8.592 -1.247 1.402 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 -31.352 -8.852 -3.146 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 -5.835 -3.143 -10.874 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 -4.550 6.468 1.103 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 1.891 16.405 -1.914 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 -9.492 5.057 5.035 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 2.098 2.942 0.425 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 -0.134 -0.469 -15.679 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 -2.329 -15.101 4.312 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 -1.280 -11.817 -1.104 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 3.295 -14.546 0.540 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 -3.220 -1.913 -7.772 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 3.114 -2.239 -3.943 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 6.038 6.899 1.725 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 -9.190 21.443 -3.772 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 -4.124 5.637 7.832 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 15.942 13.647 19.531 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 0.599 -10.834 2.097 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 2.250 -5.009 9.443 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 -0.850 -9.079 2.250 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 0.947 -0.616 9.677 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 6.873 -3.409 3.191 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 19.509 -6.668 0.274 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 -9.040 -1.416 -6.199 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 -2.546 4.881 -5.595 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 2.449 -2.168 -10.221 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 11.499 15.128 -10.547 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 2.645 10.384 2.640 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 14.995 1.481 -1.650 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 7.072 7.501 -9.030 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 -3.852 -1.076 -1.085 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 6.503 11.531 -5.957 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 -9.826 -1.886 -8.771 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 0.093 0.726 -6.552 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 -1.998 0.478 -5.279 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 10.581 -0.063 -3.605 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 -4.784 -2.478 1.376 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 -0.695 -2.587 4.660 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 -5.949 7.774 3.434 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 10.888 -1.582 -0.465 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 29.440 -23.299 3.225 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 -5.575 -12.908 18.801 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 -1.794 7.011 -0.704 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 -5.362 -12.287 -14.136 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 -21.789 -1.527 -20.813 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 5.809 -8.482 2.262 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 -11.445 -10.707 -2.743 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 12.055 -6.540 4.636 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 3.441 -4.511 5.539 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 -2.258 4.220 -25.388 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 -12.729 -26.455 8.987 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 4.064 0.598 0.401 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 2.230 -6.380 -3.776 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 7.103 12.489 7.525 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 -2.248 -1.701 -7.248 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 -17.954 -31.312 -23.173 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 -23.369 8.278 21.424 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 -1.685 -2.634 -7.776 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 -12.734 8.409 0.573 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 6.266 -11.993 -7.324 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 0.490 3.658 0.912 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 -5.521 -6.802 -0.294 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 1.475 9.507 0.175 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 -2.311 5.233 -6.103 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 7.383 11.408 1.009 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 4.454 -9.917 -7.272 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 2.998 4.604 7.935 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 -8.970 -7.947 16.568 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 -21.429 -10.639 -13.966 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 -1.606 13.073 2.765 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 -33.493 10.368 4.556 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 -3.920 8.439 38.578 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 10.793 1.329 -4.284 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 16.662 16.262 18.943 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 -0.409 -5.045 3.624 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 1.021 -5.123 7.915 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 -1.460 13.101 7.149 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 5.538 1.088 -10.776 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 0.243 13.720 -1.612 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 -1.353 15.017 -4.459 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 -2.105 1.573 -6.857 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 0.616 3.720 5.248 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 22.943 -9.970 -17.866 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 -12.597 22.586 -3.059 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 6.175 1.517 -2.876 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 4.236 -11.246 2.125 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 2.543 7.916 18.582 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 3.559 -5.419 2.034 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 2.884 -4.717 1.975 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 4.980 10.623 9.632 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 6.066 2.244 4.752 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 -15.296 -4.382 23.211 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 -11.570 -7.995 -21.168 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 -2.523 -4.203 -6.952 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 -5.073 0.342 -5.623 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 1.135 -12.708 -10.519 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 4.068 -6.210 -1.674 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 4.095 -5.966 -1.700 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 6.087 -0.786 -1.538 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 -1.565 3.005 9.634 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 3.396 6.629 10.437 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 -4.742 8.080 15.866 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 -5.496 -3.046 -2.590 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 5.812 -14.540 4.550 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 -4.255 11.413 6.088 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 0.080 0.393 3.956 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 13.647 3.264 13.332 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 12.743 12.919 -13.669 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 1.521 1.876 -4.096 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 -2.215 3.245 -15.749 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 -20.832 -4.339 0.347 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 -0.758 1.248 0.739 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 16.491 -0.351 -5.851 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 -2.499 -6.503 2.530 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 0.105 -9.672 -3.272 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 -0.501 -12.269 2.364 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 -0.434 -19.519 -14.399 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 3.594 2.087 -3.350 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 -2.254 4.136 2.088 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 -0.514 -1.122 -10.271 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 -0.476 2.368 7.377 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 -7.317 -4.123 -19.016 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 16.505 -0.106 1.955 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 0.345 1.736 -7.021 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 0.015 -4.917 7.096 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 -14.053 21.278 10.779 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 -3.332 -3.243 -2.221 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 -4.454 8.427 -14.642 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 -4.256 -7.875 -14.159 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 -3.200 0.641 -0.856 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 -4.586 14.305 2.845 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 -10.361 16.640 -1.354 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 -6.574 -2.367 5.610 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 5.983 8.619 4.884 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 -4.262 0.857 8.697 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 1.303 -7.261 1.980 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 -6.976 -7.093 6.423 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 6.539 1.335 3.741 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 3.267 4.889 -2.912 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 3.652 -1.297 13.762 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 -6.863 -2.399 5.110 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 4.859 -8.200 2.882 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 10.884 -16.336 -3.763 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 5.182 -3.476 9.338 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 -7.344 5.527 -3.992 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 -1.057 -4.472 3.427 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 -4.617 4.621 -7.772 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 -1.768 -6.153 -0.030 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 -1.896 -3.298 -1.787 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 -1.977 -12.629 4.382 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 -1.976 -1.289 7.243 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 3.456 6.875 16.327 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 -1.435 12.827 -13.566 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 1.341 3.384 -0.191 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 -8.913 0.667 14.938 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 6.162 3.496 -4.952 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 -1.595 3.299 0.788 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 -2.162 3.443 1.220 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 -11.328 2.909 8.102 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 -2.905 -6.653 -3.830 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 -5.219 -3.146 -6.399 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 4.236 -13.463 4.797 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 0.276 0.776 -4.415 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 -0.087 3.383 -4.651 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 2.362 -1.139 -7.158 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 0.753 0.931 4.434 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 -9.303 -29.314 1.580 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 3.837 -27.257 -6.008 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 4.174 -3.636 -3.312 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 6.383 -12.287 -5.255 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 -1.292 -8.511 6.491 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 4.923 1.012 2.052 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 14.758 17.132 -7.506 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 -16.664 7.163 6.238 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 3.324 -0.510 -5.264 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 -2.286 -9.205 1.898 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 -5.776 8.335 0.571 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 -5.367 -5.443 -6.878 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 7.850 -25.237 6.926 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 9.596 -5.274 -10.979 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 -4.755 1.069 1.131 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 -26.659 -4.075 -23.249 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 -4.818 -2.123 2.501 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 -6.223 -3.117 -5.069 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 0.424 -1.459 -7.954 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 12.471 1.891 0.980 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 1.949 -0.946 3.862 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 2.476 -2.156 6.241 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 -0.864 -10.936 -14.310 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 0.037 1.359 1.525 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 -15.648 -0.235 20.014 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 6.780 -18.491 -7.542 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 -1.170 2.104 9.460 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 26.526 26.800 -24.127 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 22.754 7.744 -14.023 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 0.241 -0.032 0.493 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 12.272 -17.469 3.501 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 -20.066 -20.910 9.811 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 -0.739 2.958 -6.250 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 5.677 2.662 -7.285 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 -3.869 6.458 -10.884 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 -2.676 -6.466 13.125 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 -2.350 3.657 10.203 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 0.012 -15.352 11.637 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 2.328 -5.382 0.993 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 8.656 -7.524 -3.690 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 0.643 -2.734 14.288 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 -1.690 -4.723 -0.195 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 -17.417 7.034 -17.903 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 -17.807 -13.155 10.654 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 -4.936 4.367 0.110 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 -15.217 7.687 6.996 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 22.469 -25.180 3.225 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 -4.500 -0.161 -5.154 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 1.175 1.973 -8.264 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 -1.490 -3.041 0.631 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 0.797 5.127 -1.359 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 4.538 -16.558 -16.169 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 -2.126 -4.104 21.056 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 -0.081 -2.523 -7.344 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 1.164 4.374 -1.539 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 6.706 7.660 -7.156 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 0.309 5.660 -5.590 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 7.347 5.164 -15.755 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 3.447 8.101 2.033 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 2.800 0.386 1.715 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 -8.220 -14.781 16.588 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 -8.036 -2.330 -18.959 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 -6.542 0.627 4.507 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 -2.905 6.911 -4.444 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 -0.511 -2.158 21.576 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 0.446 -8.066 -0.616 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 1.472 5.421 -21.837 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 -15.188 17.838 5.989 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 0.638 3.529 0.423 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 12.711 -3.799 4.846 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 -6.447 -5.823 -1.250 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 2.491 0.717 0.469 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 0.577 3.179 -7.504 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 -22.890 12.058 -24.969 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 -1.125 5.813 -1.807 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 5.125 -6.949 -0.140 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 -10.088 -5.640 -14.866 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 -6.067 -5.481 2.506 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 -37.689 -19.722 17.651 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 10.709 10.363 21.855 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 -2.184 -0.159 0.488 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 -12.650 3.788 11.963 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 -9.453 15.679 15.325 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 -5.011 2.616 1.234 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 -32.597 -8.771 -21.596 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 1.852 7.292 11.318 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 4.758 6.595 -4.841 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 -9.492 -0.232 -12.160 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 11.690 -0.593 5.563 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 -1.867 -1.807 -1.479 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 9.427 0.996 6.933 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 3.225 -3.241 -13.480 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 0.629 -5.924 -5.592 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 28.765 -1.942 9.876 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 32.810 -5.410 0.869 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 -2.333 -1.579 3.272 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 20.664 -6.717 10.308 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 -20.183 -9.275 32.976 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 4.757 1.088 0.795 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 -1.402 13.988 -11.682 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 1.148 6.650 -2.599 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 -2.936 6.667 -0.186 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 11.779 -4.532 0.162 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 1.963 4.233 -14.260 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 0.172 6.769 0.257 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 12.978 22.286 1.713 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 20.949 -19.098 4.230 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 1.795 3.084 -4.388 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 -24.535 4.583 -3.511 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 -12.130 -4.949 -9.572 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 -2.351 7.090 -2.352 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 -2.081 12.872 17.890 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 -2.466 9.957 8.234 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 -2.485 1.859 -1.551 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 15.069 -2.544 -11.801 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 -14.530 23.592 -7.757 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 0.888 -6.435 3.460 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 11.037 -1.221 23.390 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 -9.910 -14.741 4.386 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 -3.942 1.182 2.899 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 -9.289 9.228 -13.117 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 15.998 17.218 8.234 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 -4.398 0.252 -2.597 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 0.089 -18.485 9.233 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 -1.537 -12.338 8.597 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 5.674 7.232 -2.002 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 31.687 11.558 32.324 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 3.415 -5.865 -3.545 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 -5.004 -1.482 -3.039 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 -8.804 10.274 -9.561 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 7.891 -25.024 14.533 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 -1.541 -1.039 2.951 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 -3.096 -2.244 6.058 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 0.079 -2.532 -1.651 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 0.772 -3.247 -4.812 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 12.300 -1.276 -6.297 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 5.735 -4.200 1.281 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 -2.378 3.393 -1.491 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 -10.707 23.393 -0.055 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 -3.686 -16.457 5.369 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 -3.818 5.800 -1.853 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 6.807 9.369 7.049 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 -2.631 3.531 8.036 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 -6.743 2.312 3.505 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 -11.182 -11.665 -8.763 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 -15.980 29.074 -8.964 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 -5.223 -3.775 4.770 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 8.649 -4.774 32.798 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 -0.229 -3.770 11.994 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 -6.861 6.031 0.057 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 -8.442 21.286 28.670 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 -1.222 11.053 1.160 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 2.748 -2.433 2.285 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 4.601 -3.390 0.665 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 6.551 -3.332 1.701 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 5.303 0.514 1.293 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 -16.779 18.053 20.030 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 -5.114 4.458 -29.286 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 8.809 2.094 9.740 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 9.052 -0.857 7.538 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 6.034 0.852 15.486 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 1.554 0.478 -1.210 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 7.842 -5.421 -9.897 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 3.608 18.302 2.150 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 0.221 1.468 -0.250 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 4.289 14.855 5.321 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 -5.839 -5.873 11.685 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 1.781 1.045 1.474 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 11.043 5.979 -0.159 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 -2.503 8.454 4.174 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 -5.601 1.732 0.248 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 -9.767 6.443 -4.001 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 11.785 8.134 8.631 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 5.212 -2.759 12.831 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 6.498 -17.676 14.639 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 10.940 -6.536 -5.374 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 1.960 2.023 1.858 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 14.535 -8.914 7.813 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 -13.159 18.306 -7.653 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 -3.856 3.597 -1.563 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 -15.008 11.104 -6.731 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 31.055 -28.459 14.820 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 0.695 0.016 -4.086 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 -15.722 -0.374 -7.904 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 9.804 13.937 8.963 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 -7.447 -5.407 0.237 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 -1.637 29.007 5.624 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 -1.919 9.156 1.244 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 -0.661 1.927 -4.136 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 -5.313 27.709 -16.580 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 -10.797 26.582 -17.247 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 2.067 2.641 -0.519 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 -14.325 5.234 -15.720 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 12.329 -0.243 25.255 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 -4.307 -4.461 9.009 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 4.455 7.235 -6.511 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 -3.775 -6.239 8.606 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 -3.437 -0.168 1.453 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 11.942 -12.050 29.241 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 11.554 -12.054 6.805 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 1.791 -4.189 2.885 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 1.352 13.614 1.932 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 4.988 3.215 -22.151 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 -2.346 2.384 -6.265 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 -4.060 4.334 -8.862 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 4.990 -10.536 5.167 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 5.591 1.150 6.822 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 1.163 -8.741 55.398 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 -2.099 8.382 10.794 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 -1.623 -3.748 0.992 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 -3.165 -2.529 2.560 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 12.817 -10.252 10.202 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 -0.275 -5.338 0.474 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 4.004 -0.121 20.770 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 -20.792 3.091 -32.958 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 -0.063 -3.615 9.033 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 -21.128 -18.738 -16.948 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 -12.914 -17.726 13.293 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 0.288 -7.006 -2.275 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 -2.325 1.001 -2.716 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 -3.927 -5.097 -5.778 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 -1.076 -6.110 -7.974 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 12.020 15.855 4.049 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 -23.518 -5.513 0.824 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 5.800 -0.192 3.426 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 7.417 2.538 -0.236 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 -4.018 -13.564 -21.986 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 0.523 -6.816 -2.147 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 -0.629 -1.662 -7.474 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 -1.221 -9.333 -0.080 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 -6.265 -1.022 -2.503 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 -5.525 5.104 2.461 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 -3.594 -2.318 -7.139 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 4.060 -5.317 -3.347 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 -6.726 4.850 -3.808 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 17.536 -3.017 -7.075 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 -1.325 3.962 4.309 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 7.509 -3.353 8.303 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 -7.333 8.722 -1.089 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 -0.596 -5.536 -1.613 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 -3.609 7.216 -4.265 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 -6.907 -2.328 -14.021 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 -1.019 2.531 -1.851 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 2.422 -33.917 2.215 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 -13.562 5.293 19.382 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 7.012 -2.105 -4.168 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 -0.730 11.984 1.590 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 3.126 -6.692 -2.677 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 3.970 6.418 5.772 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 -8.095 1.142 12.999 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 -1.205 14.342 13.223 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 -2.719 3.307 -4.990 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 -10.478 0.762 -12.370 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 3.989 -5.821 -4.810 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 -8.587 3.046 2.012 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 0.924 0.319 7.270 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 -8.957 2.063 5.391 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 -0.154 -1.019 -11.314 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 12.068 -2.427 17.497 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 5.489 -1.729 4.493 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 3.328 -0.286 -3.904 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 1.228 -8.883 -19.049 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 0.732 5.274 -14.437 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 3.164 -1.935 1.941 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 -8.677 -13.298 0.070 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 -4.866 -2.245 11.500 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 2.508 -1.395 0.315 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 9.434 -11.022 29.886 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 -3.548 13.430 -18.081 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 -6.547 -6.650 -1.167 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 -20.077 -1.246 9.779 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 -13.102 0.569 -1.407 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 0.028 -1.597 5.546 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 13.207 11.346 26.610 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 -12.043 -10.705 3.380 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 4.202 -9.508 0.425 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 29.595 -8.587 3.126 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 1.116 -9.440 -24.831 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 -0.275 7.737 -3.042 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 1.785 -5.914 -15.016 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 2.366 -22.064 -31.867 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 0.380 1.125 -6.207 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 -4.469 -15.269 -28.976 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 33.269 -4.626 -8.613 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 -1.379 -5.262 5.071 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 0.432 -14.634 0.761 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 -5.364 -6.409 -5.383 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 -6.408 -6.189 -0.685 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 -15.668 -0.060 9.940 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 -13.341 -16.162 -10.032 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 -3.331 0.735 3.609 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 -2.069 -0.651 1.798 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 -6.633 1.254 3.352 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 5.732 -5.458 -7.480 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 21.134 -6.815 41.760 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 -6.970 11.073 -12.425 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 -1.854 1.271 1.300 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 4.181 15.226 -10.068 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 -2.082 -13.678 2.908 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 0.803 3.414 -2.589 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 3.643 5.591 -11.422 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 -7.211 19.917 -2.956 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 0.506 8.296 2.622 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 4.981 -1.210 8.976 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 1.134 9.599 -8.480 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 7.911 -1.261 -1.150 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 22.649 -7.981 7.972 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 15.588 -5.497 4.303 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 4.702 9.145 -5.008 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 1.831 -11.720 20.948 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 2.313 -6.268 -3.283 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 -3.645 0.577 -7.793 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 -6.203 5.073 -8.922 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 -8.358 0.346 -12.438 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 3.670 -0.255 6.857 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 14.019 8.921 9.309 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 4.363 -12.085 0.835 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 5.007 5.983 -2.620 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 3.437 14.767 -3.631 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 2.418 13.542 10.215 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 4.569 13.839 -1.824 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 13.779 4.459 -18.592 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 -3.845 18.076 -1.735 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 -0.848 1.668 0.165 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 6.536 19.780 -17.887 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 -12.487 -9.203 10.794 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 -3.434 3.058 1.670 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 -6.292 -12.240 2.263 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 -21.389 5.904 5.732 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 -4.748 1.091 -2.523 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 -10.885 23.566 -9.179 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 -2.447 -6.128 -21.962 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 0.796 -6.215 -1.541 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 1.604 -10.822 12.183 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 -0.234 0.799 31.261 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 -0.225 1.248 -1.438 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 -3.246 5.856 6.862 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 -1.562 -0.835 -0.990 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 -3.711 -0.226 -4.290 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 23.861 -7.621 -4.394 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 28.353 -1.011 -7.932 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 -5.603 -2.165 4.032 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 -20.077 -11.950 -10.082 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 11.723 -9.427 -11.596 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 6.860 -6.422 1.405 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 21.959 0.967 0.297 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 12.814 -3.040 -1.699 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 5.043 -2.023 5.690 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 4.437 -3.134 12.890 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 7.790 1.853 -12.373 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 0.990 7.022 4.527 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 -6.747 20.970 -15.940 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 -9.270 -12.372 26.416 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 4.567 5.489 0.580 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 -8.494 17.508 8.536 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 17.485 25.937 1.048 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 1.078 3.079 10.461 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 1.331 8.215 14.845 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 4.369 -3.580 2.091 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 4.406 0.963 8.796 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 -1.928 8.783 15.793 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 -11.394 7.808 -9.807 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 -2.343 -4.051 -4.234 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 -3.383 9.164 16.273 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 -10.509 3.209 -13.012 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 1.081 0.427 -2.916 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 9.440 -9.366 0.421 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 -13.374 22.063 -11.212 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 -1.234 3.394 3.805 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 -10.074 -4.100 5.797 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 -4.654 9.165 16.056 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 0.055 1.031 -2.874 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 1.734 -4.341 -9.358 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 -12.709 19.151 -2.767 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 -7.141 4.590 -3.234 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 1.120 8.905 15.038 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 3.320 -7.660 -7.062 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 -4.977 -2.840 2.729 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 -6.484 -10.000 -8.228 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 -12.431 2.819 20.047 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 -6.091 2.646 1.770 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 -6.002 -5.481 -12.327 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 -12.073 4.931 9.429 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 3.126 6.594 -4.655 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 -18.652 4.745 1.353 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 25.840 -11.748 3.581 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 -4.656 1.403 2.827 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 -21.518 -0.454 25.136 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 4.813 1.505 -10.181 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 2.428 1.011 -6.787 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 1.363 8.037 -12.914 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 -6.740 3.687 -5.258 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 5.335 6.891 -1.185 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 -8.622 4.316 -13.428 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 1.803 5.872 -11.062 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 -8.121 -0.470 1.212 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 28.391 -13.436 -32.716 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 4.671 44.221 32.560 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 5.794 6.633 1.551 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 13.344 7.244 19.336 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 18.985 14.026 -6.571 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 7.725 -2.449 -2.903 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 13.675 -8.710 4.353 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 13.647 12.638 -0.140 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 -3.296 4.843 7.863 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 9.891 10.532 7.725 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 13.541 19.078 8.333 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 8.620 4.983 11.347 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 6.329 -7.354 0.449 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 4.717 17.959 -0.910 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 15.398 5.056 5.581 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 12.812 2.927 3.465 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 17.974 -0.552 5.811 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 -1.514 -7.814 -3.047 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 -7.510 -9.550 2.470 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 10.502 -8.599 -0.836 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 3.433 0.787 5.981 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 8.877 -1.492 -2.933 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 -2.615 7.361 -2.478 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 -0.122 2.535 2.504 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 -14.669 3.137 10.337 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 9.493 -6.495 12.748 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 1.522 4.719 -5.145 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 -3.081 13.045 15.667 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 -22.836 -4.952 -16.401 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 4.707 -0.026 8.539 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 -7.582 11.215 19.468 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 -1.402 18.624 -2.843 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 -5.495 -4.816 0.806 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 -31.587 -5.217 1.841 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 0.316 0.735 -18.318 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 -3.329 -4.236 4.319 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 3.881 1.172 0.526 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 -11.988 -5.815 -3.364 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 1.093 -3.776 -6.596 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 3.308 23.148 0.087 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 3.175 16.430 -23.693 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 1.429 -1.685 2.517 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 -11.071 -0.634 11.900 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 11.177 -6.144 8.646 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 8.537 4.411 1.022 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 14.852 10.518 0.224 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 4.375 3.331 -6.901 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 4.012 -0.060 9.898 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 -3.649 2.823 4.204 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 8.670 -6.673 -16.101 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 -2.237 2.073 -2.256 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 -6.487 -5.202 9.033 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 -10.127 13.833 2.165 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 1.892 0.313 7.151 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 -29.645 3.992 5.003 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 -4.629 45.109 -3.304 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 -8.140 0.946 8.620 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 6.341 9.687 -2.861 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 0.129 16.648 21.727 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 0.759 5.356 2.078 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 -3.266 16.649 8.958 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 6.351 -2.629 11.067 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 3.106 -4.812 4.875 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 9.068 3.126 6.017 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 -0.648 8.290 -18.907 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 4.788 0.522 -0.992 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 -1.795 4.774 9.581 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 15.381 -1.914 26.720 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 -2.035 1.719 4.289 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 -17.454 7.078 8.075 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 7.403 -11.881 1.948 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 3.550 -2.490 3.008 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 2.419 -2.890 1.437 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 3.306 -15.964 -12.915 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 -1.058 -3.676 -5.325 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 8.836 -4.360 -14.886 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 3.728 4.725 2.789 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 0.466 -3.594 -2.012 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 0.331 -3.494 -3.091 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 2.514 4.738 3.302 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 3.068 -3.348 4.089 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 -11.409 -9.727 -14.203 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 0.726 -3.957 -3.907 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 -2.277 4.071 0.344 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 4.677 -13.224 10.724 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 -6.361 8.692 -11.391 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 -1.176 -0.386 -3.160 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 24.645 5.461 -14.769 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 0.318 8.128 17.820 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 5.914 5.814 3.703 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 15.144 7.658 12.498 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 -2.881 -10.279 11.554 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 2.321 2.184 2.008 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 3.630 -14.459 7.803 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 10.840 8.089 0.124 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 0.624 2.443 -1.037 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 0.598 22.555 0.733 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 -14.583 8.082 9.516 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 3.635 9.396 7.740 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 27.157 -15.110 12.643 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 -3.424 10.658 8.192 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 -2.712 -5.875 1.862 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 6.233 -4.316 -27.171 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 0.453 -5.556 -1.280 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 -1.608 -6.965 7.455 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 -0.740 3.327 12.681 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 -2.266 -4.012 -1.039 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 0.101 0.484 -1.578 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 -1.387 -7.845 -20.894 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 -1.676 -2.598 5.538 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 0.272 2.758 2.850 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 -13.180 2.627 -7.158 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 5.515 9.034 -4.043 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 5.413 -5.943 -1.563 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 6.315 -6.024 -2.815 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 0.643 -3.055 12.694 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 2.471 4.548 -0.567 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 -9.815 -6.803 1.317 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 2.774 13.748 -1.068 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 -1.396 -1.642 -4.620 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 -12.974 -10.638 -24.698 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 13.679 -27.835 -18.624 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 2.026 -1.170 -4.396 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 -9.674 -11.424 3.797 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 7.502 -3.186 7.336 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 -3.551 -0.642 2.083 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 25.451 -1.884 18.503 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 -41.928 -2.961 -20.366 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 -4.052 -7.424 -0.336 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 -18.682 -4.476 0.416 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 -4.027 -0.949 -11.063 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 0.117 -0.930 3.018 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 14.460 21.652 17.157 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 0.258 -0.942 2.796 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 -8.937 0.906 1.328 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 -21.673 -3.820 16.951 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 -13.736 -25.185 4.325 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 7.276 1.433 -3.900 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 3.871 -1.690 -1.031 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 -8.366 -8.171 1.728 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 4.721 3.832 3.681 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 -7.242 8.562 5.357 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 32.572 3.393 2.406 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 -1.968 2.072 -2.270 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 -12.978 -9.507 -8.682 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 0.561 4.718 1.743 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 4.729 -4.611 -0.591 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 7.587 -11.304 0.556 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 -1.021 -18.183 9.385 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 5.846 2.038 1.242 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 -27.245 33.368 16.425 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 30.065 32.227 -9.300 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 2.909 -4.730 5.657 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 15.944 -6.899 -3.738 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 26.569 -10.022 -9.884 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 -2.883 5.151 4.530 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 9.479 4.477 -1.147 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 -11.020 -0.433 17.574 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 -1.480 3.606 5.424 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 15.259 4.119 4.399 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 -1.759 -9.623 12.109 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 -7.870 0.808 -6.513 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 -19.039 -4.195 -29.064 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 -25.663 16.107 -21.226 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 -3.730 6.401 5.305 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 -7.029 -4.088 -1.674 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 -0.941 5.319 5.388 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 -8.104 4.524 7.078 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 -6.065 14.696 18.302 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 4.299 -6.782 13.232 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 2.322 -0.541 -3.052 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 4.855 -2.815 -2.740 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 2.956 4.324 0.631 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 4.761 0.873 2.237 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 9.033 -10.614 -5.193 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 -10.353 -12.385 -2.409 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 6.028 -4.844 6.712 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 3.462 6.074 -14.200 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 -1.414 6.110 5.753 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 -2.024 -2.215 -1.649 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 4.137 -8.272 -9.074 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 -0.355 1.505 10.752 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 2.423 0.016 -1.760 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 -5.501 -26.823 -0.704 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 1.233 22.287 -7.021 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 6.394 -0.650 1.633 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 5.585 -11.359 3.157 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 6.738 6.689 2.151 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 -3.146 5.305 9.235 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 3.117 16.627 40.648 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 -3.140 5.716 6.839 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 -0.114 1.804 -4.651 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 -3.785 6.586 0.360 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 -5.140 13.497 2.597 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 1.603 -3.407 -0.841 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 3.837 34.707 -13.999 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 -35.096 -17.968 -7.150 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 -0.709 4.760 -0.578 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 1.653 23.460 7.730 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 -0.942 10.210 -2.477 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 -0.134 -2.600 -3.060 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 17.540 10.216 2.012 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 3.881 -6.793 -4.592 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 4.826 -0.993 -1.337 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 20.916 -1.162 13.741 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 21.877 3.469 11.135 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 -2.002 5.185 -0.260 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 0.901 2.911 -0.707 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 13.168 4.701 -32.820 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 -6.603 3.493 -7.367 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 -3.835 11.242 0.625 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 -3.348 7.446 -15.755 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 1.785 1.887 -4.567 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 16.681 -2.392 -3.937 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 -8.765 6.339 -9.685 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 -1.448 -4.215 -7.647 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 -0.715 -20.137 -17.836 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 -24.334 -8.164 -10.346 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 -8.111 3.803 2.719 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 -11.252 8.491 -27.340 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 -10.315 -7.773 -12.531 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 -3.042 8.409 0.047 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 -3.159 7.548 2.579 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 -11.100 16.470 -12.489 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 -3.785 -2.804 4.191 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 8.848 -10.463 6.999 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 -1.110 -14.337 -12.777 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 0.493 -1.000 2.187 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 4.678 0.729 17.713 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 -7.869 3.378 -28.326 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 -3.337 0.924 -3.752 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 18.383 32.977 -7.001 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 4.121 8.665 -13.575 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 -0.305 4.547 -2.513 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 7.218 7.899 -3.658 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 -9.739 1.812 9.037 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 -3.155 8.533 -9.123 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 17.617 12.442 -11.807 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 -9.439 -4.074 -6.029 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 -0.884 -3.305 4.303 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 1.015 7.225 4.062 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 4.973 -14.346 1.804 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 1.867 -6.116 6.253 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 4.215 -5.837 4.827 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 -1.383 -7.829 12.581 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 2.159 -3.988 -3.870 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 2.633 -11.045 -6.364 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 -7.278 -4.594 -2.060 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 -3.886 0.951 1.298 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 -3.309 2.631 3.919 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 7.516 -15.738 2.168 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 -0.053 -0.617 -2.650 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 -1.024 6.117 -9.257 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 1.311 -0.228 -3.645 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 2.739 -2.799 -4.083 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 25.864 -13.590 -16.246 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 23.050 -13.151 -17.301 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 -1.773 5.386 -6.130 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 -4.724 5.557 -6.146 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 -7.797 5.491 -3.126 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 0.870 -0.305 4.216 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 -8.725 -12.454 -3.886 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 -25.417 -19.732 7.705 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 2.081 -2.308 5.908 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 -0.316 5.322 -12.320 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 1.010 -10.067 -8.268 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 -2.260 -7.618 -3.780 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 -25.286 -6.091 -6.949 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 -16.119 -7.106 -3.540 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 3.230 -0.314 -2.673 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 -2.768 -9.975 27.234 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 8.448 8.387 -26.690 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 -1.106 5.974 -3.647 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 -2.607 12.346 -13.445 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 3.481 -18.920 3.483 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 4.364 -1.970 -8.393 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 18.061 1.043 1.661 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 -5.051 -20.556 -30.865 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 6.060 -2.704 6.314 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 14.982 -18.419 25.254 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 -9.810 -13.707 -0.827 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 6.249 -2.254 4.132 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 0.396 2.693 -0.914 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 2.930 2.788 11.268 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 -0.500 -1.354 5.524 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 -3.319 -0.557 13.350 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 -8.057 -0.601 20.771 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 -2.787 4.438 0.463 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 4.356 11.765 -3.853 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 2.987 -10.598 18.788 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 -2.579 -5.894 2.681 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 -1.345 5.648 1.651 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 7.624 -12.075 2.100 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 2.333 -5.991 -0.195 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 -7.902 -14.814 7.617 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 22.052 10.858 0.285 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 8.377 2.893 3.631 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 -25.912 -13.509 18.825 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 20.487 9.733 -0.176 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 9.446 -2.261 -0.358 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 3.904 5.104 3.356 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 -5.466 11.755 -17.117 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 2.754 -0.809 -4.034 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 7.708 -15.524 2.110 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 -12.393 2.290 5.236 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 3.364 -2.633 6.935 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 9.132 31.022 8.540 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 -9.502 -7.989 -0.625 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 -1.730 -1.486 2.700 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 0.156 2.323 -2.693 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 -1.240 -6.775 -1.108 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 -4.446 -5.441 3.132 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 -10.195 4.761 2.040 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 12.355 -6.657 6.319 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 3.434 7.559 -0.802 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 2.987 22.218 0.555 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 -1.772 0.608 -13.852 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 7.201 -5.732 2.569 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 -0.922 3.569 0.054 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 9.780 -10.014 2.218 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 1.124 -4.177 -3.506 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 8.918 -13.800 -5.454 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 -6.532 6.439 -1.793 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 3.812 -6.037 -1.166 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 -3.439 -10.649 6.796 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 -3.432 -14.202 -5.551 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 -3.947 -0.119 2.939 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 -2.885 -5.922 5.376 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 -19.430 -6.334 16.308 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 -7.723 -0.618 -1.939 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 12.433 30.056 -0.613 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 -8.836 -1.116 0.594 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 5.652 2.229 -5.718 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 7.503 10.578 6.516 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 4.034 0.688 -8.661 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 1.153 3.047 -1.797 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 8.321 -25.428 -2.272 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 -0.038 -16.487 -7.552 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 -6.288 5.841 -0.671 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 2.567 -0.635 19.945 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 3.075 -24.179 15.171 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 5.118 1.941 -0.651 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 7.575 14.660 -15.850 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 7.207 -20.352 0.948 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 -8.621 -1.593 -0.131 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 -6.154 7.120 -7.662 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 -22.791 6.958 0.774 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 11.297 1.203 1.732 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 13.832 -3.431 -1.321 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 5.831 5.976 5.341 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 -0.852 -2.033 5.260 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 1.526 -1.572 6.456 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 -13.562 -5.715 -0.860 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 3.308 1.614 -2.279 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 12.230 -5.832 2.589 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 6.853 -1.298 2.709 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 -1.743 -3.711 -2.980 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 -3.608 0.417 1.512 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 -0.704 -6.501 -6.462 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 0.460 2.975 -2.664 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 2.244 4.616 6.404 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 -7.666 9.382 -6.856 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 3.482 0.116 -0.398 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 7.274 14.189 13.925 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 -30.478 -21.485 -26.710 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 -6.464 0.957 5.121 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 -6.590 6.433 20.308 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 4.447 -19.286 -16.908 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 -7.192 -0.658 8.175 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 -18.781 -14.244 -5.037 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 -4.497 2.933 11.653 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 -2.393 -3.388 -4.648 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 2.449 -4.059 -13.341 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 6.410 -1.460 -4.141 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 5.501 1.393 3.457 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 7.801 1.710 18.860 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 -0.275 -1.884 33.693 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 -4.302 -3.010 1.989 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 -8.803 9.530 -6.950 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 -0.559 -8.315 -5.483 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 -8.612 4.717 3.291 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 -2.859 4.080 6.496 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 -2.975 9.590 9.072 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 -2.721 -3.247 0.966 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 -0.640 9.050 -2.049 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 -4.987 -22.984 10.262 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 -3.295 0.949 3.558 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 -2.233 -5.658 -4.828 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 13.998 0.243 18.128 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 0.685 5.007 -0.743 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 -18.557 -2.411 10.184 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 4.510 7.328 -0.069 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 -2.829 3.397 2.469 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 13.619 -4.869 -6.941 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 0.129 15.539 18.637 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 3.517 1.019 -2.636 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 5.475 7.257 4.184 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 22.739 -7.429 0.714 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 -7.632 -0.864 0.261 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 -3.147 -18.508 -7.119 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 19.992 -30.261 14.632 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 -3.045 0.347 4.052 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 2.999 -6.250 -0.316 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 -5.908 3.768 6.386 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 2.183 1.555 -2.550 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 2.970 4.570 -19.541 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 4.223 2.710 3.995 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 7.200 -4.856 -0.578 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 -30.364 -30.243 6.687 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 30.282 -11.368 28.448 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 -0.658 -0.562 -5.148 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 3.338 12.558 -9.513 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 0.008 -2.132 -6.054 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 1.458 -5.504 0.278 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 0.652 -6.415 30.740 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 8.746 -10.201 -1.779 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 -1.402 -1.596 -12.695 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 -0.700 5.666 -4.201 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 15.446 -11.937 -12.397 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 2.240 5.944 -1.510 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 8.889 5.147 6.540 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 -2.647 11.121 -4.237 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 -0.306 2.720 0.674 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 -2.302 1.513 -5.686 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 7.122 9.607 0.168 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 -0.689 -0.394 -0.216 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 -7.504 17.815 9.135 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 -5.218 10.159 6.342 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 -5.735 -9.155 -4.361 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 13.994 -8.597 2.536 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 21.215 -9.285 5.068 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 -3.931 -2.437 -7.196 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 3.343 -13.085 14.856 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 -5.220 19.462 -0.040 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 -4.426 4.085 -4.467 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 10.184 9.891 -12.466 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 10.099 -3.332 0.015 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 2.053 2.457 1.336 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 14.311 10.974 27.201 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 24.365 6.435 -17.353 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 -1.553 2.088 7.113 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 4.630 9.898 5.175 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 4.141 9.610 13.773 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 -3.169 3.963 0.892 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 -38.186 5.748 -18.236 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 -35.885 12.366 4.160 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 4.034 4.566 -6.558 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 -1.215 -0.347 1.418 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 4.794 9.403 -20.447 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 4.045 2.465 -3.565 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 12.569 -3.547 -9.366 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 -2.394 27.258 -15.567 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 7.793 4.132 -1.989 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 0.813 11.328 1.705 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 3.046 -3.223 7.406 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 3.163 1.893 0.262 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 4.318 15.515 13.959 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 -5.676 -4.698 14.115 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 -0.627 -2.696 -3.333 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 12.844 25.513 -9.363 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 0.878 -9.068 12.891 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 -0.005 0.601 3.129 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 -0.560 -2.050 1.643 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 -9.903 -5.423 -6.097 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 -7.558 2.832 -2.977 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 -11.197 4.637 -16.944 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 -2.103 -4.087 3.926 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 -6.027 5.016 -0.371 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 -21.801 31.797 25.021 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 17.645 -4.425 15.047 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 -0.169 -1.676 7.717 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 0.500 -21.551 2.506 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 6.075 6.620 36.629 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 8.526 -1.112 0.679 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 17.072 -2.506 10.994 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 7.964 -11.830 2.300 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 1.119 -2.136 -8.021 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 11.491 -6.987 -7.382 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 8.678 6.875 -25.342 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 -0.377 2.441 2.722 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 10.868 -6.671 23.342 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 -4.235 -18.128 -12.063 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 -11.142 -2.192 4.261 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 -20.516 -0.663 -2.892 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 -24.955 14.518 1.140 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 0.835 1.805 0.679 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 6.913 12.128 -4.709 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 9.762 -12.835 10.947 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 -1.859 3.804 -1.015 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 8.908 -9.087 -3.432 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 -11.492 12.960 26.681 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 -2.947 -0.679 3.215 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 -4.172 0.340 11.367 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 1.692 -12.150 -3.902 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 -2.439 4.981 -2.515 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 -23.742 31.225 -3.462 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 11.575 -11.109 -1.695 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 -4.855 2.939 2.075 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 8.177 -3.208 5.202 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 -15.383 5.389 -4.104 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 1.845 -3.528 -2.216 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 11.068 12.558 -2.435 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 1.438 -7.618 14.769 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 1.806 -8.678 -0.751 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 1.043 -11.308 -1.394 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 2.618 -4.154 3.044 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 -5.600 3.076 -1.847 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 -6.421 3.268 3.548 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 -9.793 1.130 -11.793 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 -1.950 -2.546 6.268 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 11.024 0.984 44.041 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 6.364 -27.978 39.023 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 -0.030 1.491 1.584 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 0.296 -6.122 -4.126 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 -0.288 7.453 7.028 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 1.453 0.756 0.641 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 9.142 18.371 17.961 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 19.576 13.201 10.574 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 3.737 2.349 3.971 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 11.462 -1.348 25.843 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 -10.807 1.703 -9.090 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 0.896 2.979 -4.416 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 8.668 -9.756 2.946 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 7.630 2.563 -7.109 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 -2.980 1.151 -1.359 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 -17.468 10.723 -20.824 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 20.739 24.203 8.894 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 1.778 -1.263 -9.746 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 0.585 -1.243 -7.631 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 -9.553 2.392 12.826 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 3.160 2.193 -1.621 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 -4.278 2.022 7.038 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 3.804 1.245 10.486 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 -0.624 0.759 3.139 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 -6.087 9.699 -19.223 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 -14.526 14.842 13.005 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 6.564 -3.877 -8.846 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 8.008 4.040 -6.595 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 1.283 9.136 -32.275 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 2.503 7.321 2.715 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 4.241 -11.375 5.984 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 19.906 14.347 5.655 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 2.497 -4.146 -0.952 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 -8.378 -32.919 6.127 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 8.531 12.675 -6.335 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 2.835 5.926 -1.346 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 -31.622 -0.476 9.584 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 2.841 7.370 -1.546 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 -1.730 -7.782 1.902 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 8.302 -6.833 -1.929 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 -15.109 -19.471 17.105 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 2.005 8.604 -5.637 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 9.213 7.817 -26.988 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 3.070 13.663 2.688 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 5.811 -1.080 3.635 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 5.495 4.874 6.242 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 38.973 -21.404 -24.965 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 -4.954 3.654 0.445 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 1.644 -10.129 -5.836 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 0.136 0.530 10.224 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 -1.217 1.481 1.933 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 2.434 2.845 -4.873 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 -14.126 4.237 7.926 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 5.889 -0.111 4.362 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 27.503 19.236 -2.867 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 28.520 30.397 4.773 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 0.467 2.943 -0.025 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 1.376 -12.399 -8.902 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 1.404 -18.909 -12.974 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 -3.326 -5.085 -1.336 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 -1.011 -13.419 -0.365 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 -4.844 -2.621 -3.948 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 3.424 -6.419 1.900 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 26.742 18.089 8.326 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 -24.646 3.174 16.477 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 0.130 1.789 7.118 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 5.820 -12.147 -5.530 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 8.340 20.796 -1.717 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 4.004 -0.675 -11.914 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 -7.544 10.693 5.388 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 -3.748 -1.645 -13.842 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 -1.413 -1.247 -5.696 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 -7.584 -14.357 13.355 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 8.059 -1.387 -23.021 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 1.822 -9.659 3.682 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 14.175 -13.629 -2.983 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 -16.886 -26.605 4.315 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 -0.544 2.846 5.290 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 -18.522 -3.061 24.191 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 4.007 3.615 1.433 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 0.473 -2.561 1.170 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 21.180 10.696 -4.727 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 -10.571 -20.413 -17.850 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 1.638 -0.899 5.792 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 11.554 4.071 3.572 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 4.918 -16.690 8.681 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 -3.363 -1.588 -2.465 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 -1.742 -3.466 -2.552 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 -4.081 -1.850 -1.961 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 -5.440 -9.669 4.439 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 2.203 -26.607 6.048 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 -4.131 11.812 15.559 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 8.208 0.881 -1.718 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 8.135 -30.453 -13.545 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 7.568 26.381 8.731 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 1.890 -2.083 -1.108 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 -3.629 -7.476 -14.270 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 7.788 8.021 13.809 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 5.139 -8.229 -4.753 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 -9.947 5.219 -12.950 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 10.758 -5.419 -9.512 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 -6.417 0.661 1.019 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 0.208 2.577 -6.903 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 -7.560 9.504 -7.805 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 2.254 -1.624 -2.082 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 -16.475 14.024 -9.849 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 -6.125 23.970 8.173 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 -4.422 4.958 -4.782 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 4.197 -24.413 -18.945 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 -29.690 8.276 -6.008 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 -3.982 1.505 -2.358 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 17.379 14.111 -0.254 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 -14.832 12.770 -9.646 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 10.842 -4.077 -2.534 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 -5.384 2.907 4.347 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 18.558 9.663 0.397 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 0.780 2.543 8.922 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 -29.851 -13.398 26.928 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 25.615 -1.401 -0.055 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 -0.905 8.642 -0.746 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 -9.629 2.428 -1.553 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 1.878 -11.771 -4.950 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 -0.718 3.216 -0.794 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 9.689 10.384 5.499 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 -3.993 35.763 21.533 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 5.469 4.406 -0.001 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 15.662 22.623 -7.299 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 4.964 3.524 0.972 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 -4.372 1.399 -1.014 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 -7.224 17.934 -10.784 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 -1.786 4.453 -7.234 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 -4.196 -5.907 -4.341 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 4.370 -4.825 -18.274 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 -5.926 3.824 5.156 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 -1.736 -0.460 -2.221 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 -18.081 -6.898 5.090 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 3.856 -0.909 11.469 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 2.157 -7.870 -0.203 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 -8.067 13.787 -6.337 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 11.277 -11.579 7.905 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 3.444 3.407 -2.820 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 2.329 -11.553 5.149 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 -12.827 1.272 5.543 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 2.928 -8.079 4.453 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 -10.248 -3.300 45.628 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 2.327 14.742 2.610 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 -0.441 0.250 6.429 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 5.558 6.168 -12.045 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 3.012 -0.118 9.696 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 3.718 2.992 -6.051 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 -25.976 0.219 13.168 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 -5.627 2.432 0.127 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 -0.525 -8.015 -3.570 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 -0.832 -12.966 0.634 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 -6.288 -17.588 -1.729 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 0.516 6.088 -0.187 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 57.216 1.654 7.802 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 38.325 0.446 -7.284 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 -2.023 -2.171 1.861 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 -30.797 -13.140 -9.935 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 -17.446 -22.936 -8.434 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 -2.615 0.697 -0.454 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 15.554 -12.010 -2.902 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 9.588 -9.782 -1.710 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 5.860 -6.095 -3.538 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 -10.071 -2.653 -12.416 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 1.800 -8.030 -13.759 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 -2.669 4.018 0.225 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 1.764 10.952 13.746 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 9.545 6.338 -9.459 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 2.197 6.472 -0.772 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 4.570 9.429 4.660 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 -3.084 -1.740 -26.931 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 1.766 -4.043 0.023 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 8.450 -0.269 -0.656 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 15.292 -20.153 20.829 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 0.637 2.731 6.498 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 -12.181 26.799 5.712 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 8.639 -2.811 8.666 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 -2.144 -7.131 -1.700 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 -21.242 -2.006 -15.472 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 0.210 -0.476 1.231 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 -2.642 4.720 0.460 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 -5.256 3.357 -1.062 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 0.621 5.331 -2.066 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 3.226 -2.135 2.263 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 3.494 -0.376 -0.198 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 10.630 4.708 29.342 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 -0.465 2.404 -1.452 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 13.421 30.073 34.144 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 -2.028 4.874 3.765 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 -2.556 -2.839 -2.063 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 20.676 8.975 3.400 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 -10.239 -14.398 -0.077 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 1.821 -0.123 0.805 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 -6.877 -3.016 17.096 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 -6.819 21.170 -16.613 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 -9.660 -2.793 1.689 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 -12.091 4.710 4.098 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 -6.792 -4.821 0.203 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 -2.958 -3.274 -5.796 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 0.272 -14.573 -3.880 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 -2.223 8.591 -7.356 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 -6.208 -1.264 -7.617 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 13.630 4.073 10.962 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 3.587 2.636 11.601 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 -1.023 0.368 -1.957 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 -10.325 4.547 3.987 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 3.793 11.795 -3.355 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 4.874 1.987 4.477 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 -21.560 6.979 -7.368 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 16.575 27.301 -2.306 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 1.504 -3.668 2.336 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 -6.469 9.035 -6.554 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 -13.827 -21.631 6.785 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 1.263 -12.093 -2.868 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 -5.615 -32.523 -6.043 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 -3.309 14.954 0.746 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 4.943 1.141 -0.808 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 17.366 -1.407 -3.072 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 5.817 4.229 7.692 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 1.210 -3.706 -2.281 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 9.465 0.774 -8.397 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 -8.548 -17.233 3.384 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 7.772 0.727 3.498 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 1.825 -5.278 23.401 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 2.301 -3.489 8.092 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 -1.607 -0.550 3.525 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 1.634 -10.941 5.747 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 -9.337 1.232 -5.738 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 -2.260 1.268 5.699 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 25.637 16.976 7.748 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 -15.848 -3.309 0.982 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 1.507 -0.632 0.985 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 10.070 -3.747 -6.886 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 1.885 -24.909 16.559 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 1.497 -2.165 -4.162 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 1.683 19.986 -14.458 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 4.973 10.054 17.918 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 -2.915 1.823 1.230 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 -5.360 -3.797 -4.679 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 3.962 12.473 24.901 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 -6.130 1.064 -3.886 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 12.279 -9.921 -2.345 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 -13.195 6.223 -4.049 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 -8.002 6.295 -3.975 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 -14.598 7.670 10.226 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 -7.955 -0.155 -11.971 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 0.560 -4.143 3.506 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 -10.331 4.251 -19.993 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 -9.133 -0.039 -8.902 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 1.725 5.665 5.064 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 6.949 14.405 -1.353 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 -1.581 3.311 7.106 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 0.170 -6.047 -2.134 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 -0.063 -20.924 12.084 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 -3.733 1.672 3.019 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 4.737 -3.271 2.343 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 3.387 26.678 -9.032 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 2.249 23.229 -4.401 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 2.033 6.092 7.401 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 -24.835 -26.049 13.172 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 18.023 17.161 -19.185 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 -1.471 -0.279 -2.139 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 -6.892 12.624 19.005 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 -0.796 3.711 3.818 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 -7.042 -1.257 3.515 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 -3.626 8.489 2.979 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 -9.069 -7.504 4.718 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 -0.232 -7.608 0.456 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 5.208 -11.068 -4.471 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 1.961 9.762 -8.275 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 5.227 0.459 -6.016 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 -2.121 -9.130 11.681 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 -3.595 24.134 10.553 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 -4.290 -0.341 5.104 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 -12.739 0.652 11.958 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 -11.625 2.341 8.474 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 2.104 2.241 -3.506 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 6.559 8.114 -4.707 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 -1.620 -4.334 -2.056 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 4.644 -0.554 -0.608 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 -9.847 -0.257 4.524 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 7.310 18.091 -14.660 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 0.392 1.829 -2.366 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 -15.259 4.566 -1.883 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 18.596 0.099 0.540 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 -0.466 -0.478 4.221 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 5.549 5.605 9.021 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 20.049 5.004 8.518 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 2.336 0.021 0.261 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 -0.157 15.675 4.984 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 -0.957 7.853 9.482 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 5.343 -7.253 4.848 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 -1.379 5.513 -6.972 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 22.560 -2.393 6.997 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 -1.862 -5.382 7.038 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 17.698 10.800 15.340 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 11.387 10.062 6.721 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 -0.608 -3.717 -1.915 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 -0.084 -3.095 -14.001 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 5.696 4.627 5.690 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 10.675 -1.209 -1.088 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 13.270 -0.061 -7.812 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 5.225 6.673 5.362 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 1.136 0.892 3.117 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 0.175 2.040 3.203 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 6.634 -13.022 2.052 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 -0.736 -3.946 -1.890 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 -5.852 19.468 -11.671 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 21.817 -12.452 -17.344 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 -1.774 -5.696 -3.731 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 -8.612 -0.989 -19.701 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 -1.947 -8.875 8.078 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 2.940 2.075 -4.197 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 21.543 -5.513 -18.617 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 -7.152 30.265 2.749 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 -4.267 3.404 0.384 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 -6.409 -0.195 2.863 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 -2.129 -3.053 -3.339 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 -1.755 4.030 -1.559 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 2.912 4.191 15.270 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 -3.632 -3.988 -9.051 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 -1.853 -3.076 -2.303 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 17.663 14.339 0.123 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 13.753 -32.974 10.516 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 1.432 -1.044 -1.070 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 0.826 -33.674 3.699 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 3.358 -15.499 2.755 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 -3.214 3.283 2.575 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 0.872 -6.644 -4.161 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 -11.597 13.427 -5.016 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 -4.765 3.881 -5.143 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 -5.357 -0.014 -4.186 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 -1.409 6.149 -5.904 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 -3.872 -4.169 2.694 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 2.528 14.429 -11.671 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 9.640 -4.690 26.812 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 2.709 -0.667 7.046 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 12.574 4.155 -3.103 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 28.608 15.013 -18.608 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 -1.234 3.947 2.163 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 -7.362 1.256 3.872 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 -0.408 7.136 0.787 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 -3.304 -2.385 -3.307 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 -8.976 -17.924 -19.590 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 11.674 18.316 -19.264 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 0.084 3.639 2.050 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 6.452 4.893 -5.705 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 -5.402 7.214 9.981 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 -4.290 -0.409 -0.495 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 11.268 2.843 17.451 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 -23.368 -5.839 6.564 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 -2.609 -2.875 6.670 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 -1.232 -0.631 0.619 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 -5.448 7.392 0.296 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 -4.961 -2.381 1.619 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 9.101 -2.159 -3.571 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 -5.001 6.422 -26.198 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 4.064 -2.346 -8.137 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 9.349 -5.355 -10.227 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 -33.984 12.755 5.594 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 7.224 -5.344 -7.097 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 27.052 -15.909 1.503 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 -31.122 0.032 -7.864 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 0.873 0.560 -2.762 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 12.620 6.851 -3.471 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 8.305 -10.751 -15.024 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 -2.163 4.329 -5.317 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 -5.110 -0.794 5.157 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 2.434 16.733 0.110 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 4.924 1.187 2.119 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 -16.511 3.692 -0.164 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 6.718 17.682 -7.454 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 6.254 -3.336 0.625 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 20.153 15.707 -5.605 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 -0.758 -21.541 4.450 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 -4.153 -1.098 -5.696 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 1.231 6.143 -16.856 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 0.605 5.773 -18.604 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 7.532 -6.297 5.075 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 15.485 -2.481 -6.317 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 7.136 28.515 -0.727 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 2.830 -1.582 -4.232 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 14.274 8.218 1.314 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 0.709 -2.746 -2.559 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 -6.194 -3.341 4.368 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 -3.983 4.974 3.209 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 -6.108 -1.369 4.430 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 -1.673 2.638 -4.838 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 9.618 6.560 -30.831 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 -6.883 -6.694 0.981 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 -3.181 4.179 7.409 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 13.694 3.379 29.845 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 6.305 5.701 16.665 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 -10.592 2.717 -1.411 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 0.327 26.182 7.844 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 0.790 -14.975 4.279 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 2.115 2.576 -4.178 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 -4.997 6.238 -27.980 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 12.947 9.370 -9.371 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 7.747 6.180 -3.783 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 -1.596 4.492 -0.336 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 17.285 -12.242 -8.138 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 -1.246 0.339 -0.160 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 -14.928 15.517 -10.607 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 -18.398 -37.507 -20.474 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 -5.024 2.747 2.660 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 -12.046 21.452 1.532 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 13.771 -9.763 -4.815 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 -4.149 -0.504 -3.035 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 3.377 -5.336 1.017 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 -14.105 -3.261 3.235 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 3.550 1.135 -4.557 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 21.544 -24.400 6.718 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 25.519 7.920 -32.548 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 3.247 3.898 -5.002 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 6.323 -5.983 0.446 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 12.542 -2.122 -22.282 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 -3.572 2.797 0.848 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 -8.566 10.597 -2.121 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 7.940 -5.914 10.332 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 -2.588 -2.261 0.921 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 25.434 -20.256 -3.277 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 -3.252 -11.398 2.422 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 3.109 -7.832 -4.370 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 2.054 -12.727 -2.761 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 6.310 -9.868 -3.614 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 6.805 3.263 -2.359 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 -6.275 -7.950 0.894 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 -0.567 -3.753 -2.076 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 -2.576 -1.551 2.066 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 -5.000 6.751 10.025 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 17.158 -5.098 -10.665 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 8.610 3.115 1.132 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 -22.102 -20.687 -23.724 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 23.292 -2.753 12.478 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 2.128 -1.052 0.029 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 4.348 -12.867 1.813 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 8.015 7.078 8.140 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 0.652 -4.495 -0.712 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 -9.274 -8.636 8.803 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 5.219 -5.603 -6.958 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 0.650 4.539 0.689 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 21.682 8.673 -1.572 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 4.095 11.561 -3.315 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 -4.295 2.264 -0.219 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 7.928 -24.259 3.032 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 -20.193 5.017 16.105 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 -0.422 -5.615 3.271 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 -10.732 4.281 0.208 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 3.668 -10.617 5.039 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 1.312 2.462 3.297 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 -2.668 -0.814 -7.618 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 -7.539 -2.075 -8.557 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 -3.654 2.019 3.370 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 -4.085 0.661 0.744 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 -3.056 5.218 6.609 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 -1.833 -2.839 -1.321 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 -8.376 2.420 -4.262 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 -3.026 -10.517 -2.252 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 1.319 3.057 2.098 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 -5.760 7.269 5.413 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 -12.850 15.939 -21.555 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 -1.135 1.733 12.813 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 11.774 -1.554 26.378 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 -6.418 -18.152 12.316 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 5.281 -4.577 2.556 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 1.834 2.554 1.950 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 -5.486 24.136 2.469 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 -0.964 2.973 -0.873 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 4.468 -16.373 21.761 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 -10.711 13.851 -8.388 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 2.301 -4.632 -1.552 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 3.827 -2.633 23.026 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 4.235 5.656 -19.737 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 -0.438 -0.903 -3.625 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 -7.093 1.825 29.883 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 -4.976 21.761 -42.198 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 -5.793 -0.457 1.085 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 5.168 -5.733 -13.369 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 -17.557 23.450 -4.330 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 -7.208 -2.204 1.230 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 -1.530 -30.261 17.288 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 -2.576 -7.400 -5.634 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 -2.086 3.037 -1.166 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 13.621 -4.064 6.368 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 -22.759 -2.953 1.965 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 -3.656 -2.761 -1.945 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 3.441 -11.359 -8.715 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 3.387 6.499 25.717 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 6.670 -2.765 -0.178 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 7.285 -8.516 6.608 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 23.571 13.341 -25.113 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 6.294 14.869 -1.467 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 7.911 10.969 -20.298 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 -0.575 -15.684 -18.496 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 -1.697 2.499 -3.914 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 15.618 7.467 -15.018 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 0.769 9.662 20.180 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 -0.720 -7.923 3.315 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 -12.774 -1.479 9.201 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 0.882 -4.644 -4.802 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 1.763 2.906 3.766 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 1.398 -1.225 -5.589 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 2.181 37.342 2.138 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 1.749 0.033 -0.907 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 -6.941 32.721 6.122 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 11.012 18.242 5.751 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 -4.303 -3.164 1.510 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 -0.876 -9.005 -6.605 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 6.945 -21.896 9.078 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 -2.848 3.823 1.782 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 4.970 -8.935 5.828 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 0.550 4.860 -3.927 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 -4.472 -0.270 2.235 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 -16.488 -10.134 2.496 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 -9.114 16.287 -4.062 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 -4.115 0.736 -3.181 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 10.188 -8.526 -9.595 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 -5.081 16.091 -12.353 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 4.063 0.615 0.449 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 8.119 5.517 3.979 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 -9.085 -0.134 -5.664 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 -1.017 -4.468 4.648 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 -2.769 -13.049 -9.485 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 -42.069 4.033 -25.148 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 0.054 1.351 7.207 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 1.862 19.831 -12.665 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 0.613 5.151 -17.074 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 1.320 -3.467 -3.505 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 3.433 -0.214 -19.723 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 -0.416 -8.956 -9.890 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 2.159 -0.683 2.918 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 2.944 0.893 2.975 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 2.887 -10.289 8.438 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 4.674 1.672 -0.366 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 9.435 -14.703 2.664 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 -11.808 3.354 4.321 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 -4.860 0.087 -0.314 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 24.357 10.294 -11.301 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 -0.520 -0.124 -17.117 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 2.385 5.068 -0.480 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 7.613 -6.098 4.667 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 -3.756 8.495 -4.670 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 -2.529 6.084 0.121 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 0.576 -1.018 5.989 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 -5.894 11.489 -5.483 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 -6.123 -0.092 6.562 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 -6.990 14.665 -22.394 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 -18.566 3.527 -4.844 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 5.795 6.122 0.480 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 8.187 7.396 0.809 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 -4.526 12.364 -12.622 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 2.958 1.068 1.976 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 5.552 -7.128 7.456 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 -12.517 -1.596 -0.127 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 -1.288 -3.589 -5.322 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 -1.903 2.481 -7.805 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 -5.614 -17.789 5.341 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 0.710 4.115 -2.369 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 -2.915 14.083 2.693 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 -0.608 -4.436 4.871 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 0.564 -1.328 0.526 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 -3.644 -0.481 -0.762 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 -6.330 -3.377 10.291 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 4.229 -2.203 -5.468 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 6.953 2.829 2.834 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 -6.030 11.764 13.911 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 -0.649 6.450 -2.727 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 -4.703 -9.029 -5.241 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 11.928 13.620 -19.529 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 -2.099 -1.242 6.148 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 -8.081 0.269 4.031 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 4.151 -3.563 7.629 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 -5.190 3.119 -4.934 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 -11.949 -1.001 -9.273 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 12.638 23.956 -16.998 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 -7.612 6.970 -3.001 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 7.199 18.657 -11.469 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 36.726 6.972 2.434 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 -13.033 -0.875 1.437 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 -1.924 3.578 12.794 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 -5.259 -4.844 -11.287 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 -1.258 4.003 1.547 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 11.135 2.006 17.529 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 10.432 3.264 17.193 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 0.263 5.531 -1.454 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 -0.489 -3.839 5.647 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 -0.541 -0.051 4.638 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 -3.940 2.978 -1.245 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 1.833 -0.860 -13.053 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 18.202 -5.421 -9.315 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 8.857 3.984 -1.787 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 6.123 15.360 -10.688 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 6.522 -4.075 4.573 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 0.595 7.611 2.696 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 -26.476 3.569 -7.488 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 -5.119 -24.144 10.873 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 -4.877 -1.793 3.322 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 13.787 3.276 2.235 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 -12.050 -5.634 -9.442 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 -1.167 2.688 -1.085 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 7.641 1.092 9.770 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 9.799 4.430 17.812 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 1.628 -4.709 0.737 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 1.724 20.398 -0.665 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 -2.322 14.748 -6.416 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 -0.861 2.811 -4.490 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 4.052 1.634 8.812 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 -5.594 -11.958 14.580 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 -6.198 -7.223 4.822 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 6.097 0.355 4.631 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 20.888 2.967 -5.320 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 3.782 2.097 1.509 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 14.738 10.201 12.147 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 23.977 -15.878 -9.938 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 0.415 -0.114 -6.141 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 -8.410 4.332 -3.487 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 -2.846 -20.921 -9.433 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 -1.141 -1.350 -3.041 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 0.351 -1.386 -9.524 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 0.894 2.387 -7.110 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 -1.089 -2.942 9.975 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 -20.845 19.113 17.658 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 1.742 -17.941 10.146 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 -2.052 0.600 1.413 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 3.222 -2.852 3.865 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 -14.619 -10.009 3.574 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 -0.169 6.598 2.602 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 4.786 5.716 -6.163 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 3.923 -1.353 -8.962 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 -3.765 -1.765 2.408 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 -7.120 -5.995 5.888 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 -1.546 -6.872 -4.821 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 1.201 0.664 -2.501 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 -5.683 -22.707 -9.554 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 -15.049 -5.487 -2.970 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 -1.928 3.569 2.202 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 7.176 7.258 -22.306 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 1.946 12.206 3.117 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 -6.218 -2.009 2.668 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 -2.733 -2.862 7.150 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 -4.882 -6.017 6.674 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 1.253 -0.111 0.891 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 21.540 -2.892 13.069 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 7.592 -3.125 -21.658 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 -2.658 3.336 -6.232 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 2.101 9.902 1.961 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 -8.667 8.975 -14.386 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 -1.245 -0.409 -4.901 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 -14.147 -13.826 -25.900 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 -10.592 -10.280 11.413 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 4.089 -3.212 -5.748 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 16.665 2.041 24.504 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 -8.877 -9.659 -37.803 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 -2.528 -9.443 5.814 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 -3.014 -6.277 27.723 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 4.183 10.448 -2.958 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 -11.069 -5.366 0.420 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 -40.073 -18.127 0.987 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 2.277 6.884 -23.804 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 -4.735 -6.001 7.625 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 22.899 -11.131 11.833 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 9.830 -6.534 10.887 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 1.591 -4.059 -1.387 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 3.784 12.878 5.565 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 7.666 23.172 24.596 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 7.403 -2.984 0.848 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 6.059 0.393 2.182 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 23.899 0.239 -2.801 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 5.065 3.244 5.273 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 -6.826 11.866 1.873 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 -1.879 0.721 14.599 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 0.742 -0.020 -1.594 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 -13.496 -3.426 -24.302 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 15.808 20.451 -6.754 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 -5.441 3.177 4.017 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 -22.450 6.433 2.118 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 4.126 0.291 6.092 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 2.088 -2.725 6.534 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 9.423 16.663 0.967 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 8.085 -14.830 -5.176 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 3.335 0.812 -1.782 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 -20.965 7.689 4.318 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 -5.653 3.941 8.325 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 -4.322 4.123 -6.492 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 7.082 9.568 -0.585 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 -11.378 7.872 -3.240 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 -4.482 -1.089 -6.442 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 -18.150 -3.971 -13.312 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 1.057 7.390 8.447 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 -3.628 -1.673 -0.293 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 -3.671 1.870 1.687 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 2.209 24.191 24.790 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 -1.880 8.367 -1.407 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 -0.091 20.622 -16.740 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 14.433 -2.847 0.656 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 10.070 -0.899 1.196 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 6.039 18.029 -2.252 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 10.466 -6.471 -2.042 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 0.744 -0.240 -4.053 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 -9.900 -2.103 -10.790 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 39.025 -1.046 14.048 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 5.242 7.622 -5.528 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 12.311 1.286 -3.094 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 1.058 13.882 -12.644 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 6.584 0.869 1.272 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 10.338 10.572 14.164 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 5.943 10.929 9.530 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 7.179 1.331 -7.261 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 5.332 -16.025 22.957 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 1.085 -22.062 -2.615 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 -4.312 -8.310 -0.593 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 -1.200 -15.274 -17.269 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 -11.767 8.719 -7.370 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 -1.767 2.716 2.412 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 -5.560 16.370 12.261 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 -17.698 -1.496 3.471 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 -9.553 2.356 1.947 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 -9.065 -7.758 0.992 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 1.535 -13.794 28.239 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 3.055 -2.953 3.195 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 -27.122 -32.897 24.883 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 1.158 20.781 4.486 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 1.142 -0.033 -1.955 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 18.341 18.716 1.204 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 9.838 -8.535 -22.945 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 -0.454 -6.245 -1.510 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 2.709 -16.975 4.683 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 -3.909 -3.249 -17.032 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 1.380 2.463 -0.178 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 -5.480 9.230 -3.698 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 -17.889 -5.423 15.478 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 4.138 3.359 2.240 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 0.617 0.623 6.609 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 -14.692 3.977 -6.148 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 0.485 0.368 4.355 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 -4.024 3.027 6.412 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 -2.602 10.659 8.868 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 6.559 -3.605 -2.831 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 12.936 -12.871 3.974 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 16.279 -8.823 -15.387 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 -11.635 1.666 -7.024 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 -16.866 6.299 -6.475 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 -13.902 3.130 -6.858 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 3.695 -6.093 -0.810 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 -9.656 -11.401 -5.767 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 25.353 0.372 2.498 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 3.793 4.367 -0.484 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 22.365 -14.284 17.283 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 -5.022 11.562 -7.383 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 3.943 -3.882 -1.756 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 5.550 -18.225 -19.248 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 -10.827 9.586 -12.726 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 -0.548 -0.207 6.391 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 -0.497 -0.740 -15.975 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 -2.210 0.803 11.290 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 8.325 -4.765 4.688 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 1.261 11.783 9.071 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 -7.300 -36.697 24.606 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 -7.626 0.122 0.161 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 -9.559 -12.356 9.042 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 -8.894 -1.545 0.807 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 -6.760 -0.458 4.664 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 -11.073 -2.263 -2.249 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 -22.460 -13.562 -31.593 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 6.495 -2.955 6.076 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 -4.441 -18.605 -7.718 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 32.499 -7.468 7.893 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 -0.350 1.866 -6.510 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 4.212 3.280 -2.434 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 13.274 -7.305 -0.418 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 4.329 -5.947 2.137 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 12.596 15.512 -2.080 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 -16.670 -14.704 4.505 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 -2.368 0.645 2.692 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 -22.024 22.815 -9.327 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 -25.683 -7.408 -4.557 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 -1.349 -0.635 2.522 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 -10.056 1.166 6.131 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 -22.269 -14.302 9.647 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 -1.583 4.795 3.005 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 -2.301 -0.560 0.700 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 -7.449 -2.819 3.781 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 6.155 0.882 0.368 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 -2.592 8.950 -8.593 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 6.252 -1.709 3.644 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 6.365 4.962 -5.309 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 9.761 10.911 -8.487 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 8.742 9.559 15.142 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 -5.068 0.092 3.784 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 5.941 -3.463 -4.162 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 1.032 3.389 12.560 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 3.380 0.307 -5.333 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 -20.831 4.807 -6.033 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 20.857 15.683 -7.983 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 3.605 1.285 -5.069 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 4.366 5.410 -8.856 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 9.146 2.391 -2.005 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 0.522 4.343 4.124 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 -13.009 15.133 -3.979 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 -30.315 8.553 -0.079 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 -5.399 1.006 -2.351 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 -17.337 -20.675 6.729 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 13.836 -20.295 -8.086 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 -4.439 3.100 -1.356 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 -13.009 12.314 -3.653 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 3.267 -8.318 -11.640 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 4.068 5.215 1.095 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 4.651 4.583 6.007 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 3.740 3.483 4.119 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 0.951 0.133 -6.799 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 10.542 -0.561 15.658 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 10.782 -15.392 -20.460 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 5.091 -0.636 -2.645 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 -0.746 5.602 -12.802 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 -0.386 2.257 -5.177 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 -6.238 7.935 2.918 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 -15.073 -0.773 -2.315 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 -6.754 4.592 -16.228 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 -3.091 -7.528 -4.194 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 19.961 1.208 -14.361 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 -26.859 -16.451 -5.799 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 -1.723 -1.529 -8.080 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 -3.880 11.611 -2.811 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 5.012 1.285 -19.176 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 1.238 0.312 -3.448 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 -2.744 -19.480 -9.630 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 3.852 33.161 28.325 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 -4.757 -4.986 -3.447 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 -3.317 -6.324 -11.757 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 12.726 17.231 -0.495 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 -3.651 -0.546 -0.273 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 -14.320 -2.563 1.461 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 0.474 14.359 -17.391 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 -6.021 3.398 6.088 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 14.424 -19.076 5.051 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 -22.370 -0.242 -19.091 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 -4.736 -0.756 -4.070 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 13.010 17.708 9.699 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 -4.761 -18.429 -4.796 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 -4.422 -9.156 2.602 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 1.883 -4.646 5.326 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 -12.738 0.708 8.450 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 7.851 -5.070 -3.399 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 1.335 -6.469 -10.043 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 18.587 13.496 -17.566 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 -0.170 -1.425 -1.436 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 -10.359 9.177 1.051 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 3.598 10.807 -5.350 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 -2.117 -0.550 0.129 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 -3.908 5.009 -0.951 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 9.619 -10.156 4.719 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 -2.774 0.633 0.133 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 -3.657 8.462 3.931 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 11.048 -12.056 -6.103 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 -6.609 2.015 -3.704 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 2.935 27.071 3.082 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 -11.560 -3.017 0.716 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 -2.024 1.348 -10.725 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 0.985 1.959 6.592 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 -12.413 16.392 -14.868 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 -3.510 2.771 6.102 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 12.951 -9.358 3.597 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 -22.495 3.855 16.851 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 0.521 3.263 2.936 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 10.008 -3.766 -1.577 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 2.390 1.289 11.992 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 0.372 0.761 -0.652 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 2.967 -8.619 5.996 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 1.875 22.217 -12.214 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 1.486 0.640 4.161 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 -3.919 5.125 4.235 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 4.799 4.715 4.225 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 -0.843 -0.081 -0.304 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 -23.941 5.211 -3.322 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 5.383 -23.131 -19.501 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 -4.402 -0.305 2.247 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 -5.260 3.142 3.483 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 -0.815 -5.410 -4.290 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 -0.909 -2.640 1.333 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 19.315 2.158 15.172 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 12.982 -0.004 5.987 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 -2.984 4.069 -0.356 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 0.068 7.648 5.754 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 -9.834 -3.116 -12.475 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 -1.830 -2.168 0.714 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 -11.309 14.994 -16.567 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 -13.035 18.522 -19.681 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 -2.839 -2.912 -12.985 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 11.430 -2.120 -4.225 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 -6.786 -11.000 -3.283 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 -6.091 -2.377 3.273 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 12.114 9.630 7.050 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 -3.155 -19.273 -4.054 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 -2.645 0.922 -5.113 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 9.212 -2.885 -9.626 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 -4.777 1.281 7.347 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 2.957 3.369 3.332 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 -4.136 -4.112 16.394 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 -1.148 17.348 2.912 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 0.254 -2.858 8.513 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 -2.365 5.493 5.311 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 -3.032 -0.212 0.376 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 1.046 -8.617 -8.664 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 5.563 -9.332 1.776 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 29.269 -9.765 40.997 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 -5.674 -3.541 -4.686 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 -13.334 3.974 -11.137 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 -11.908 5.858 -8.945 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 -0.276 -0.342 -1.343 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 4.170 10.095 13.448 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 -20.260 0.955 -2.629 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 2.869 5.454 4.668 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 10.490 4.456 -0.552 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 -6.029 -0.033 4.388 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 -4.031 -9.115 5.915 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 4.381 -13.228 23.758 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 5.688 23.227 9.740 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 1.110 6.345 2.644 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 -4.302 -6.821 -8.711 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 -13.178 26.278 -4.512 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 -2.460 -0.374 -1.978 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 -18.842 22.557 1.557 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 -12.936 15.994 -5.130 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 2.886 3.296 -2.725 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 5.249 8.926 12.301 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 5.325 -2.501 6.902 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 -3.844 8.209 1.995 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 23.483 12.965 -26.020 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 -27.208 -13.441 -13.831 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 -2.067 -6.655 -0.882 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 -2.128 -9.497 3.759 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 4.680 1.789 3.419 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 1.383 0.308 7.404 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 9.234 13.498 -5.493 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 19.294 -11.328 20.403 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 2.355 -3.071 -3.981 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 4.719 -13.062 -0.314 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 -7.596 0.712 -11.271 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 -9.539 3.347 -0.406 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 -24.985 2.442 -4.674 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 3.624 11.649 -6.012 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 3.486 0.037 2.656 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 15.770 21.658 -28.858 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 -0.359 -12.428 -10.230 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 2.397 -0.257 6.386 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 -41.056 8.267 22.432 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 5.695 -6.104 6.236 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 0.038 0.634 -6.952 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 4.153 0.730 -11.266 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 5.495 0.998 -8.668 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 -8.264 -1.796 2.651 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 -0.938 -15.214 -3.732 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 -18.078 11.510 9.432 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 1.816 2.267 -2.439 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 7.550 5.036 -28.553 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 16.137 5.192 -9.302 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 4.459 -3.890 -8.745 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 -20.777 3.649 -7.313 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 -9.647 7.550 -0.509 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 -4.770 -0.996 -5.743 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 7.890 -0.630 -17.658 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 -19.964 -3.152 6.804 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 2.721 -0.750 -9.003 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 -11.914 23.502 -6.049 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 -5.241 11.873 -7.707 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 1.955 5.462 -4.572 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 2.315 4.933 3.153 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 12.651 0.094 -2.244 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 1.025 0.195 4.090 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 -4.123 0.820 -4.878 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 2.498 1.616 4.562 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 -1.713 4.443 4.351 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 -7.307 14.728 11.042 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 -2.390 -5.754 -7.850 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 -3.404 3.258 0.936 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 -12.557 -5.632 14.580 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 10.646 -6.831 -6.437 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 -3.213 -2.530 -2.577 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 -17.099 -2.721 -12.615 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 -9.969 -22.355 4.425 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 -2.723 -2.592 -6.192 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 -1.557 -9.482 -5.451 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 -18.547 21.509 -3.648 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 2.244 2.672 -7.533 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 3.260 7.837 -17.652 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 -2.884 -5.210 1.634 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 7.135 -0.175 4.297 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 3.814 14.861 -7.332 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 5.236 6.311 1.784 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 -2.957 4.735 5.531 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 11.868 -5.775 2.280 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 -5.333 -4.076 0.485 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 -3.975 1.960 -3.603 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 2.591 -22.765 -3.256 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 -3.812 10.375 -38.361 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 -4.709 5.989 2.161 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 -6.462 -12.061 10.431 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 -0.744 11.488 1.858 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 -2.276 0.913 -1.922 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 6.422 5.664 -5.141 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 -5.873 -2.004 12.174 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 -7.588 2.248 -0.720 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 9.756 20.791 -13.841 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 0.161 -11.266 12.519 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 3.700 6.978 -0.336 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 4.490 8.978 2.415 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 0.317 14.021 -38.398 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 0.450 -5.035 -4.136 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 0.769 2.880 6.362 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 14.127 19.852 -23.052 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 -3.006 2.804 -1.029 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 -1.258 -1.190 -0.146 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 -4.739 2.516 -4.085 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 6.421 -4.343 -8.056 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 7.939 11.289 9.805 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 2.693 -14.886 7.882 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 4.730 0.351 1.060 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 5.170 -1.215 10.176 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 -2.270 -5.582 -1.623 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 -4.917 4.527 -0.133 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 2.092 -11.266 27.715 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 -5.020 10.735 -9.036 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 3.815 5.746 -3.596 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 -2.015 0.705 3.796 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 2.961 -1.593 -0.256 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 1.476 3.680 -0.649 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 0.785 -5.844 18.036 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 25.325 -30.958 -13.647 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 3.387 -0.739 -0.461 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 8.330 13.207 -3.911 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 0.152 1.022 -1.996 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 2.365 -0.432 7.057 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 3.939 -5.861 10.664 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 11.200 -7.083 -13.693 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 2.354 0.543 -2.550 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 -1.870 -13.803 4.176 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 -1.054 -18.751 18.255 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 -3.004 -3.213 2.685 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 1.350 -4.294 5.386 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 18.043 -6.781 15.802 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 -6.818 2.143 -5.930 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 -18.379 -3.759 -0.007 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 -3.095 25.982 -4.688 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 -2.404 0.488 -2.148 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 -22.496 13.170 4.304 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 21.428 6.838 -16.808 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 -1.073 3.100 2.352 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 3.464 14.590 -9.417 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 -6.554 4.329 0.415 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 2.901 -0.630 6.152 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 -8.948 -4.920 -0.103 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 -26.866 -5.727 -4.402 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 5.685 3.473 2.547 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 2.195 -11.463 5.879 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 11.507 7.172 11.653 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 -4.904 -1.129 0.104 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 -2.390 -0.438 13.486 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 -5.954 8.504 -26.591 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 -7.338 0.917 0.929 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 -1.678 -6.839 -7.182 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 -10.824 12.408 -4.226 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 -1.674 -1.634 -10.545 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 14.833 17.009 -31.463 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 -4.720 -5.964 -5.565 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 5.198 -1.935 10.886 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 0.842 15.537 24.836 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 11.480 -17.163 -1.798 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 -0.306 1.178 1.342 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 -2.733 -14.650 -4.810 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 1.247 0.725 0.866 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 7.273 -1.734 -10.287 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 22.465 -0.757 -0.668 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 1.599 -3.334 -14.252 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 2.271 6.373 -4.260 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 -23.780 25.665 -19.521 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 -6.259 8.571 14.739 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 -0.817 9.211 -7.877 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 -1.483 15.902 2.868 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 -3.842 10.962 -0.603 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 5.971 2.557 3.700 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 14.153 7.798 4.350 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 17.753 8.331 4.892 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 4.994 5.194 11.305 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 10.403 12.651 20.873 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 -0.583 12.587 3.379 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 0.813 3.137 6.532 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 2.094 6.844 -21.056 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 10.585 -11.128 9.776 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 0.291 -0.318 -0.824 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 8.335 -11.438 0.827 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 0.074 4.960 -22.290 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 3.892 1.666 -4.277 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 18.605 1.884 9.592 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 -11.171 13.881 -2.650 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 -1.181 -4.407 3.868 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 6.535 17.042 12.361 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 -13.628 -5.080 -17.307 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 -1.967 2.649 -7.887 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 -37.184 5.238 37.687 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 -10.997 1.299 -2.304 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 3.068 6.713 6.818 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 10.500 4.605 19.197 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 -7.588 5.474 -9.157 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 2.167 -2.474 -3.891 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 16.858 6.489 -20.612 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 15.102 30.148 11.586 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 -1.284 -0.627 -4.726 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 3.420 14.576 5.349 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 0.248 -13.598 -30.217 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 1.367 -0.622 -10.523 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 -9.273 -7.375 -20.093 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 13.600 -10.185 1.749 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 -3.190 4.206 0.967 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 -5.257 13.966 3.598 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 38.975 6.587 3.251 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 -3.818 1.067 -2.245 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 -7.684 -8.376 -9.819 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 -6.150 -2.230 -5.894 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 3.397 0.962 -10.659 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 -8.192 14.357 17.822 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 1.071 -1.672 -1.805 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 7.929 4.233 -4.267 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 23.245 7.874 24.508 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 -29.890 -5.681 26.365 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 1.595 -2.145 -0.375 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 -1.264 21.473 -10.829 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 -0.621 -6.763 -0.078 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 -4.909 0.066 -4.158 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 -6.180 -1.404 -8.196 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 -2.454 6.577 -0.130 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 0.326 -5.799 6.974 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 -11.062 5.665 -0.661 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 -5.026 8.738 6.124 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 -6.215 2.449 -0.081 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 -9.372 -4.952 -6.472 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 -9.399 8.360 0.358 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 1.284 1.714 -5.272 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 0.817 -5.785 -13.709 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 -4.806 -2.988 2.877 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 4.007 -7.698 -4.645 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 -0.803 5.032 -17.984 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 11.490 14.890 -15.449 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 3.026 8.783 4.834 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 -4.693 -10.878 11.515 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 6.912 21.834 0.827 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 2.689 -2.074 -1.019 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 1.471 -17.272 3.302 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 3.448 0.076 -0.937 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 -3.317 -0.327 3.566 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 -9.538 -12.470 5.331 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 -11.404 -2.687 -6.189 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 -3.658 1.331 5.906 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 -28.821 -41.598 -7.496 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 -6.026 -2.451 4.459 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 0.654 -2.831 1.112 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 11.349 17.312 8.807 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 3.492 -3.441 4.711 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 -6.728 -2.168 3.973 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 -9.700 -6.132 7.722 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 -6.743 -6.572 6.663 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 3.554 2.347 -1.682 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 15.247 -25.587 -13.214 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 0.025 9.905 -3.093 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 0.115 3.692 -0.529 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 -3.323 0.385 -3.010 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 -1.854 0.690 0.986 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 -3.090 -0.473 -0.505 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 4.898 9.193 -18.427 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 -9.102 -7.293 11.093 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 -2.101 -2.461 5.263 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 -6.030 -20.117 18.796 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 -0.403 -4.014 10.789 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 -1.131 -0.493 -0.466 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 1.872 9.797 -26.567 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 16.154 -10.864 8.600 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 2.854 -6.290 -4.549 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 12.044 -26.621 -17.246 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 6.791 -19.989 -18.986 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 -3.521 0.190 -1.730 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 -6.360 1.291 12.855 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 -1.966 -2.552 1.852 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 -0.097 -0.500 9.371 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 -17.001 18.632 -3.584 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 5.544 -19.116 -8.988 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 1.501 8.758 10.034 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 13.278 10.425 -9.515 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 9.290 7.603 -25.999 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 3.206 -3.414 -5.619 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 13.269 -4.107 5.384 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 7.818 -3.948 -16.892 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 2.235 -0.419 3.606 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 -11.051 -20.229 -2.607 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 15.529 23.004 5.949 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 -3.115 -4.401 -3.568 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 4.050 -15.239 -7.096 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 2.333 -13.283 -6.927 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 3.277 -0.150 -3.684 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 5.088 6.500 -9.172 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 7.559 -10.029 -7.097 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 -1.526 6.533 -1.551 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 -1.827 -0.834 3.260 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 -1.406 0.220 -0.593 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 1.974 0.005 1.149 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 16.335 -12.961 -0.085 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 10.350 17.221 6.147 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 -2.943 2.114 -2.481 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 21.345 4.655 2.961 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 3.008 9.577 -26.800 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 1.451 0.370 0.605 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 -1.858 -22.830 17.018 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 2.920 11.655 -4.650 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 -2.007 -0.644 -0.159 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 -21.491 7.826 -11.806 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 -2.315 -3.360 -10.979 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 0.950 -1.763 0.616 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 4.063 -5.288 12.217 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 13.000 -3.044 -5.710 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 1.849 0.003 -1.718 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 4.884 -14.802 5.608 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 -0.240 1.880 -6.966 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 8.650 1.463 0.738 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 6.429 -11.407 -1.048 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 -5.351 8.985 3.298 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 -5.329 -1.922 2.453 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 8.091 -1.898 -16.552 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 1.003 29.392 -3.059 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 0.208 -1.447 -4.946 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 2.428 0.395 14.150 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 -20.984 -12.647 28.871 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 -4.471 -4.626 -0.878 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 -1.114 -16.109 -32.728 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 -1.383 -6.778 -1.434 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 4.405 -2.469 2.817 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 6.240 -1.265 -34.845 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 -10.796 -32.407 -8.409 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 0.448 -1.084 -1.300 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 -2.465 30.216 11.571 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 -5.088 -7.068 -7.965 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 -4.265 -1.121 3.070 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 -11.074 2.846 10.493 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 2.663 -2.397 -23.842 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 -4.107 13.120 -3.198 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 -8.221 2.155 4.896 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 -3.837 12.664 -11.123 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 1.013 3.859 -2.219 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 0.726 3.422 -11.279 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 3.972 13.915 -5.972 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 -2.042 5.643 -1.767 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 -5.902 -6.154 6.790 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 -14.981 18.870 -2.260 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 8.620 4.682 -5.929 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 -16.253 -6.993 25.522 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 17.154 5.433 -14.342 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 -3.905 -5.896 1.413 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 2.572 11.537 -29.635 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 -10.677 -24.917 10.714 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 -6.090 -2.791 5.589 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 -5.304 -23.658 16.981 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 14.381 15.405 -5.319 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 -3.247 1.373 -5.510 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 3.053 40.559 -9.556 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 14.865 -2.682 28.731 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 3.958 1.781 3.846 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 6.102 8.415 2.400 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 -4.002 -16.664 5.363 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 4.463 -1.312 2.913 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 7.713 -4.207 2.577 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 6.284 0.006 2.907 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 0.259 1.377 4.221 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 11.122 -1.501 -22.724 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 28.324 23.333 6.229 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 -0.507 7.388 7.785 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 -13.195 -15.047 26.486 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 12.668 10.065 -1.670 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 -3.182 2.040 -0.925 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 -22.079 2.712 0.632 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 -2.324 3.001 -5.498 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 -1.836 5.673 8.842 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 -11.131 -3.663 7.839 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 -4.703 53.981 -18.638 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 -5.848 1.684 -7.639 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 22.801 -5.761 -7.627 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 33.566 -8.105 -7.967 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 -1.912 -3.465 -1.076 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 8.802 -18.443 -1.342 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 -10.912 -14.513 -13.407 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 -3.429 3.397 4.701 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 9.685 -1.004 6.088 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 -14.331 11.591 4.062 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 7.382 -1.351 1.885 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 4.201 -7.854 0.025 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 -3.671 -1.575 1.079 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 5.212 -3.117 2.839 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 -10.467 4.587 10.403 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 9.715 12.739 -12.683 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 3.929 2.993 0.148 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 9.380 3.191 0.758 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 1.228 -3.784 -5.355 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 1.363 3.375 -1.869 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 13.524 -8.478 14.777 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 -10.829 -30.665 9.808 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 -0.393 4.685 -2.993 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 4.444 -2.851 -13.554 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 3.437 18.456 -11.352 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 0.405 -0.071 5.503 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 -4.779 -6.950 4.302 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 -17.160 -20.723 -0.064 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 -4.750 -6.487 1.319 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 -1.357 -13.487 -3.473 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 -4.991 -3.594 5.108 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 3.778 -0.452 -3.548 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 4.765 -5.478 -2.326 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 0.006 -0.644 2.859 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 -5.244 -1.433 0.439 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 16.158 14.590 -23.203 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 -16.570 -9.463 13.006 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 -1.620 -1.946 -0.815 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 5.637 2.300 -11.106 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 -9.827 -14.488 11.084 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 -0.227 0.414 5.941 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 -8.897 -21.053 -12.190 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 10.887 26.624 27.960 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 2.122 2.570 6.964 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 1.754 3.132 2.689 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 4.433 6.449 6.455 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 0.201 -1.467 4.280 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 7.707 7.814 15.491 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 -11.515 -10.423 14.545 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 -1.943 7.296 -0.934 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 -1.854 -23.272 1.070 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 -0.988 -10.960 -0.718 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 1.654 -5.419 -10.088 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 -1.744 -2.206 -8.245 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 -10.421 -1.571 -7.812 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 3.258 3.656 2.130 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 -16.342 4.052 0.106 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 -4.049 12.430 17.457 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 3.528 0.686 -5.632 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 9.128 -28.765 -2.032 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 -0.864 4.063 5.379 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 5.463 -1.688 4.327 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 8.152 18.234 6.662 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 -14.038 -5.158 6.014 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 -9.410 -5.463 1.581 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 4.785 -26.870 23.232 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 35.850 14.246 28.481 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 0.002 -1.166 7.180 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 28.172 -27.296 3.369 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 6.030 -40.167 -39.038 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 -6.392 0.034 -3.630 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 -3.294 -12.719 -13.927 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 -0.133 -7.746 11.658 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 -2.411 0.917 -0.164 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 9.154 0.131 4.163 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 4.926 11.515 7.059 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 -4.068 2.159 -1.250 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 -1.657 21.869 14.733 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 7.138 -10.373 4.573 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 -0.514 3.568 -3.385 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 -25.774 6.863 -7.228 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 11.666 12.936 9.955 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 -0.048 -2.324 4.730 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 -2.481 -2.424 0.969 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 -7.644 11.787 -11.696 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 5.658 -3.951 2.388 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 -2.118 -18.924 -3.109 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 -9.008 5.738 -5.975 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 3.440 -1.413 -0.996 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 3.004 -10.352 -7.247 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 9.244 18.276 6.696 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 3.428 -4.669 0.461 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 40.239 24.244 -15.504 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 -9.841 0.814 -2.514 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 0.138 -4.100 3.846 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 10.101 9.224 -9.461 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 3.690 -16.583 8.836 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 -1.845 0.078 3.482 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 4.829 -1.036 7.380 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 16.729 -5.179 8.084 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 1.140 0.755 -6.405 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 -5.605 7.646 -9.559 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 -0.238 -3.516 -12.885 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 -2.928 -7.942 -3.725 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 -7.247 8.876 3.865 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 -2.142 -1.172 -9.801 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 -1.501 5.290 -1.293 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 32.004 14.577 0.742 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 4.676 5.219 -1.746 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 4.693 1.452 0.384 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 -21.303 -2.638 -20.926 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 4.348 20.751 35.650 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 -2.322 -5.480 -0.492 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 2.327 -6.706 -5.626 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 -8.219 3.492 -2.442 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 6.467 7.734 1.942 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 12.066 -2.072 4.513 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 -2.246 2.605 -11.598 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 0.631 1.185 0.990 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 2.071 10.817 -11.580 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 0.761 13.376 -14.535 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 -5.106 -6.770 -4.105 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 -20.178 -6.092 -17.561 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 -23.029 -1.745 -8.418 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 2.502 -0.025 -6.762 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 -3.046 -28.510 -6.820 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 2.497 15.047 -6.377 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 -0.399 2.937 -0.910 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 -11.037 -0.382 12.276 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 -7.316 2.564 -2.656 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 -3.469 0.716 -1.664 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 -14.237 11.089 -6.929 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 -0.958 -12.779 2.377 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 3.310 -3.126 -4.858 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 -16.320 11.199 -12.176 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 -16.261 -5.262 5.026 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 -6.834 -4.118 -0.163 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 1.411 0.852 3.290 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 -27.110 -9.470 8.690 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 -0.331 -4.817 2.507 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 17.197 13.596 7.138 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 -18.283 0.763 22.316 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 4.338 -2.242 -5.196 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 -14.609 19.233 -9.997 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 4.571 -4.966 15.196 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 6.276 -0.633 -3.539 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 -17.240 20.088 -0.551 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 -3.846 -22.372 -14.966 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 -9.277 -4.321 -3.117 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 -6.917 -9.019 -11.405 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 -14.319 -6.609 -5.001 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 0.145 -4.825 -4.943 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 4.782 -5.090 -2.432 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 2.152 -18.028 -6.661 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 0.054 -5.512 1.361 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 2.997 8.702 7.478 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 -12.875 -3.566 -6.200 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 5.613 0.502 -1.192 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 15.874 18.535 -5.668 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 7.087 -0.004 10.952 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 -3.793 -1.899 -7.152 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 33.797 1.225 -24.425 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 25.383 10.440 1.645 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 1.011 -1.147 6.801 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 23.658 -6.639 -2.516 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 -16.738 -7.482 -4.499 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 2.809 6.586 3.677 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 2.654 11.631 -20.346 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 -1.654 8.317 -9.295 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 -2.277 2.833 4.622 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 -5.678 -5.059 -4.207 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 -6.636 -13.512 -4.556 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 -3.540 -3.687 -5.660 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 -21.785 -11.088 33.853 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 19.450 6.759 -36.409 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 -5.018 9.098 -0.503 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 -13.532 17.636 -10.148 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 15.752 16.759 4.026 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 -1.320 2.986 -3.872 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 -18.427 2.392 29.005 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 29.018 13.303 -9.983 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 1.341 -1.246 2.973 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 25.057 7.720 -8.414 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 -1.204 22.716 0.429 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 -4.285 9.072 1.734 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 -30.335 11.132 9.057 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 -4.063 2.830 -11.470 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 -7.896 -0.606 -11.042 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 5.475 11.396 -0.583 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 -7.838 -10.986 0.915 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 -7.542 3.109 -4.489 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 -18.452 5.632 1.080 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 -2.536 -11.952 26.362 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 1.013 0.705 -0.833 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 13.386 14.316 -9.173 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 2.389 1.603 0.533 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 4.179 -4.782 7.822 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 15.061 -7.424 -3.173 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 -7.848 2.349 -10.500 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 -10.194 7.550 6.952 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 -21.762 22.881 -15.656 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 6.837 -30.371 -17.272 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 5.261 -1.002 2.236 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 17.921 -1.830 -8.240 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 8.850 -8.250 10.958 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 0.229 0.379 1.901 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 -3.987 7.810 -12.900 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 -10.045 -12.059 7.971 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 0.599 5.091 -0.199 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 15.176 -12.593 -12.703 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 -4.911 1.250 -8.920 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 3.402 -0.630 1.420 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 27.454 13.873 -4.054 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 -19.584 18.068 -5.105 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 0.317 -1.244 1.328 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 -0.019 -9.143 12.292 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 -7.182 -6.221 -6.701 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 0.997 1.916 -5.496 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 -16.594 20.633 -2.735 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 -7.603 0.469 6.191 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 -3.973 -1.493 -6.727 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 -6.491 -27.274 0.696 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 15.485 -22.494 -0.736 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 -0.191 5.445 -1.503 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 -8.513 -14.806 -14.598 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 -11.706 3.555 18.846 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 -0.386 -1.713 7.075 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 -16.358 -1.652 -0.242 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 -1.464 -5.562 -1.070 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 1.679 -0.231 -3.676 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 -3.095 -9.756 1.120 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 -0.634 6.239 5.845 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 2.447 2.443 -1.906 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 -9.539 21.106 -6.590 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 12.840 -17.709 2.122 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 -1.198 -5.452 1.926 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 -5.001 1.332 27.559 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 -0.865 10.344 14.685 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 7.978 0.725 -1.695 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 10.208 2.494 1.375 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 8.019 5.683 -6.953 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 8.346 -4.116 6.695 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 11.844 20.261 -9.959 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 8.682 7.171 1.995 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 6.178 -3.536 5.907 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 7.979 23.829 -17.989 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 -14.987 -14.072 19.522 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 0.210 7.418 0.522 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 8.772 25.663 -10.523 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 10.712 -19.512 -18.382 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 5.554 7.883 -5.626 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 0.743 -6.890 -5.127 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 -0.871 -2.841 4.294 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 -0.619 6.161 -0.360 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 13.677 -12.744 -2.017 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 1.144 7.074 -7.659 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 -3.807 1.649 -0.415 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 -13.040 -17.788 26.957 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 -4.407 3.275 2.188 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 3.531 3.702 -1.996 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 -14.134 6.576 -1.287 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 15.501 12.959 -21.728 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 -4.502 0.655 3.887 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 -3.654 3.878 18.253 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 -7.975 13.003 -2.323 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 -1.426 0.028 0.656 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 -7.074 -2.689 0.046 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 11.631 0.379 -14.605 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 -3.706 -0.331 0.967 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 -5.319 -16.463 3.119 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 10.181 23.634 16.999 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 -7.992 1.914 -4.407 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 -7.372 -13.671 -1.867 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 19.553 0.664 11.750 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 0.431 -3.999 4.095 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 -17.156 -11.360 11.393 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 20.708 2.479 -19.178 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 -2.311 -1.491 3.181 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 -2.969 2.879 0.215 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 -8.762 1.414 -8.171 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 6.016 -4.167 1.589 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 -23.483 -22.281 -6.251 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 -6.954 19.448 10.773 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 8.454 1.326 6.484 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 9.041 -5.411 18.631 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 -14.692 6.156 6.681 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 -2.172 -1.356 -2.825 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 -14.433 -5.668 -0.690 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 8.499 -5.063 -7.087 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 0.197 9.093 -6.939 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 -1.301 4.613 15.470 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 6.356 6.925 -14.643 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 1.296 -5.004 -7.309 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 -16.118 4.509 13.269 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 3.856 -10.055 -15.173 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 4.924 -4.988 -1.804 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 -0.634 -9.116 28.085 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 0.322 -15.818 -17.857 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 4.777 4.883 -2.796 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 -0.000 23.021 -4.293 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 0.346 7.988 -4.419 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 -4.765 -0.276 -3.584 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 -4.152 -14.655 -19.885 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 -31.362 21.430 6.425 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 0.204 2.856 5.839 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 -0.549 0.243 1.582 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 -8.052 -7.547 5.046 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 2.794 -4.963 0.399 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 -1.126 -26.894 17.526 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 16.682 3.809 23.044 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 3.174 0.388 0.934 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 10.387 -8.908 0.210 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 13.046 3.635 -0.880 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 4.049 5.625 3.396 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 -5.772 -8.287 -7.303 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 -0.186 -13.009 15.153 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 -2.385 -5.530 1.461 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 -1.332 0.547 9.980 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 -12.830 -8.447 1.783 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 3.659 -0.810 0.765 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 3.181 -1.190 -0.867 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 18.132 -7.952 -2.818 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 -1.454 1.756 0.622 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 -5.781 -15.919 21.034 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 -3.914 -14.215 0.986 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 -1.897 1.363 -2.226 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 -10.737 21.315 -16.835 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 -7.140 -23.998 24.101 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 -0.622 -1.823 6.626 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 3.986 -0.322 1.563 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 -15.590 -15.695 17.484 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 0.990 3.059 -7.716 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 -5.629 12.233 -2.601 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 14.247 0.303 -6.871 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 2.667 -1.330 2.941 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 -19.969 17.175 15.937 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 22.160 -18.861 4.447 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 -4.624 -3.761 -2.695 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 -15.072 15.171 -0.367 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 8.790 -2.900 1.114 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 1.495 3.386 3.604 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 -3.132 2.395 1.565 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 6.021 6.199 5.724 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 6.822 5.698 -2.500 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 21.661 -9.165 -1.527 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 -10.352 2.656 -15.633 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 -3.209 4.644 1.351 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 3.969 10.030 30.671 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 -10.931 -1.870 -27.598 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 -2.785 4.112 -1.786 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 -3.799 5.520 -20.302 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 -4.253 1.364 8.849 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 3.187 -1.692 -1.642 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 1.144 -3.222 -3.825 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 2.721 -5.401 0.759 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 -0.016 1.443 -0.080 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 -11.520 2.053 14.183 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 18.723 2.781 -10.785 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 4.888 -2.109 1.018 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 10.499 -12.021 12.343 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 9.023 -3.913 4.545 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 -2.533 -5.295 -1.816 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 -14.232 -5.011 -1.856 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 -4.701 -12.657 2.565 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 2.298 0.060 -0.102 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 8.003 24.927 22.863 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 -3.010 -8.733 2.925 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 4.803 -2.487 4.654 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 -20.583 26.923 16.812 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 11.575 -2.414 -1.777 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 7.117 3.228 0.770 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 13.654 0.584 3.419 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 -20.375 19.098 -19.057 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 0.709 -5.681 0.514 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 -5.354 -7.939 2.911 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 -6.309 19.149 -3.080 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 2.025 0.488 3.161 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 -10.416 4.493 -17.593 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 -6.937 8.557 5.822 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 -7.256 1.495 1.699 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 -3.666 7.911 1.914 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 -5.412 10.044 -8.831 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 1.407 -13.179 -5.558 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 -1.059 -20.712 9.777 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 14.573 -0.135 -5.882 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 -4.554 -6.609 -0.395 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 6.088 -2.707 6.188 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 -4.967 3.665 6.084 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 -4.341 -1.017 -4.327 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 1.264 6.785 6.558 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 -15.015 -2.278 1.526 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 -1.685 0.435 5.685 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 -1.372 2.442 7.783 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 24.116 -21.097 15.457 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 1.405 12.525 4.693 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 18.973 3.020 13.618 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 9.697 29.231 8.391 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 -1.353 1.472 -6.259 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 -10.021 -2.939 -2.151 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 -9.403 -2.493 1.570 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 -2.647 2.326 -2.035 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 -8.915 5.346 3.896 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 -7.340 1.753 -13.683 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 1.100 0.577 2.791 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 4.330 3.241 -18.196 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 -17.799 1.807 6.141 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 -9.740 2.738 -4.905 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 -4.033 -15.867 17.823 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 23.031 0.979 -10.937 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 17.503 0.399 1.053 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 22.102 0.820 19.709 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 1.539 10.950 15.235 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 -4.414 -0.791 2.054 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 4.480 8.912 -36.166 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 17.568 -4.820 4.869 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 -7.677 2.473 -4.554 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 -3.318 2.470 -20.689 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 -10.562 9.610 -7.733 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 1.161 -0.407 -6.697 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 25.771 10.138 -11.548 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 23.160 9.120 -6.970 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 -3.475 5.815 0.350 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 -6.484 -2.770 -0.595 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 -9.478 10.914 5.535 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 0.479 -3.794 -0.601 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 6.709 -20.872 19.941 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 -1.660 -6.109 -4.811 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 -3.311 -0.303 -1.613 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 0.202 -10.608 -27.715 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 -5.930 -5.967 10.594 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 -2.166 2.527 5.724 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 -10.937 -11.537 25.442 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 2.145 -0.899 11.760 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 -6.707 7.164 -1.290 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 -9.702 8.782 -7.542 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 9.912 -3.706 31.546 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 0.726 -1.386 -1.022 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 -2.623 3.278 -1.328 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 -10.427 -29.440 14.011 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 2.987 5.317 -0.598 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 -7.450 -16.021 15.172 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 21.294 -2.995 11.268 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 10.050 -7.609 -5.762 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 11.233 -3.930 4.889 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 6.980 -10.031 18.257 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 -0.192 -1.528 1.902 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 18.281 -6.797 -5.919 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 -8.847 17.851 -9.286 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 0.049 -1.260 6.518 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 8.877 -28.089 18.990 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 4.340 -0.684 -31.879 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 -11.621 -3.178 7.279 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 8.476 -5.582 -8.804 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 17.566 -19.428 18.694 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 -2.720 2.013 2.611 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 -7.710 17.919 -12.555 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 10.787 9.631 6.503 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 3.241 -5.115 0.779 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 6.125 3.480 -0.813 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 0.454 12.204 19.399 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 -3.665 -3.396 0.842 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 -9.132 0.551 -17.193 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 2.163 17.124 -8.367 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 -5.446 6.104 -3.322 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 0.521 10.115 -2.073 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 -10.554 9.705 2.196 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 2.321 -5.404 0.919 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 -3.614 5.141 -8.960 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 0.814 -3.194 -1.834 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 -6.321 2.782 -2.787 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 -13.939 -8.913 3.608 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 13.662 28.319 -10.632 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 -5.406 -6.135 0.747 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 6.185 4.522 7.410 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 -15.067 9.213 -9.705 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 -2.504 -1.251 4.088 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 -6.593 -1.888 -27.315 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 -0.546 10.536 -16.694 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 -4.122 3.537 -1.135 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 5.357 -0.068 -2.322 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 -21.758 -7.210 1.738 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 -7.213 -0.898 5.887 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 22.744 16.346 5.327 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 7.753 14.503 -5.950 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 -3.473 4.671 -0.357 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 -8.920 -1.527 6.484 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 10.263 15.525 -12.584 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 -1.939 1.044 -3.296 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 10.045 -12.968 -7.175 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 5.681 20.557 -9.288 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 -1.822 2.263 -1.900 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 -9.623 3.699 -0.510 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 -16.126 7.564 1.109 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 3.815 -4.385 1.606 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 -3.730 5.921 -0.916 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 -21.908 1.848 -20.701 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 -6.588 -0.136 -2.085 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 5.985 1.001 -37.141 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 11.513 -2.905 -5.015 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 -1.801 5.545 4.030 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 -4.573 -5.978 13.272 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 -11.199 4.354 -6.768 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 0.225 -0.865 0.524 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 4.173 3.586 -5.414 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 -7.637 0.610 9.665 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 2.440 4.618 -0.565 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 51.265 -7.773 15.180 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 12.048 6.004 11.911 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 -8.295 -4.207 -5.127 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 -7.433 21.953 4.407 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 -13.637 26.710 -5.677 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 -3.562 1.026 -0.055 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 -4.877 -8.077 -2.016 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 -9.813 8.022 -12.881 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 4.054 3.676 0.545 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 0.494 -3.506 9.172 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 -21.031 -9.389 17.231 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 2.430 4.826 -7.646 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 -7.861 6.098 -7.162 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 -1.909 -0.733 -7.463 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 -0.848 2.368 -0.351 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 -21.662 35.601 -18.955 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 -2.874 -3.824 2.189 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 -1.112 -4.783 -0.365 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 14.614 7.255 -0.499 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 -8.990 -6.994 -2.869 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 2.972 1.218 3.538 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 0.367 -16.123 18.891 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 -15.619 -24.629 42.337 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 5.067 2.384 4.884 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 5.079 -17.324 -7.121 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 -3.491 5.944 -2.293 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 6.096 6.191 1.144 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 5.323 9.417 5.685 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 5.529 -7.201 -2.167 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 -1.374 -1.952 4.039 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 9.011 -2.729 -16.068 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 28.659 -10.116 0.980 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 0.477 -2.566 -9.198 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 -3.109 -0.510 2.224 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 11.717 6.153 -10.957 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 -0.843 3.070 0.726 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 16.179 -5.583 14.349 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 -28.315 -2.361 36.105 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 6.257 -11.196 4.556 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 -1.482 4.221 -8.233 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 14.926 -31.837 19.169 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 2.735 0.693 1.653 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 1.721 7.946 -0.773 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 1.399 -3.839 -4.317 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 1.084 0.688 -2.872 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 23.202 -9.771 7.815 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 -31.767 -7.173 -15.209 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 3.181 6.214 -5.061 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 -2.714 -10.479 -11.710 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 -5.110 9.525 -1.517 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 -2.971 -2.935 -2.599 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 -10.515 -7.970 -1.500 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 0.199 -9.574 15.479 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 -6.447 2.002 4.920 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 2.084 17.602 6.799 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 11.528 10.996 11.414 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 -0.622 0.440 11.731 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 3.340 -0.152 20.106 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 -17.406 -3.342 -22.383 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 -3.359 2.531 -0.041 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 -1.791 1.491 0.408 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 -7.613 -0.981 -12.814 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 -1.262 0.132 -1.689 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 -7.993 13.842 -6.892 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 0.805 -6.092 -3.615 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 2.899 1.560 -7.113 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 17.812 10.397 17.715 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 -4.551 -3.579 -17.226 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 -0.029 2.245 1.292 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 0.384 16.932 -5.614 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 2.140 15.471 -1.250 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 -0.088 -8.378 6.258 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 2.154 0.175 5.071 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 19.836 -1.233 -2.526 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 -4.084 2.938 8.640 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 -5.148 30.473 4.889 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 -24.932 -5.800 -1.855 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 1.407 3.880 -5.986 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 1.947 4.044 3.792 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 8.198 19.695 -11.528 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 5.317 0.560 -5.273 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 -4.842 -4.475 -6.337 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 -19.068 30.075 -0.559 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 3.989 -0.394 0.917 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 6.225 4.405 2.473 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 -0.960 -22.160 0.794 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 2.033 4.918 2.899 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 22.391 -13.492 -18.936 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 -28.832 2.474 -8.989 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 6.123 2.213 -6.095 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 9.156 16.376 -26.684 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 14.964 -2.065 0.290 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 -10.472 -2.194 2.566 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 -2.579 6.185 1.591 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 13.132 -18.834 20.977 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 0.235 9.959 0.630 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 -14.696 -18.097 -20.435 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 -6.758 26.344 20.993 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 1.500 3.724 2.195 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 -9.577 13.920 12.968 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 -15.882 -24.550 1.659 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 8.483 6.679 1.633 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 -23.224 -19.354 -18.755 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 4.190 12.877 8.794 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 -0.300 3.568 2.370 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 22.665 1.649 -16.728 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 14.630 -12.657 20.399 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 -2.322 -8.821 2.365 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 12.840 -4.324 -3.562 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 -12.416 1.321 -6.096 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 -7.423 4.605 4.343 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 22.436 -13.200 0.473 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 1.532 -9.958 -12.252 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 3.725 -0.334 -4.463 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 3.389 -0.550 0.031 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 0.787 -3.400 -5.195 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 3.771 5.051 -3.574 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 21.260 -8.781 -1.321 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 0.213 -1.227 4.011 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 -5.562 -0.008 -1.156 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 -20.892 8.278 5.411 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 20.529 -13.727 -12.259 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 -1.454 -2.284 0.246 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 -2.708 9.987 27.896 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 -2.570 0.059 7.318 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 -8.901 -2.464 0.337 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 -17.815 7.644 -9.626 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 -1.073 -6.006 14.648 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 0.125 -4.223 7.759 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 3.353 -23.676 14.916 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 8.519 4.308 20.503 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 1.951 1.425 -11.323 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 -14.811 38.356 5.500 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 4.169 -3.055 -12.280 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 -6.676 1.183 8.168 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 13.459 -18.541 15.967 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 -10.850 7.548 0.075 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 4.342 -4.653 -7.701 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 0.253 -15.844 0.004 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 -4.769 3.346 5.567 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 -1.096 7.517 4.297 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 -0.576 -1.714 13.214 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 0.678 6.009 1.589 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 -0.127 -4.775 -3.687 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 13.248 -4.301 -16.310 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 4.412 -13.093 -6.215 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 -2.893 -1.649 2.806 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 7.716 -18.867 17.604 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 -14.162 3.510 -11.989 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 -3.944 -1.733 5.518 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 -12.372 10.012 -1.572 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 4.547 -10.400 7.081 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 2.549 3.346 0.774 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 -4.135 16.335 -15.979 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 -0.877 19.784 -39.628 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 -0.305 2.256 6.000 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 -3.517 -6.665 24.704 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 -5.294 -9.581 -9.806 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 -3.440 -2.584 1.800 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 -12.447 -7.557 -12.435 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 2.273 -7.990 8.750 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 2.623 -1.633 -1.375 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 0.666 -8.805 -21.876 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 -6.947 6.521 -5.152 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 4.480 -2.846 2.943 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 -7.001 -4.812 -9.008 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 11.581 -6.520 2.192 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 0.688 3.595 -2.738 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 -22.611 0.136 15.561 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 -7.163 -12.219 -10.982 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 9.261 3.713 -0.537 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 15.291 13.139 -1.807 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 -11.347 -28.950 24.494 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 -0.931 -2.569 4.823 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 11.080 14.334 -13.533 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 9.358 14.073 9.742 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 -2.100 -0.247 -2.507 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 3.058 7.555 10.039 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 -4.119 3.602 13.567 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 -0.911 -5.506 7.776 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 5.476 -1.579 4.112 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 26.006 5.754 3.471 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 7.597 1.083 3.236 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 4.647 -6.969 7.015 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 16.686 13.154 10.731 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 0.937 4.874 3.083 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 11.745 7.747 19.238 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 -1.423 4.425 -4.267 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 2.774 3.831 -2.770 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 -9.107 11.564 8.900 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 7.204 -3.433 -14.725 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 -2.163 2.439 -3.586 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 4.859 5.557 -20.662 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 -19.207 -6.823 36.910 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 -1.990 0.787 -1.280 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 20.389 -12.147 -23.678 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 13.781 -12.345 -1.219 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 1.517 2.750 -6.037 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 -2.627 4.227 -9.021 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 2.326 4.275 0.546 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 -1.318 7.858 2.763 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 -7.073 -5.691 -16.548 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 -6.769 -0.277 -22.405 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 1.896 -7.072 3.514 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 0.574 3.476 8.220 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 -7.283 -26.182 7.383 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 4.416 -8.793 -0.026 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 0.657 -0.090 14.191 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 0.332 -25.205 13.221 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 8.787 -1.335 3.796 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 0.045 35.010 -1.315 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 0.448 -26.562 6.178 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 -0.290 -4.981 -3.527 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 -59.296 -0.276 -2.615 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 4.489 -2.467 -6.348 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 -1.931 3.969 -1.108 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 21.061 -10.332 5.743 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 12.211 1.235 -0.222 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 -9.304 -3.995 -1.453 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 1.691 8.770 -6.556 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 -6.775 0.892 -3.910 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 -3.349 -0.213 3.162 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 -3.918 -4.852 6.456 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 -9.128 -0.557 -0.214 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 2.986 1.598 -2.603 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 0.081 3.737 -4.767 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 4.718 -1.412 -5.076 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 -2.586 0.318 3.824 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 -14.174 -1.278 -6.250 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 -25.910 -10.491 -23.572 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 0.834 -0.576 0.816 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 4.172 -0.859 -0.513 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 10.427 -2.794 -6.271 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 0.237 -1.068 -2.033 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 -7.948 2.424 -11.867 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 -7.251 -11.676 8.541 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 7.219 -2.649 1.176 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 15.527 -5.680 -0.488 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 4.570 8.678 1.510 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 -7.694 3.062 4.256 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 -21.073 10.954 -0.402 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 -10.184 -12.028 8.414 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 4.052 -1.199 -5.025 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 -10.811 5.986 -3.263 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 6.732 -4.965 -5.308 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 4.443 -3.242 4.108 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 9.698 7.180 11.031 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 -7.605 -38.121 8.331 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 -1.518 -2.587 -9.006 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 -11.165 -16.026 -6.740 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 7.276 9.894 -15.527 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 6.974 -1.959 -2.594 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 1.422 -7.692 -6.690 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 -7.000 3.422 4.739 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 4.798 -4.302 -4.373 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 0.554 -13.949 -15.171 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 4.611 -3.376 -4.393 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 3.217 -0.356 -2.596 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 23.022 7.940 10.167 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 3.419 17.331 8.717 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 9.463 5.917 12.762 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 -6.718 -8.014 27.004 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 15.591 13.841 -6.805 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 -3.750 -7.577 -2.249 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 -3.551 -0.113 -7.483 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 -19.913 14.610 -2.381 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 3.065 -2.580 -4.100 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 -0.008 0.148 -3.444 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 -3.135 10.099 0.527 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 -2.302 -0.854 1.252 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 0.520 -7.202 -0.991 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 -4.639 -5.224 -4.693 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 -1.620 2.468 -0.333 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 -7.950 18.841 1.476 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 16.200 -16.397 -0.475 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 4.815 1.337 3.559 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 6.433 -1.146 5.717 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 -0.697 6.072 -1.250 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 2.054 -2.818 -2.530 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 -12.968 19.720 4.511 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 15.290 -21.426 -8.847 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 2.011 -4.789 0.013 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 -16.548 -6.788 4.354 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 -16.878 -23.065 12.742 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 -2.288 -2.640 2.991 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 14.662 -4.731 -12.160 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 5.217 -11.366 12.323 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 4.090 -2.963 -1.870 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 3.723 17.318 -9.816 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 28.704 0.163 -1.666 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 0.191 -3.302 -5.243 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 9.811 -27.927 3.917 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 23.118 20.118 -2.228 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 2.563 -10.505 -6.074 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 -6.224 20.565 -8.986 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 -20.725 -5.516 -14.536 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 -5.212 5.564 -4.512 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 5.121 4.149 3.616 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 -1.734 -8.318 -7.374 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 1.838 0.700 -0.443 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 -4.246 10.767 -3.937 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 -18.235 32.606 14.764 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 -3.392 -3.912 4.276 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 -18.229 10.569 -7.066 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 11.168 -12.861 8.041 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 10.650 -1.992 -2.526 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 13.100 -0.292 -9.789 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 19.766 8.531 -26.598 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 8.843 2.442 -4.440 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 7.158 -0.345 -4.563 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 -10.363 -26.736 14.120 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 -5.488 2.502 3.638 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 -10.235 15.026 -7.884 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 -11.365 10.008 -1.195 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 7.413 -5.532 3.905 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 7.659 -7.750 16.255 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 9.617 -11.634 -4.416 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 -0.663 -0.154 0.890 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 -15.074 18.220 -0.692 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 7.183 5.524 4.444 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 -0.797 0.360 -1.453 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 -23.077 -15.370 -19.176 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 -3.017 -11.289 38.622 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 -7.100 3.095 -2.132 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 1.520 6.825 -7.920 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 -14.087 6.042 -9.713 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 4.880 2.573 -0.373 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 6.459 -10.700 -6.755 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 1.702 6.965 22.709 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 -3.141 -2.515 4.706 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 19.124 -24.085 -6.657 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 -15.140 8.288 -5.756 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 -0.324 -4.644 -5.022 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 -5.688 -11.837 4.912 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 9.673 9.140 -9.837 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 -3.519 0.887 -1.674 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 -2.934 2.098 -1.014 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 -3.015 1.578 -1.621 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 -0.852 4.617 1.367 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 11.311 2.555 -2.963 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 0.363 3.522 4.919 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 -2.551 -0.484 1.726 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 36.174 -15.884 -12.152 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 -7.896 -11.440 2.824 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 6.654 -2.736 2.340 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 5.683 9.473 10.472 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 7.614 3.284 3.474 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 -7.548 1.777 7.772 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 -9.598 -6.171 8.390 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 3.875 -3.852 3.615 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 -2.019 -4.131 -2.982 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 17.544 -5.992 -24.939 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 14.527 -16.191 20.418 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 0.045 0.732 1.526 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 8.879 -10.371 -9.093 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 -13.557 10.738 -2.247 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 -2.398 0.872 1.531 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 -21.996 -33.493 1.134 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 5.744 9.187 -3.349 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 -0.435 6.635 -8.355 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 6.741 -4.698 -7.795 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 -17.235 -7.006 2.731 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 1.319 2.535 -3.185 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 7.830 13.216 -3.655 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 -9.425 -27.486 -1.321 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 -2.658 -1.266 -0.873 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 20.528 -16.311 5.213 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 -11.261 -19.374 -0.084 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 0.931 -2.862 -7.173 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 -3.391 -7.657 -6.305 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 -8.088 -6.221 -3.642 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 -2.648 -1.761 2.551 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 17.670 1.653 -5.605 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 -16.653 -4.634 9.718 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 -1.003 7.117 1.877 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 -15.642 -16.704 9.029 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 19.837 28.283 3.998 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 7.254 -5.744 5.299 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 -10.265 0.638 -2.486 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 1.620 0.527 -5.632 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 -3.053 -8.884 2.044 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 -10.096 21.571 10.206 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 -2.954 -14.265 0.544 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 -7.648 -8.139 -1.869 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 12.816 -1.351 10.060 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 8.371 5.394 -0.582 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 -4.055 5.302 3.040 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 -12.729 18.721 9.863 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 4.021 -23.308 0.748 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 -0.857 -3.240 -3.021 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 18.909 -21.744 -8.768 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 3.661 2.451 -9.732 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 -3.787 4.775 0.922 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 19.906 10.128 11.048 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 -15.736 9.285 10.760 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 -1.159 -0.199 -0.952 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 8.900 -2.591 9.429 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 -15.257 -7.534 -9.202 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 6.038 3.800 4.275 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 4.152 11.923 2.981 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 3.905 13.911 4.026 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 5.315 2.533 -6.832 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 -8.217 -18.222 -24.993 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 -3.658 -12.743 13.898 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 1.289 1.824 -5.951 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 12.716 -2.498 -2.599 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 10.886 -3.978 -7.190 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 3.829 -0.519 -2.912 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 -15.474 -8.436 11.931 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 23.924 -15.024 -10.861 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 2.138 1.939 5.484 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 9.963 -14.368 16.050 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 1.521 -4.213 -18.317 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 -4.459 1.535 4.664 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 -4.082 0.654 20.458 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 -4.323 -22.601 0.713 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 7.838 -4.318 -0.626 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 16.952 10.182 -12.170 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 -12.595 2.547 3.233 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 2.719 1.185 3.138 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 7.224 -5.950 -17.574 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 -17.542 3.280 -32.375 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 2.865 1.657 -3.221 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 6.824 -1.300 5.311 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 -7.244 -8.333 11.322 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 -5.714 -3.090 1.235 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 -15.702 6.159 -0.992 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 -8.459 29.363 -6.120 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 -3.802 0.416 -2.226 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 5.181 -15.729 -10.203 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 -6.131 4.425 -3.077 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 10.432 3.761 -2.302 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 -5.388 -14.679 -16.565 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 2.891 -1.671 -1.110 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 -1.194 -4.891 -0.304 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 -5.378 22.048 8.389 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 7.499 -21.077 26.608 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 1.758 -10.938 0.209 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 -0.365 30.511 4.734 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 6.672 -9.308 -2.376 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 -3.067 -10.121 7.052 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 -30.284 -5.922 25.723 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 12.752 -13.289 4.033 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 2.642 4.015 -3.531 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 13.670 -7.234 -2.120 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 -0.323 9.532 -4.060 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 3.237 2.963 -0.939 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 -1.571 -2.110 -1.943 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 10.454 2.111 8.724 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 4.096 -1.517 0.541 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 0.504 0.200 14.549 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 -12.910 -2.021 -6.671 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 6.189 2.013 4.866 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 17.789 2.082 -1.394 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 16.017 2.210 -5.551 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 1.143 2.332 -1.278 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 10.533 -2.755 0.725 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 -11.482 4.233 -5.054 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 4.298 4.374 2.623 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 12.117 10.009 2.048 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 13.581 -11.652 -9.272 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 -2.752 12.041 -3.733 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 8.913 7.716 -8.866 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 3.540 -3.455 -13.431 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 -0.281 -1.150 -5.961 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 -17.331 19.440 -8.616 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 2.431 5.188 2.435 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 -11.346 3.693 0.771 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 11.448 0.776 -7.023 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 26.684 -5.452 -19.486 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 -0.557 9.230 -2.497 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 -0.551 13.537 -22.528 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 -6.825 3.368 27.975 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 1.904 7.279 -1.803 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 -5.137 8.085 -20.986 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 3.944 -4.940 -7.696 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 -1.271 4.878 -6.935 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 -2.677 -0.957 -12.370 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 5.607 6.856 2.324 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 1.746 -9.802 -2.815 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 10.567 1.985 -3.202 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 6.512 -2.434 -8.937 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 -0.396 -3.165 -0.428 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 2.981 -6.146 -1.431 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 -2.125 1.965 5.540 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 -0.687 -5.139 -3.828 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 -11.856 -8.840 -3.487 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 2.121 -15.840 3.780 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 -2.486 -2.638 2.976 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 -8.972 5.593 -3.371 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 -11.448 -3.139 13.557 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 2.790 1.693 1.235 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 1.907 1.113 -2.618 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 -0.123 0.527 -3.477 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 5.548 1.840 -4.929 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 13.749 -12.389 -1.352 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 -10.860 -2.948 1.554 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 6.567 3.540 -9.668 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 -6.299 4.751 -20.416 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 -19.177 16.634 1.783 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 1.353 6.379 -1.110 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 2.055 12.087 -0.143 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 -7.215 -1.114 -8.411 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 -0.739 -8.464 4.890 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 -13.010 -4.755 12.179 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 7.520 11.309 22.429 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 -4.572 -3.893 5.851 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 2.791 -2.368 -21.785 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 -25.311 -8.116 3.685 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 4.014 2.214 1.521 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 22.340 -7.826 6.787 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 -2.749 16.219 -0.916 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 -6.579 2.129 -4.501 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 15.491 -0.899 -23.366 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 2.353 -1.316 7.853 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 -1.590 -0.675 -1.364 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 -6.697 -4.080 -3.524 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 -15.185 -4.000 -5.075 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 7.083 -1.315 -3.374 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 -9.460 -8.408 9.500 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 -1.160 5.949 0.328 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 -5.621 3.515 -6.307 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 16.635 25.854 0.253 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 -1.395 9.013 24.540 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 1.356 -5.017 -6.182 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 12.722 -7.303 -16.339 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 -10.371 -11.207 -13.571 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 -4.070 2.395 0.881 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 -15.524 -5.305 5.969 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 39.563 -5.761 17.013 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 -1.399 1.012 1.334 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 -4.966 14.803 4.970 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 -0.444 6.623 -0.167 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 1.089 -2.734 -4.328 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 9.765 7.358 3.322 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 17.976 -6.615 10.576 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 -2.136 1.484 -5.166 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 -15.628 2.920 -12.844 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 3.751 -11.863 -10.029 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 -4.524 -0.843 6.685 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 -6.009 -9.999 6.801 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 -4.793 -1.872 13.703 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 -2.736 0.785 -1.054 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 -4.854 9.931 1.930 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 -7.633 -1.503 -6.496 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 3.663 -0.137 -0.958 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 -6.139 -4.327 -8.290 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 2.110 6.779 6.174 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 -0.764 -6.176 0.491 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 0.944 -12.832 -1.515 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 -11.923 -16.902 -5.615 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 -1.482 12.040 -7.087 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 12.960 11.428 15.807 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 4.580 -1.505 2.766 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 -0.015 3.787 -1.182 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 12.539 -0.458 10.052 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 -9.540 4.914 -8.533 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 8.899 -11.288 -1.529 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 5.602 -20.382 -7.866 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 5.694 -10.660 13.263 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 6.953 6.066 -0.056 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 12.755 1.757 -15.781 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 -0.044 8.048 26.809 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 -0.523 1.734 1.236 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 -3.566 4.230 7.749 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 -0.685 2.652 0.081 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 5.422 10.520 -2.913 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 -20.621 4.464 7.141 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 19.885 -9.389 9.804 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 1.095 2.103 1.283 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 -27.202 14.244 3.696 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 8.816 -14.688 -1.731 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 1.805 3.461 3.048 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 -2.199 3.671 -0.528 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 -12.452 2.373 11.662 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 5.168 2.260 -1.514 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 13.633 11.168 3.185 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 -5.968 -13.131 -1.779 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 1.917 4.102 2.007 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 7.653 -13.935 14.548 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 7.638 22.662 10.700 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 4.905 -1.239 -4.378 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 3.036 2.698 -4.000 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 -4.982 -9.865 -8.297 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 -0.457 1.156 -1.829 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 -1.866 -6.166 -22.442 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 29.378 -3.701 -8.049 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 1.132 -0.185 2.000 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 22.121 -0.583 -7.696 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 8.913 -5.124 -2.657 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 -3.907 -1.390 -2.788 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 -19.343 -13.231 -0.208 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 -4.239 -15.797 -14.846 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 -4.068 -3.093 -4.240 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 -3.464 2.173 7.598 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 -2.516 13.886 24.386 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 -2.133 -3.918 4.501 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 -11.571 -38.046 -10.740 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 1.630 14.873 11.331 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 0.922 2.379 1.872 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 12.050 -4.765 -14.061 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 -9.098 -4.789 16.612 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 -7.232 -0.397 -2.820 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 10.186 12.716 -13.789 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 -8.600 -15.555 -17.340 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 -1.582 -2.223 -5.162 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 -9.938 -12.273 -35.802 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 -15.813 -7.545 8.035 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 8.182 -0.533 -1.480 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 -10.264 -8.225 16.823 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 16.639 -3.478 11.041 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 -0.575 6.212 -1.328 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 -3.382 -4.183 -8.514 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 10.434 16.071 -4.693 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 -1.320 6.308 -1.791 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 -7.087 8.384 -12.976 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 1.704 13.248 -7.171 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 1.120 1.878 -5.794 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 -5.944 -3.404 27.838 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 17.573 -19.546 -10.782 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 -2.152 -4.770 -7.718 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 -11.940 -0.713 -9.770 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 -9.044 -16.883 3.530 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 4.321 1.322 1.761 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 -11.363 8.092 2.154 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 -0.947 3.714 1.874 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 -2.426 -1.201 1.736 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 -24.994 -10.346 -38.058 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 -5.240 -2.173 16.476 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 -2.234 -4.620 -2.677 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 -10.402 -2.873 -9.424 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 1.125 -8.334 3.313 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 -0.751 2.580 1.431 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 0.368 -2.737 3.245 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 -14.418 -6.766 8.681 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 6.233 6.993 -2.630 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 10.883 4.701 -4.073 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 -19.239 25.744 -0.588 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 0.130 5.182 7.172 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 8.446 1.549 -1.289 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 7.212 -6.283 11.859 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 -1.064 0.660 5.276 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 -0.189 22.536 -15.329 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 -8.469 -9.010 5.052 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 4.650 0.869 -3.271 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 14.567 1.457 -18.831 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 -1.874 13.829 1.107 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 5.927 2.737 0.660 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 24.849 10.368 23.705 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 26.841 26.244 17.710 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 2.572 -1.000 3.898 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 -16.103 21.505 3.650 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 21.045 -22.567 1.372 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 2.810 -1.429 0.491 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 3.812 2.023 1.542 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 2.402 1.074 -9.826 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 1.452 -3.592 3.025 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 -15.218 -20.947 -10.217 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 -5.125 -6.512 30.598 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 1.199 -1.137 -4.962 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 3.753 -7.364 -5.292 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 0.842 -0.357 -4.699 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 4.496 5.021 -4.321 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 9.022 3.127 -1.954 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 12.289 -0.274 -9.794 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 -6.937 1.024 3.683 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 -1.490 -0.958 -3.882 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 -6.772 -5.431 -5.162 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 0.372 -0.428 -0.532 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 12.089 -13.846 4.072 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 -13.942 -15.456 -4.523 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 0.428 7.281 3.377 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 2.620 -5.408 16.744 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 -25.135 -16.168 15.691 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 1.803 -3.022 -5.553 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 -0.454 1.865 11.106 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 -6.160 -14.314 28.433 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 3.536 0.273 -0.467 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 2.599 -1.009 -0.471 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 1.757 20.977 -9.276 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 1.006 -8.278 -0.785 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 23.208 8.513 0.816 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 12.737 12.387 -0.131 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 -3.716 0.577 2.529 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 -19.738 -2.866 9.698 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 -23.970 20.076 18.051 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 -2.034 -4.125 -3.657 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 14.871 11.954 21.459 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 8.340 -0.108 -26.173 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 1.904 4.618 4.443 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 -2.409 -12.813 4.698 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 -10.454 -3.596 -1.789 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 -0.912 2.598 1.667 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 -2.091 -7.863 5.299 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 -11.388 -15.019 6.633 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 -0.528 1.070 -6.961 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 9.877 0.349 -17.149 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 -4.839 -5.000 -15.020 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 -3.095 -2.439 -3.147 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 -3.300 -12.553 -9.361 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 4.089 -9.975 -18.475 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 2.016 3.613 0.953 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 -21.561 13.417 2.319 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 -0.088 7.259 -4.802 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 -3.453 7.161 4.582 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 -1.995 9.299 6.046 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 -0.086 12.710 8.527 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 1.617 -1.775 -5.168 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 8.270 12.784 37.017 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 7.078 2.258 0.804 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 -2.437 1.352 -2.424 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 -5.111 -4.366 0.759 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 18.768 22.207 -12.314 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 6.119 5.283 -1.295 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 16.262 -0.455 4.498 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 -19.317 27.119 -8.976 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 3.473 0.145 -7.341 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 -1.352 2.777 11.162 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 3.967 7.419 -5.453 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 -1.393 2.784 0.167 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 -17.033 6.536 -10.362 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 -8.066 7.010 -2.420 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 -5.615 -2.552 4.273 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 -17.409 -6.101 -0.719 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 -8.089 -20.313 -9.447 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 4.576 -3.336 -5.445 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 -14.218 -4.099 -8.652 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 13.591 -13.362 4.566 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 1.698 5.868 1.636 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 -11.344 -6.546 30.136 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 -11.722 -6.380 21.116 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 1.767 8.873 4.733 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 -2.926 11.369 -1.222 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 14.827 4.117 -2.253 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 5.494 -3.384 7.886 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 -6.211 0.823 11.014 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 4.806 -15.551 7.328 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 1.173 3.147 1.320 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 -11.713 2.674 -5.784 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 -11.643 26.540 -23.384 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 2.239 6.857 1.294 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 8.905 11.053 -3.651 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 -13.342 2.672 0.099 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 3.198 -4.912 -2.140 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 8.765 -31.977 18.139 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 -3.459 18.675 -22.940 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 2.977 2.182 -1.147 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 -1.861 6.002 -12.059 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 6.001 -11.678 0.633 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 -0.171 2.372 -2.671 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 5.314 10.124 -0.903 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 -11.285 -10.579 -4.666 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 -4.207 1.716 3.630 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 15.947 1.740 17.784 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 -1.699 -20.027 -1.699 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 3.240 6.554 2.086 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 13.062 -9.289 -5.100 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 -4.435 12.492 8.364 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 6.670 -2.893 -1.279 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 2.247 -8.186 2.440 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 6.091 -2.936 -8.573 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 -5.365 -1.767 -1.452 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 18.447 5.020 -13.691 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 1.797 -21.576 21.695 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 -2.673 1.767 -2.490 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 1.612 -5.413 21.494 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 -18.859 13.125 38.793 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 1.194 2.698 -0.941 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 -33.217 9.753 5.881 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 3.919 -4.829 34.464 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 -4.084 3.058 0.634 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 -2.150 -1.211 1.538 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 -16.518 16.607 -5.228 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 4.773 3.444 0.510 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 0.474 -5.112 6.488 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 -13.792 15.799 -12.291 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 5.557 -3.151 0.919 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 -5.714 -24.830 1.400 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 -11.392 12.516 -14.643 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 -0.983 -3.446 -0.213 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 -3.611 -8.071 11.867 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 -10.164 -5.652 25.585 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 -2.368 -3.115 5.937 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 12.559 10.291 -19.735 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 -9.588 -7.706 19.653 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 3.875 -3.974 -4.796 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 2.843 -32.058 4.972 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 41.668 2.164 5.968 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 4.684 4.162 0.561 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 5.246 -13.994 -16.074 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 -6.521 -7.103 22.315 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 2.201 3.818 -1.529 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 2.729 14.058 -7.055 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 2.249 -6.464 3.220 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 6.272 -7.436 -2.311 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 6.038 -4.886 -9.414 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 3.059 -1.221 -13.101 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 -1.013 3.910 4.129 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 -20.414 5.439 6.607 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 -16.483 9.482 -10.401 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 -2.862 -8.116 1.777 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 -7.490 -25.608 -20.984 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 12.801 -0.353 -22.348 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 -1.916 -10.889 1.526 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 -12.948 -2.330 -35.779 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 -2.675 -8.637 -9.909 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 8.223 -2.999 0.723 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 -3.777 16.004 4.556 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 -18.511 19.311 7.748 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 -9.767 -1.029 -1.469 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 -9.150 -21.872 -0.626 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 -11.208 -8.920 -15.471 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 5.512 -0.988 0.972 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 18.810 -1.502 -1.003 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 2.679 15.614 2.067 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 -4.861 -6.350 6.386 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 -21.742 -27.853 0.652 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 -2.990 -4.246 27.907 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 -7.556 3.116 -2.470 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 -25.005 4.374 6.923 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 -2.034 18.161 -10.067 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 2.937 -2.072 -0.522 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 -7.742 -12.858 -7.704 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 5.031 6.005 9.061 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 3.715 -1.873 -1.580 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 8.911 2.388 -1.374 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 20.050 15.861 -5.947 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 -8.078 3.334 8.128 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 20.632 -11.085 9.968 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 -28.087 11.233 17.003 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 -2.863 -1.418 6.904 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 0.864 -6.139 5.660 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 -5.738 1.969 7.275 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 1.888 4.004 5.647 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 6.024 8.995 11.027 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 -11.278 -18.927 -16.395 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 5.433 4.944 4.713 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 1.931 -1.731 24.781 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 2.612 -7.301 -7.044 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 -1.608 -5.610 -0.097 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 -2.984 -6.824 -20.737 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 14.975 -8.497 22.056 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 0.285 -1.923 -6.334 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 6.522 1.641 -4.955 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 10.671 0.901 -2.791 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 0.108 0.772 1.409 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 -9.658 0.048 10.575 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 3.803 -6.340 -11.329 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 4.511 3.657 -1.673 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 5.409 20.537 -4.682 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 -4.523 -7.372 -14.567 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 -4.823 -3.441 1.993 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 -4.001 6.475 0.226 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 -4.658 11.036 3.465 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 -1.111 0.675 -1.997 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 7.741 22.581 3.497 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 -10.283 -12.258 -9.203 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 -3.038 1.768 -0.880 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 -17.460 -3.873 21.831 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 19.375 8.678 9.702 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 3.905 -4.138 3.139 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 13.602 4.315 19.190 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 5.954 -35.962 12.596 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 -6.238 1.506 2.270 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 -18.026 -14.084 -4.673 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 5.956 -4.512 -6.151 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 1.815 3.893 -2.521 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 11.365 9.324 -12.706 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 12.327 -13.170 -32.157 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 -3.786 1.325 -3.321 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 -7.956 -10.077 3.231 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 -8.244 26.344 -6.909 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 -1.187 6.830 -1.256 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 1.955 7.585 -7.552 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 -5.798 2.944 14.826 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 -1.751 -0.416 -3.215 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 20.490 5.253 -1.028 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 -23.339 11.160 -1.050 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 -6.275 -6.065 2.619 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 -20.211 6.103 -3.669 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 -5.128 -23.723 -8.741 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 -2.947 3.903 -3.342 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 -21.371 -12.828 -9.886 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 11.739 -13.039 14.726 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 -0.124 -0.550 1.556 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 0.521 -12.805 5.637 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 3.158 18.728 1.748 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 3.037 6.265 1.286 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 -14.884 -0.548 8.466 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 3.545 7.181 -21.683 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 0.634 12.240 -6.014 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 -6.496 5.806 0.851 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 -22.888 12.650 15.190 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 -1.014 -1.574 -0.121 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 17.559 13.267 5.600 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 4.763 -10.186 -2.155 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 -2.354 4.489 2.532 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 17.209 2.679 10.583 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 6.991 -3.150 -4.526 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 0.004 4.289 -3.630 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 3.046 -16.623 15.593 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 13.232 24.145 3.906 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 -7.518 -2.727 -3.366 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 34.049 -17.389 -10.779 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 -4.612 19.223 -12.695 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 -3.020 -0.315 -3.634 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 -2.426 -0.357 6.018 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 -6.551 8.731 -0.020 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 3.206 0.450 -2.600 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 1.359 0.728 6.063 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 16.359 5.104 -27.307 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 -4.635 -3.611 -1.537 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 16.330 -18.231 -43.327 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 -9.322 -7.685 -14.824 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 5.439 1.440 2.169 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 19.681 -3.855 -21.435 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 -1.175 -29.670 -6.157 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 -3.272 2.354 -1.596 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 4.737 3.957 -4.266 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 -18.728 -2.125 -6.865 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 5.776 -0.026 2.395 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 -2.825 18.164 5.531 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 -12.678 -8.932 22.262 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 -1.862 5.547 -1.316 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 -2.053 -15.693 4.360 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 17.526 9.992 -12.043 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 -1.055 -5.424 -3.919 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 -5.103 -9.520 0.680 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 -4.527 -22.048 21.353 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 1.365 2.488 0.053 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 -0.989 -1.539 -8.838 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 -1.874 2.702 -26.801 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 -4.852 -2.748 -8.235 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 -1.664 11.867 -15.488 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 5.487 -2.559 4.493 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 3.171 -1.065 4.474 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 -9.258 -8.675 -4.034 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 10.020 11.673 2.798 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 -1.920 -3.132 -6.122 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 -17.771 -5.577 17.374 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 -1.614 -1.023 -2.890 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 3.149 6.791 5.325 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 14.189 11.759 14.069 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 -3.221 -11.867 22.091 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 0.292 5.013 -0.678 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 -15.999 -26.605 -3.157 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 19.635 1.932 28.467 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 -0.249 -0.758 0.465 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 2.474 14.296 -21.974 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 -0.161 -19.670 22.105 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 0.324 -3.181 4.131 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 5.133 4.391 -9.721 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 2.547 12.643 9.980 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 5.740 -4.209 0.990 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 14.616 -11.130 -24.467 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 -11.174 -23.154 10.007 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 -3.525 3.850 1.533 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 8.378 -8.876 -9.947 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 5.202 -5.537 -9.091 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 4.576 -4.155 1.124 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 18.039 -16.832 6.239 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 -13.802 -3.100 -10.716 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 3.574 6.062 -2.083 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 31.209 10.461 12.904 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 -0.259 5.990 -6.773 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 1.646 -4.039 -2.185 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 5.281 0.646 -6.430 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 0.733 -13.436 -0.498 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 -1.382 -1.606 -0.514 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 -12.517 5.417 -12.896 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 -10.807 4.934 6.180 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 -1.571 -0.024 -0.493 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 -1.750 6.117 26.622 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 -12.166 22.206 -2.440 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 1.559 -3.735 -5.636 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 3.013 -16.533 -11.243 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 12.054 3.715 -13.848 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 3.976 -8.160 -3.877 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 -11.309 -13.386 -10.407 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 -39.890 -23.636 -26.119 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 -0.672 7.520 -11.520 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 15.321 8.677 -13.245 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 -1.351 -6.807 -7.262 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 2.062 4.606 0.942 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 -6.264 8.112 2.554 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 -26.849 5.258 13.610 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 7.289 -0.408 -2.160 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 -7.385 3.295 1.744 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 21.644 -6.406 -5.837 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 2.836 -1.350 -0.201 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 10.191 0.194 5.507 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 -18.428 -2.006 -2.259 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 2.140 3.271 5.569 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 1.365 5.637 6.483 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 8.202 -7.359 0.629 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 5.416 -0.583 -5.544 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 0.069 0.360 -30.126 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 -13.026 12.758 4.841 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 -0.322 1.323 0.302 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 16.807 12.558 0.329 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 -22.167 -12.585 0.639 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 0.754 -1.994 4.683 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 2.314 -8.927 17.020 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 -9.350 -10.736 -12.620 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 4.196 1.081 3.167 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 1.222 -12.703 23.003 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 7.342 15.673 -16.426 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 -0.716 0.609 12.032 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 9.003 8.677 -21.856 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 -0.463 4.914 -3.431 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 4.470 1.046 -0.801 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 -4.740 -25.616 16.735 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 7.476 5.475 -8.121 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 -4.910 -7.813 -0.264 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 -30.559 -3.039 6.408 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 -6.752 -3.309 -29.858 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 3.757 -3.744 1.639 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 12.943 -1.376 -2.292 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 4.636 4.927 -19.038 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 -1.262 0.070 3.515 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 -3.831 -4.652 -1.359 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 3.085 4.298 -5.272 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 2.803 2.194 2.539 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 8.905 -19.255 14.440 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 2.262 -4.807 -21.793 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 2.129 1.375 1.423 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 -5.813 -3.040 1.176 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 1.067 6.637 5.847 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 1.001 2.570 2.032 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 11.527 -21.980 5.083 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 -5.630 -17.160 -25.685 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 10.260 -1.336 1.322 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 -28.499 20.366 -12.928 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 17.665 11.319 42.485 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 4.639 0.030 -0.742 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 0.979 -6.379 0.996 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 10.013 1.463 2.587 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 1.064 -3.587 0.886 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 -6.965 -9.827 -13.456 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 9.753 4.120 -18.743 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 1.315 -4.176 7.739 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 4.534 -9.473 4.484 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 9.107 5.712 -1.681 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 5.414 4.344 -1.364 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 -3.653 9.087 20.047 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 11.780 13.755 -1.425 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 -2.974 4.204 2.461 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 7.401 -13.040 -4.242 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 30.929 -3.563 0.535 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 -5.811 3.397 -4.972 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 -5.694 4.642 6.791 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 -6.861 9.885 6.270 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 6.017 -3.450 -2.882 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 -1.565 -4.400 2.087 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 3.386 -1.131 -0.330 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 3.160 0.517 4.145 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 33.138 6.583 12.377 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 -10.379 -11.363 6.618 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 -1.503 -2.632 2.812 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 16.522 -9.939 17.166 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 -3.638 -17.580 7.471 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 -4.411 1.154 6.289 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 -17.624 10.576 6.167 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 -11.341 -12.866 9.961 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 1.434 6.413 7.456 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 14.044 12.092 2.558 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 -7.824 -0.145 12.518 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 -3.313 -0.296 8.216 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 -9.727 10.754 -8.558 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 -1.522 11.941 18.554 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 4.676 0.244 7.224 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 2.721 5.374 8.182 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 -1.380 -5.542 10.670 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 -2.454 -6.033 -3.812 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 -2.928 7.186 -6.502 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 7.079 -5.483 5.618 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 -1.800 -2.810 -3.547 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 12.486 -4.631 -5.840 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 -7.520 4.071 -7.350 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 -3.272 -3.048 -1.765 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 3.360 -6.421 -5.559 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 -10.266 -2.894 -0.482 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 0.647 7.755 -1.474 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 6.889 13.954 -32.374 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 -6.413 21.740 -2.061 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 1.544 -0.081 1.293 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 -1.540 -5.957 20.894 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 -7.609 -12.907 -11.070 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 -6.584 -2.074 -2.087 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 8.480 -7.472 -11.406 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 -12.613 -0.637 -3.706 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 4.030 2.610 3.627 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 12.829 0.962 5.339 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 -9.332 5.656 1.309 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 -8.614 2.567 3.327 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 7.705 7.638 2.644 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 -26.975 3.131 6.815 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 -5.274 -8.594 -8.723 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 5.032 5.013 -30.764 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 15.920 -8.176 9.762 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 -1.541 -7.538 -3.033 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 0.163 -4.323 4.840 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 -3.129 -9.400 -6.585 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 2.427 4.836 -7.879 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 -10.153 -3.236 8.096 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 3.191 -8.496 -19.174 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 -0.180 3.625 4.420 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 20.323 17.447 10.394 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 -6.460 11.561 4.268 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 -6.365 2.256 0.050 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 -3.361 4.588 -8.549 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 -6.535 3.034 -0.330 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 -7.574 -2.345 -3.043 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 -22.196 -2.029 18.803 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 -5.944 -11.462 -4.789 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 -2.755 -6.013 0.271 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 -2.410 0.945 -3.786 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 -1.748 -8.194 3.210 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 -0.845 1.748 -2.152 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 3.751 9.558 -12.438 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 -4.612 0.026 3.169 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 4.889 -6.554 3.533 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 8.685 -5.986 -0.730 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 10.149 1.674 10.910 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 2.482 4.289 -2.779 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 17.863 -12.687 15.518 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 -5.706 -12.253 -17.557 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 -3.327 0.849 -5.811 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 -5.315 6.934 -12.762 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 18.853 -6.244 9.772 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 6.700 2.147 4.559 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 6.345 -0.082 -1.467 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 6.405 0.952 2.566 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 0.796 -3.465 2.782 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 -0.081 -1.123 -10.565 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 -2.875 0.424 20.223 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 -0.820 -7.236 -5.038 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 28.585 -29.777 11.300 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 -2.629 17.538 -7.727 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 3.725 2.771 -8.148 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 -7.523 -9.781 12.437 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 0.241 27.263 -4.124 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 3.263 6.302 -1.062 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 -6.690 -5.490 -0.859 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 -8.450 0.238 -9.947 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 0.678 -2.600 1.076 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 -1.433 -8.868 -8.849 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 6.257 7.428 11.317 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 -4.118 7.074 -1.574 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 -11.461 9.899 -24.557 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 8.465 -4.931 0.481 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 -0.198 1.571 12.676 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 -22.529 -0.005 22.680 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 -6.318 -5.123 7.045 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 7.975 -1.343 -5.371 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 0.578 5.244 -13.108 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 -27.986 5.740 36.145 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 3.772 1.295 -3.825 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 5.032 -16.263 -1.103 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 -10.698 11.507 -0.746 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 -1.381 0.559 0.392 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 -4.353 0.994 -5.508 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 4.190 -7.162 -7.109 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 -0.971 0.412 2.830 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 5.801 15.501 16.269 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 -16.137 -4.409 14.252 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 -2.630 4.230 0.727 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 1.885 -2.391 -15.026 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 -4.468 9.869 8.044 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 -4.863 -5.540 3.068 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 -5.221 -6.709 1.663 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 -10.610 -19.612 -7.304 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 2.313 -3.052 3.382 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 -0.237 3.336 1.933 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 -24.713 -11.305 -9.514 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 -3.658 -7.128 1.283 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 5.999 0.320 2.798 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 -9.216 -5.792 30.720 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 0.107 -3.040 3.190 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 17.169 8.908 3.193 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 -26.605 -14.517 -9.401 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 0.149 -4.068 -2.053 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 -15.044 17.118 14.960 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 14.406 -14.086 -14.531 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 -3.067 1.379 0.589 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 9.062 4.295 -14.611 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 -17.199 2.708 -8.552 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 14.278 2.145 4.406 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 12.880 -26.538 -4.626 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 24.713 -12.898 16.036 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 0.263 1.072 2.338 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 -4.864 9.114 10.171 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 -3.435 -2.150 -7.114 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 0.470 3.152 1.508 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 -7.527 3.569 -1.954 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 17.887 6.159 -11.146 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 -0.374 3.970 -6.281 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 -3.633 7.037 3.192 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 4.062 11.281 -16.429 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 -1.344 0.579 -6.071 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 28.909 9.988 -46.713 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 9.423 1.967 -18.244 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 -0.197 4.072 5.169 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 -7.644 14.381 4.283 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 4.479 5.103 -0.890 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 -1.565 11.609 2.079 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 -24.129 -18.820 -1.829 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 -2.057 9.929 8.612 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 -2.220 7.442 -5.978 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 5.375 14.354 -3.685 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 -9.142 22.347 -3.783 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 -1.929 -7.049 2.645 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 2.319 9.852 -5.137 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 21.372 -14.405 -2.179 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 3.682 -4.715 7.771 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 -13.043 -6.830 4.482 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 -29.321 -9.686 1.022 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 -3.414 4.619 -3.893 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 -3.131 5.741 3.072 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 8.821 -9.067 -2.452 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 -1.978 1.662 1.071 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 13.594 7.553 8.728 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 -7.787 1.750 1.183 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 -0.843 -0.527 1.624 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 0.434 2.306 -14.935 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 5.370 -15.464 10.177 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 2.203 -3.731 4.922 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 -7.998 -13.365 -3.362 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 5.486 -3.387 4.813 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 1.235 6.688 8.192 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 6.452 -17.449 -13.252 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 19.805 -7.017 10.300 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 8.970 10.180 -1.351 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 6.455 5.399 -31.483 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 9.065 -5.465 9.240 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 5.083 3.347 7.120 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 11.059 -8.813 1.010 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 12.520 9.302 3.929 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 -5.529 1.393 1.433 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 19.001 -23.178 -10.213 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 -5.830 -16.560 -0.189 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 0.052 -6.371 6.601 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 -0.644 -9.733 7.708 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 1.250 45.362 1.454 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 4.733 -5.013 3.684 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 -16.334 -4.870 -10.548 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 9.562 -15.729 22.045 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 -1.611 3.001 -2.069 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 8.412 -5.935 12.174 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 -8.931 8.841 -14.061 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 -5.734 -1.976 -4.893 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 -2.023 0.548 -11.981 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 -13.337 1.666 -4.980 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 6.575 7.759 5.587 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 5.374 6.562 9.337 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 -21.084 6.884 0.207 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 3.585 -2.108 2.360 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 -2.738 5.861 -16.667 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 0.681 11.319 -22.703 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 1.476 -0.805 9.552 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 8.970 -4.181 2.248 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 -4.528 0.913 9.542 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 -2.699 -2.275 -2.034 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 -22.693 -12.639 11.221 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 15.868 1.768 6.160 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 5.229 0.361 -3.152 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 17.518 -16.477 1.971 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 25.294 21.149 11.243 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 -6.213 -0.751 5.644 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 -6.815 1.035 0.963 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 -5.358 11.908 18.092 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 2.299 1.929 -3.024 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 2.500 12.785 -2.290 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 6.348 7.983 -18.666 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 -1.360 8.051 1.676 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 -18.335 15.006 8.614 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 4.836 -2.610 14.705 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 -7.509 -0.341 1.571 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 -9.407 1.343 -2.208 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 -12.284 16.141 7.222 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 -2.858 -1.242 2.539 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 0.221 -5.660 9.056 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 -10.171 -3.913 2.376 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 -5.082 1.008 0.923 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 -17.593 21.402 7.510 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 -16.336 -1.451 -21.521 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 -8.174 2.942 7.025 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 -11.763 -0.964 10.769 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 -5.901 0.072 2.523 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 -0.564 1.960 1.485 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 -3.838 2.354 6.362 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 -9.106 1.118 6.164 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 4.551 0.839 2.145 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 15.900 -7.307 3.226 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 11.288 15.238 -2.399 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 -6.279 0.453 -5.908 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 6.026 19.839 -16.717 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 -0.577 -15.827 -20.681 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 1.316 1.864 4.524 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 7.667 6.939 11.894 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 19.587 -0.605 6.894 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 1.544 -4.480 -2.172 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 -12.300 11.103 -16.106 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 31.652 18.809 25.068 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 5.801 0.011 -4.332 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 17.228 -12.618 -4.882 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 16.755 12.749 -7.488 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 2.526 0.103 0.015 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 18.118 2.172 5.757 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 0.327 10.545 -10.253 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 1.192 7.928 5.495 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 12.713 0.556 -15.386 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 -13.742 8.239 13.889 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 3.223 0.956 2.591 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 12.549 7.932 14.701 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 -22.531 -15.192 -24.114 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 -1.985 -2.866 -0.029 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 26.094 24.799 -7.247 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 -25.427 -5.946 3.058 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 5.406 0.590 -0.423 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 26.802 21.832 12.191 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 -6.918 12.908 -6.973 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 -2.862 2.977 3.332 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 -0.096 3.750 -0.773 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 1.459 1.826 0.042 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 5.561 -5.716 -1.545 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 -0.710 1.679 7.525 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 -1.404 0.598 11.457 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 4.493 -7.434 -1.556 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 16.461 4.711 3.113 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 -13.793 18.971 -10.563 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 -6.128 1.874 0.012 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 10.031 -0.335 -8.381 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 -11.237 1.989 0.788 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 2.839 7.634 -5.206 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 6.561 -5.524 -45.352 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 7.327 -7.839 -2.415 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 -2.482 1.750 -7.830 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 -2.533 -22.112 -0.605 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 -7.094 10.628 17.648 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 4.220 1.309 -5.104 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 3.922 10.950 -7.059 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 19.886 -7.452 9.033 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 -1.953 1.086 -3.912 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 13.130 -15.401 8.204 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 -13.629 14.587 12.711 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 -3.557 5.437 -4.537 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 -12.879 6.463 23.197 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 15.298 -26.159 -10.307 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 -0.314 -1.784 4.155 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 -13.143 4.299 4.645 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 14.355 3.237 -7.778 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 -3.289 7.502 -2.825 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 -24.344 -7.270 -16.732 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 5.176 11.711 6.185 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 -3.463 -0.144 6.241 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 -3.555 7.191 -4.244 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 -22.470 7.596 -11.608 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 -5.628 -1.322 -0.259 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 -4.667 6.860 -21.404 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 -17.981 -5.930 0.229 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 -1.785 7.578 2.484 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 -13.782 -12.497 18.349 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 19.968 1.396 7.691 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 -5.049 1.795 6.599 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 7.759 4.821 9.914 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 15.561 23.083 16.238 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 2.474 -1.704 -4.634 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 13.501 -27.442 2.987 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 -8.994 6.362 -21.966 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 -2.849 -3.716 7.373 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 4.755 -22.908 9.162 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 3.442 8.139 -8.668 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 -7.610 2.212 -0.342 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 3.852 -2.966 -7.955 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 -18.517 2.394 -3.328 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 0.018 -0.865 2.088 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 -1.357 4.775 7.052 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 -4.694 -5.701 3.308 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 1.911 -1.578 4.192 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 0.690 -7.136 6.373 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 12.061 21.087 -3.022 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 2.523 -7.421 1.336 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 6.078 -9.021 1.698 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 -0.420 -5.378 0.537 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 0.093 7.001 6.588 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 8.392 6.812 11.834 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 17.215 7.989 2.630 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 -1.963 5.712 5.900 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 -0.072 -1.209 17.220 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 -13.889 24.578 -12.553 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 2.624 -2.914 0.530 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 15.709 0.064 -4.443 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 1.139 7.886 11.255 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 4.984 1.430 -3.643 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 0.816 18.057 5.077 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 -1.484 24.398 1.203 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 -4.635 -1.060 -1.224 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 -2.287 -3.878 -16.774 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 -18.828 -10.320 2.527 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 -0.046 1.585 -1.333 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 -13.851 10.794 -10.516 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 -5.660 8.198 8.170 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 7.692 4.542 6.020 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 14.619 -21.346 -12.332 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 11.509 2.744 10.209 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 -0.756 -7.819 1.151 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 -3.791 9.933 -13.646 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 -6.183 -3.574 3.802 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 2.323 -4.638 0.631 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 6.050 13.406 8.769 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 2.903 5.676 15.839 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 1.545 -9.076 -2.929 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 -9.229 -12.873 0.282 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 -2.727 -16.700 -5.206 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 2.671 -1.421 1.785 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 16.283 3.071 -3.251 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 8.948 -9.208 8.075 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 -1.027 -0.079 -1.099 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 -10.018 -6.192 -15.741 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 -9.574 19.583 5.141 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 1.644 0.176 5.377 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 -2.246 4.209 6.462 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 11.503 -6.497 -0.978 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 2.712 0.717 1.018 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 33.523 -4.779 17.520 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 -16.414 -29.014 5.994 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 5.294 -1.773 -3.885 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 0.977 -4.628 -23.721 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 6.121 -29.005 23.296 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 -2.665 9.233 5.776 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 1.850 5.103 -1.358 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 -10.059 8.068 16.206 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 1.915 2.200 2.557 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 9.614 -7.387 -3.390 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 -0.393 4.621 14.823 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 -2.988 -1.415 -8.282 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 4.814 -2.656 -15.570 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 -14.410 -6.663 1.196 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 8.601 1.212 -4.064 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 9.171 -0.964 -5.391 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 6.879 -8.786 -7.557 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 1.203 -5.784 1.975 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 -0.749 -1.874 9.435 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 -5.630 -9.057 -21.803 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 3.015 1.578 -1.565 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 -12.289 4.702 33.640 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 5.511 -7.173 -11.645 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 -2.421 -1.256 -1.779 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 -13.530 7.840 -0.944 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 -0.226 -4.929 -2.662 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 -0.099 -5.493 -1.019 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 6.034 4.123 18.569 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 -5.149 11.744 -5.712 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 0.635 -7.319 -0.666 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 -8.679 -6.755 -2.845 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 5.292 1.207 -4.444 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 2.875 -1.042 1.999 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 5.574 1.361 5.040 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 5.358 -14.111 9.029 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 3.069 -1.478 -2.006 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 -26.009 -13.456 9.484 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 3.126 9.632 21.420 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 2.357 -1.924 -0.474 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 3.436 6.601 11.589 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 14.129 10.641 -4.344 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 1.381 -2.005 3.991 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 -11.177 2.203 -15.813 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 15.974 -13.528 -1.342 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 -8.461 3.968 -3.280 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 1.669 4.606 -2.658 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 -9.538 4.384 3.429 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 -3.394 -6.833 -2.859 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 1.063 -2.203 -3.693 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 -7.518 -5.700 -6.745 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 5.620 0.649 0.835 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 -8.611 -15.982 5.359 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 18.454 0.276 14.468 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 1.108 1.547 -4.827 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 27.149 -5.767 0.199 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 -11.609 -23.348 6.767 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 -2.009 5.951 -0.060 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 -13.723 27.118 -11.758 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 15.495 3.531 -2.970 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 -1.372 2.827 -1.995 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 -16.756 -5.467 -12.760 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 3.059 6.224 1.165 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 1.544 -3.009 1.107 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 14.025 3.559 11.677 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 33.978 5.046 14.304 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 2.188 -4.753 -5.541 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 2.870 -0.858 3.156 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 -21.054 -5.527 -5.606 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 0.898 8.475 6.604 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 -1.975 2.887 -5.473 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 25.601 -0.212 17.890 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 1.482 -4.596 0.055 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 15.927 14.090 -1.138 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 -14.267 -11.036 3.962 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 6.557 -7.962 -3.391 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 2.224 -2.462 -6.075 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 9.062 -5.362 0.401 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 1.215 -1.971 2.401 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 -1.519 -4.349 9.601 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 -1.765 -1.253 1.168 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 -1.953 -1.999 1.236 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 4.932 5.712 -7.938 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 7.295 -8.645 7.464 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 1.074 -2.064 3.847 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 5.804 0.822 -1.986 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 -9.548 -3.610 1.767 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 -8.813 -2.644 5.691 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 -16.276 1.904 1.763 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 -5.830 -4.358 12.526 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 0.646 4.613 1.623 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 22.558 7.697 0.882 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 24.326 4.502 -13.582 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 -1.655 3.502 -1.493 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 -18.531 -12.378 7.473 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 -9.386 3.332 1.450 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 -4.635 -1.833 0.740 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 -12.543 -21.275 -10.615 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 20.850 -9.817 6.942 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 -4.687 5.413 -1.639 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 0.586 -16.164 -14.051 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 -3.798 10.801 -0.588 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 -5.428 1.325 1.866 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 -4.081 18.959 -19.597 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 -6.358 -7.506 10.293 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 -4.611 -0.377 1.363 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 -18.137 4.000 2.433 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 -4.698 -17.638 -7.779 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 0.196 -1.919 4.037 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 0.216 -26.955 -7.183 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 6.123 -8.530 1.027 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 5.888 1.472 -3.990 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 3.895 -41.523 18.642 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 0.566 9.933 -2.497 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 0.577 -1.974 7.529 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 4.911 -8.076 -15.131 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 -4.480 21.157 5.705 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 0.870 1.208 0.264 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 13.475 9.490 5.959 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 1.688 -13.709 6.142 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 -0.003 -5.048 -5.134 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 -1.775 -5.160 4.357 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 -2.435 -4.448 -2.243 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 -3.063 2.957 8.546 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 8.872 9.930 33.285 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 11.177 -20.025 -0.252 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 0.222 -0.437 -0.654 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 -0.108 0.176 -3.852 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 -3.856 0.224 -5.817 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 -5.207 5.088 -4.324 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 -18.892 3.794 -2.125 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 -10.149 9.821 -0.837 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 -3.075 -0.865 9.102 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 21.533 -9.828 23.704 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 -2.796 -10.098 -10.911 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 2.112 1.915 1.252 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 3.855 -6.265 4.947 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 -8.925 8.963 -5.287 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 -0.917 7.865 -1.653 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 9.846 5.265 22.261 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 -20.328 7.661 7.218 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 2.546 -1.159 1.035 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 -10.962 -7.781 15.299 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 -9.898 3.747 -16.241 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 3.650 -3.315 -4.382 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 7.798 3.485 0.546 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 -7.029 0.215 -10.645 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 -3.197 -1.521 -5.067 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 -8.578 -23.198 -0.059 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 -19.631 -23.855 -0.078 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 -0.512 4.771 3.615 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 24.058 16.543 14.072 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 -20.066 -1.809 -7.752 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 -7.515 4.226 -1.246 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 0.520 4.579 -5.512 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 -26.403 14.297 -4.206 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 3.404 2.431 3.771 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 1.614 -7.793 18.416 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 7.403 7.430 -3.029 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 -0.429 6.969 0.009 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 11.546 1.080 10.477 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 11.073 8.985 12.847 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 -5.233 2.642 5.877 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 4.313 -7.083 -2.375 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 7.022 -26.633 20.027 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 -1.404 -0.371 6.157 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 -10.039 17.252 -8.981 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 8.019 -20.923 9.297 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 4.217 -0.658 0.004 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 -3.911 14.565 3.746 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 -0.960 -5.928 -3.743 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 -8.182 -4.505 5.692 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 -8.414 -6.736 4.799 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 -9.695 -4.016 -4.466 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 -0.528 0.230 1.167 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 -7.937 -8.564 10.463 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 -18.197 4.071 5.325 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 -5.506 0.265 -1.113 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 -13.392 27.205 -6.964 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 13.397 1.519 2.903 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 7.322 -1.391 -1.661 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 3.036 -6.060 2.440 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 12.367 4.432 -7.926 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 -1.843 4.495 -0.409 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 -3.229 2.799 0.777 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 -0.885 19.309 8.602 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 0.399 3.154 7.770 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 -10.421 -8.714 8.892 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 4.199 1.573 5.353 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 -5.160 3.098 3.496 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 -8.841 5.322 -1.380 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 -21.138 3.050 4.554 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 -7.635 6.189 4.994 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 -1.984 5.434 4.586 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 -11.129 7.437 6.660 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 -0.191 -11.154 -1.806 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 20.272 -16.983 -22.327 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 -18.498 -10.152 -17.642 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 3.300 -3.095 -5.190 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 17.468 5.657 16.097 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 -22.378 4.928 0.451 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 10.555 4.226 -8.247 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 -3.263 -1.237 8.017 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 19.436 31.623 3.352 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 5.876 0.875 3.190 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 -2.721 11.880 8.087 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 -6.343 9.413 -1.815 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 -0.915 1.240 5.393 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 29.318 -2.533 16.773 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 23.104 1.410 11.033 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 -2.428 0.631 3.087 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 -18.951 -28.968 20.477 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 -1.326 -9.297 -27.951 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 -0.899 -2.601 1.662 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 -21.508 5.058 -7.552 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 2.795 -19.301 10.207 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 1.867 4.147 -1.335 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 -0.872 1.778 6.555 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 -1.900 -7.808 -4.198 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 3.854 5.522 -2.592 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 19.361 -7.552 5.703 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 25.262 -6.036 22.216 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 2.848 3.764 1.580 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 -4.907 4.770 2.387 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 17.709 6.535 -0.204 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 -3.086 2.816 -4.686 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 -12.228 1.307 -20.239 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 -1.181 10.557 14.800 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 0.178 5.862 -4.773 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 -1.248 11.906 -31.618 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 1.829 10.953 11.364 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 1.474 -9.085 -1.507 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 -10.972 -14.442 -23.294 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 2.715 -6.720 -29.300 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 -1.299 6.407 -2.097 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 1.315 9.409 10.042 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 7.779 -2.446 -5.395 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 2.698 -1.972 -4.526 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 16.098 -8.794 19.453 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 -7.534 0.397 29.850 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 1.858 -2.143 -4.428 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 -4.832 -5.058 -3.362 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 1.545 -8.239 -6.402 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 1.802 -5.923 -2.436 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 1.430 -7.357 -3.842 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 -3.331 0.200 -5.632 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 4.797 -6.899 3.912 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 7.755 -6.999 7.247 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 1.157 -9.109 8.516 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 5.088 -1.524 -3.292 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 -3.130 -1.586 8.829 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 12.792 9.926 -6.680 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 -4.091 -4.263 -1.599 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 -8.196 -13.743 -8.343 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 -6.813 -9.255 -4.769 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 7.183 -0.310 1.989 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 19.975 6.367 24.224 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 -13.709 -11.187 3.032 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 6.199 2.238 -0.729 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 -8.221 13.929 -17.395 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 -1.385 1.917 15.611 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 0.115 -1.147 -2.149 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 -3.802 10.824 8.531 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 5.910 12.122 -9.814 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 -2.497 -2.691 3.513 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 -28.802 29.647 -4.852 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 0.168 -18.951 15.183 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 3.557 -1.053 4.906 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 2.486 13.196 -28.807 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 -26.464 18.579 -19.329 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 1.166 -1.523 1.725 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 15.559 -14.538 8.687 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 12.920 -6.639 -26.424 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 1.473 -1.329 -1.453 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 14.469 -19.903 31.249 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 1.799 1.070 17.658 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 2.147 2.205 3.089 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 -1.348 7.597 15.400 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 13.794 -8.607 -29.743 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 0.944 -3.110 -3.369 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 22.153 2.894 -9.889 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 -10.318 -13.011 -2.204 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 3.234 -1.224 -8.340 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 -14.761 -22.829 -35.799 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 10.558 -32.496 2.887 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 -3.031 5.514 8.520 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 -8.591 -12.693 -6.032 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 -30.337 20.814 -18.144 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 -9.164 0.425 0.132 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 -11.595 1.503 -1.151 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 26.276 4.539 14.582 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 -6.325 2.076 0.136 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 0.554 -3.745 0.071 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 -2.038 14.417 -2.761 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 7.689 12.042 0.661 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 8.941 -18.976 -21.606 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 10.779 9.034 0.607 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 2.659 -1.002 -2.346 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 8.390 7.452 8.230 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 -7.434 -39.531 -8.574 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 -4.013 4.288 -1.134 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 16.577 27.207 13.825 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 0.579 3.832 4.339 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 -3.532 -5.616 -2.220 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 0.622 -9.259 -9.404 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 4.277 -11.335 -6.040 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 -5.696 0.851 5.349 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 -2.408 -6.753 5.150 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 -6.542 12.809 18.631 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 -0.631 -3.473 -7.598 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 -7.313 -14.100 -14.010 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 6.392 10.072 -7.519 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 2.370 -1.981 -6.595 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 -10.687 -14.229 -12.909 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 -6.166 13.858 5.498 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 2.090 4.543 -1.884 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 -10.365 7.621 -9.144 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 33.273 5.541 51.026 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 -1.271 1.675 -0.639 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 -4.818 8.538 -10.000 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 13.040 16.050 14.007 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 3.099 1.295 0.143 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 3.665 9.055 12.450 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 -2.773 -7.639 1.715 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 -3.084 -8.126 -3.759 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 -3.659 -7.995 -3.076 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 -3.976 -9.240 -1.241 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 -0.158 -10.252 -1.959 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 11.112 -7.255 -9.676 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 3.666 1.577 16.792 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 2.965 0.982 2.504 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 7.907 2.284 -3.190 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 -1.058 1.164 1.811 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 -0.069 -5.981 0.779 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 3.827 -1.353 3.561 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 10.181 2.898 8.376 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 -1.485 -3.028 3.891 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 -12.360 -14.262 7.493 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 -6.779 -7.669 5.171 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 1.481 -8.723 0.116 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 1.278 -5.083 -0.966 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 18.441 7.227 2.339 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 6.495 -7.809 1.315 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 2.359 -9.852 1.031 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 12.085 -4.199 1.093 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 12.408 -2.902 3.158 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 -0.373 -15.363 -5.482 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 16.181 28.568 7.741 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 5.703 3.287 3.063 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 7.124 0.032 -0.935 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 7.316 9.311 -3.999 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 -1.870 -3.855 -1.536 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 15.825 -7.700 -1.754 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 -7.230 0.669 -0.457 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 -7.358 -7.083 2.255 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 -27.037 -15.986 9.987 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 -31.007 -17.372 11.698 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 -0.956 0.013 -0.862 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 -5.063 6.447 -17.004 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 12.842 13.176 3.836 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 -5.616 -2.641 7.555 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 -11.303 -5.746 11.997 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 -5.187 -2.942 11.424 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 -2.558 -3.185 0.491 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 -0.516 12.662 -1.935 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 -9.679 -9.054 -13.273 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 2.108 -3.494 5.602 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 -0.567 -4.984 4.113 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 4.715 -4.376 5.076 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 0.068 5.632 -2.130 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 10.607 -4.781 -4.125 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 3.734 7.412 -0.561 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 2.074 10.431 -0.086 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 -21.999 19.476 -7.695 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 15.681 5.102 4.491 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 -3.751 -2.597 6.283 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 1.716 6.338 3.764 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 -13.808 6.294 11.209 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 1.361 2.717 -2.275 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 -4.024 10.566 11.586 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 -10.151 -12.991 -6.149 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 -1.909 -0.524 0.317 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 -18.763 11.038 5.761 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 4.531 2.830 8.297 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 8.087 -1.813 0.956 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 5.679 -4.024 2.488 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 4.954 -4.599 -4.555 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 -4.697 -0.824 1.753 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 7.091 -10.912 11.988 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 -5.705 3.203 -22.596 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 0.266 -2.005 -6.848 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 29.587 -21.474 -1.427 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 -18.656 -8.539 20.571 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 -2.272 2.046 1.262 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 -7.903 -2.966 -17.423 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 14.808 11.126 -3.700 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 5.869 -2.622 -1.608 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 4.352 1.999 7.378 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 9.684 -6.547 -16.071 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 2.538 -2.270 1.724 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 11.735 12.621 3.342 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 -2.583 -4.564 -13.520 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 -0.115 1.421 -5.803 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 -14.561 5.834 13.142 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 7.293 9.589 11.777 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 6.527 2.401 5.107 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 5.223 -9.289 -11.855 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 -21.116 6.536 6.691 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 2.980 -0.744 3.932 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 -11.025 -0.989 5.285 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 -6.636 14.971 -14.575 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 3.979 -0.293 -3.549 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 -9.418 2.869 1.547 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 8.443 -2.470 -3.549 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 2.421 1.030 -2.383 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 -28.547 -5.919 21.025 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 23.389 16.260 11.580 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 6.162 1.375 -1.307 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 1.264 7.687 -2.418 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 7.587 1.648 -1.375 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 4.625 5.906 -8.884 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 -13.836 -2.494 -30.920 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 -5.735 1.118 11.838 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 -9.505 -0.646 2.689 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 -2.073 2.567 -0.435 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 10.990 9.822 -5.139 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 2.900 1.336 -1.706 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 -2.576 -10.362 -3.725 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 16.316 19.467 1.727 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 2.607 1.112 -8.430 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 -2.314 12.422 -2.211 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 -7.619 -14.548 -23.814 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 3.205 3.684 5.117 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 16.344 -1.777 30.845 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 -25.796 -0.122 9.931 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 -7.284 2.546 5.873 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 -6.267 -5.019 3.197 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 1.539 11.666 6.875 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 3.625 -7.832 -5.585 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 0.796 -9.626 -9.775 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 -8.422 9.295 -10.379 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 1.348 -3.266 7.569 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 2.032 9.308 15.604 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 -4.168 0.150 5.953 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 -2.971 2.273 5.100 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 -24.459 -5.951 -4.816 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 -32.046 -8.816 -8.361 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 1.881 3.848 5.399 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 -17.084 -20.298 -11.386 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 -21.257 -16.357 -7.191 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 -5.003 -0.957 1.641 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 -4.949 -30.681 -9.331 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 -14.948 -15.710 22.166 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 -2.897 -7.506 -3.841 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 -6.248 26.477 -13.797 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 3.231 2.977 -13.713 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 3.408 -3.834 6.040 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 26.622 26.308 8.384 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 16.111 1.500 7.978 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 0.896 1.310 -8.301 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 8.890 -15.544 -11.767 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 -0.010 40.241 9.770 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 3.937 3.471 4.135 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 7.668 -8.366 -5.528 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 5.344 2.041 0.619 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 -0.220 2.844 -3.043 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 -0.230 2.434 -2.747 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 -5.185 -8.325 15.745 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 0.258 1.650 2.575 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 0.635 -1.430 9.063 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 -7.329 2.499 1.283 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 0.189 1.611 0.135 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 13.234 29.255 1.905 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 4.968 23.388 6.944 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 -0.198 -0.732 -1.289 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 -6.511 13.946 6.133 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 27.773 5.119 -15.687 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 -5.453 0.311 2.848 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 -7.203 -0.400 14.274 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 -22.412 7.569 2.837 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 -2.119 -0.272 0.012 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 -13.330 -2.909 3.212 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 3.981 -1.326 4.671 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 -2.949 -3.318 0.725 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 -15.426 -15.120 -24.409 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 -2.376 -7.799 2.207 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 -3.684 -0.021 0.998 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 6.433 -11.604 14.794 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 12.474 -40.605 34.828 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 -0.409 -3.445 5.774 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 -19.896 -3.770 7.358 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 10.554 13.761 8.512 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 7.511 -5.858 0.378 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 6.784 -23.866 16.373 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 13.951 0.267 -1.481 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 -2.286 5.410 5.680 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 -25.858 4.331 -8.304 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 -0.185 10.092 10.880 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 -2.592 2.765 -7.370 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 -8.579 15.948 0.335 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 13.257 1.310 -2.006 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 0.156 1.744 -2.386 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 -15.254 21.032 0.438 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 1.695 -5.401 6.928 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 8.264 -5.423 -4.420 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 -7.185 19.910 0.858 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 4.006 -2.102 1.320 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 -2.405 0.860 -5.590 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 12.185 -1.781 3.790 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 -3.077 13.485 2.417 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 0.953 6.364 -1.796 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 11.987 18.112 36.535 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 -5.956 17.491 -21.415 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 0.404 -0.998 -1.169 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 6.899 -15.463 -4.805 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 -20.151 9.549 7.863 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 -2.515 -2.440 2.981 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 -1.367 -1.803 2.586 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 -2.153 -3.891 1.730 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 7.135 -0.651 2.354 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 0.310 -16.638 -8.091 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 -9.929 21.022 4.502 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 2.216 -3.030 -3.665 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 -5.701 -2.091 0.690 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 3.936 2.272 -9.677 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 -1.718 -2.279 -2.424 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 8.151 0.907 10.644 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 12.896 15.905 19.530 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 -3.885 7.839 -0.743 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 -11.759 8.971 -5.955 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 -14.554 3.429 5.365 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 -1.518 3.449 3.990 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 -8.274 7.661 2.159 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 -14.634 -3.491 -3.178 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 -2.656 -4.336 0.350 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 1.201 -3.845 -30.869 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 -0.893 3.318 3.442 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 -1.150 -0.583 -0.312 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 12.902 -2.610 -6.776 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 -7.139 -5.790 6.446 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 -2.922 -3.861 -1.797 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 -1.070 -4.343 -2.825 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 -9.391 -7.632 15.726 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 0.588 -0.237 0.270 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 0.340 0.512 -4.272 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 3.956 4.340 8.093 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 7.581 4.880 3.630 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 10.904 -20.149 -30.804 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 27.011 0.160 -48.492 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 -5.718 -1.989 -0.718 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 -14.554 9.283 7.678 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 9.814 4.971 4.576 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 -0.947 -2.474 -2.300 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 8.840 -6.691 -2.485 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 19.516 -10.540 -3.679 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 -1.408 -5.071 1.033 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 0.796 4.240 20.058 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 2.460 -45.472 -6.574 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 5.366 2.068 0.564 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 -0.822 23.090 -9.617 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 -16.814 2.601 -18.829 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 -6.694 -2.441 4.628 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 15.680 22.322 -4.910 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 -8.669 -0.363 3.383 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 -8.793 3.744 0.784 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 -10.017 5.376 10.690 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 -11.728 6.159 21.541 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 -3.749 2.986 0.562 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 -5.174 -1.812 28.233 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 -5.562 -1.042 12.010 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 1.249 -0.891 1.039 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 22.620 -21.078 -33.565 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 29.597 -17.448 27.299 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 -1.500 -1.181 3.478 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 6.144 -5.023 -7.911 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 13.702 -2.298 6.739 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 -1.120 0.797 -4.142 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 -9.718 4.086 -21.982 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 -2.091 -7.263 -0.114 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 1.638 -3.935 -1.588 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 -11.532 -1.783 -13.826 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 -1.979 -3.693 19.751 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 -5.636 1.346 0.649 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 -8.587 2.410 2.326 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 -1.890 2.949 -2.359 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 5.605 -0.768 -4.266 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 -16.029 6.080 18.067 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 6.451 -13.263 -13.269 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 3.269 2.254 2.511 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 8.192 4.893 -11.729 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 -4.488 -11.554 1.316 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 10.020 7.557 -0.086 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 32.656 -9.512 10.445 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 23.338 9.014 -16.045 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 0.577 4.320 4.764 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 -10.552 24.109 20.490 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 10.760 -2.366 0.313 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 -6.073 8.939 3.278 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 -7.880 -0.380 -10.488 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 -18.346 -5.572 3.664 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 4.233 0.823 -1.452 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 -3.428 3.257 -5.848 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 5.149 -1.458 -3.297 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 1.229 0.017 4.532 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 -1.678 -4.191 7.261 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 2.600 -0.820 1.380 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 -0.055 -0.381 -10.502 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 19.574 -8.679 -7.654 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 -10.811 -4.985 12.051 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 -1.975 5.912 -2.429 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 15.888 -10.422 4.254 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 29.103 -26.521 20.032 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 -2.549 5.824 4.355 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 6.142 16.057 -18.967 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 -10.218 5.936 -2.465 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 0.289 5.485 1.269 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 -6.180 23.575 -3.061 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 -31.428 7.877 10.449 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 -3.065 5.318 2.822 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 -15.764 0.900 3.202 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 -4.863 -12.297 -2.056 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 2.503 -2.178 0.324 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 -4.810 -13.337 -0.187 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 7.160 7.834 -0.716 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 0.961 -0.952 5.655 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 2.763 -16.701 19.399 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 -14.344 12.386 3.933 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 -7.808 1.553 1.318 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 2.289 -5.775 3.263 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 8.445 -11.947 4.503 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 -1.501 -1.949 3.366 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 -0.113 -5.432 4.537 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 -5.110 0.284 5.167 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 -8.446 -3.975 7.294 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 -15.157 -32.409 4.053 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 -5.322 13.737 7.371 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 -13.215 4.112 -3.575 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 0.701 3.520 18.464 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 -5.545 0.508 1.709 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 -6.248 -1.377 -6.720 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 8.999 -4.598 -11.233 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 -19.204 3.214 9.780 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 5.397 3.745 -1.625 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 1.223 -3.534 -15.671 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 8.226 -1.290 -5.187 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 -0.873 0.108 -0.613 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 3.506 21.140 -14.014 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 -0.701 -5.386 -4.919 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 0.071 0.209 -2.837 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 -4.951 -2.952 -6.831 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 -1.361 4.458 0.751 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 1.402 0.939 2.463 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 3.695 1.482 9.678 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 12.428 -14.926 2.311 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 -1.069 -4.710 0.355 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 -14.066 4.978 -18.102 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 -11.336 7.206 -5.183 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 1.301 8.452 2.346 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 -0.560 0.956 9.644 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 21.104 9.140 5.181 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 -1.089 -3.466 -3.198 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 11.420 -25.088 -19.123 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 -3.319 -5.556 -4.455 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 -2.425 1.987 0.152 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 -4.157 -18.251 -4.629 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 -10.158 -5.902 -10.838 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 -0.166 -5.656 -1.444 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 10.873 -5.380 -4.980 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 -17.440 -7.490 -1.808 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 -0.082 0.134 3.929 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 -2.142 18.604 11.122 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 13.838 -4.804 14.593 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 5.565 -6.648 -6.405 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 4.333 -29.170 -5.498 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 20.047 0.883 -11.737 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 -3.561 -1.064 -3.355 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 -4.855 8.038 -3.380 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 1.874 -1.653 -11.373 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 2.347 2.062 2.387 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 7.872 1.128 -4.716 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 1.684 3.510 0.116 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 -5.999 -2.480 2.939 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 -9.822 1.383 0.111 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 6.392 -7.344 7.435 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 2.864 -2.426 -0.790 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 -28.952 -1.790 3.514 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 -9.368 -0.690 -2.717 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 -0.258 -3.118 -1.176 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 2.501 -15.520 5.725 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 0.239 -12.073 -5.276 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 4.481 4.268 1.116 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 5.909 15.473 -11.685 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 6.521 3.512 30.721 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 -2.056 -2.821 -2.126 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 -4.906 1.820 5.776 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 -0.227 -8.889 -13.448 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 -2.009 0.071 -1.750 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 16.070 -19.617 9.559 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 -6.904 18.475 2.361 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 -2.824 0.490 3.988 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 -3.529 2.885 0.715 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 -0.089 5.032 10.697 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 2.065 -1.005 4.163 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 -23.152 -1.306 -10.173 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 5.472 -26.591 2.432 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 4.313 0.541 -0.764 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 7.552 2.250 23.544 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 5.268 4.098 -1.966 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 5.390 -5.890 0.278 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 7.960 -4.829 28.705 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 13.449 11.750 8.666 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 1.388 -3.064 0.996 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 -10.895 2.150 -5.526 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 0.169 -5.941 2.072 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 5.309 -3.536 -0.417 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 -7.120 -17.301 3.900 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 -15.588 17.648 -10.120 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 2.978 -6.646 -4.787 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 -9.987 -11.422 20.201 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 2.069 -7.532 -0.924 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 4.081 -4.026 0.127 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 26.017 -20.705 15.247 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 -8.986 -6.505 -7.110 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 3.760 -3.795 0.516 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 13.708 26.020 8.047 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 -19.893 -0.435 -19.899 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 -1.469 -5.662 -3.800 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 19.660 17.418 -9.038 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 1.317 -2.051 -2.784 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 -2.984 -0.548 -0.926 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 -0.888 -20.397 9.419 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 -22.358 7.366 15.407 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 -8.234 9.453 -4.087 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 -3.120 -27.880 0.145 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 -3.783 -8.245 -7.343 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 -11.095 -2.518 5.564 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 -4.135 -13.674 12.790 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 -16.418 5.359 -3.579 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 -2.035 8.170 -1.992 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 -8.100 12.185 14.784 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 -3.397 3.072 26.941 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 1.408 -2.894 -2.725 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 -16.496 -8.634 15.763 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 -4.552 22.216 -3.479 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 4.261 1.203 -1.035 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 -0.958 10.418 -21.320 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 -9.686 5.153 4.322 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 4.147 4.095 1.851 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 -5.654 3.208 5.696 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 10.269 17.480 -13.716 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 3.990 -0.932 -3.681 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 -7.532 -2.199 -6.338 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 20.352 -2.510 1.089 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 2.476 -5.058 3.860 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 13.382 0.423 -3.467 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 -27.838 9.795 9.978 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 -3.746 0.719 -1.072 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 -21.549 0.355 14.970 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 -2.758 3.708 7.431 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 -2.245 3.152 -4.116 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 2.642 5.021 -14.811 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 8.890 0.054 -5.844 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 -2.755 -0.184 -3.424 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 11.477 17.821 3.327 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 5.383 -30.900 0.964 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 -0.875 0.146 -1.975 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 6.681 4.367 -8.087 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 -7.008 9.973 -32.213 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 5.019 -6.831 0.014 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 11.652 1.671 5.290 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 -3.435 -6.057 -0.692 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 2.374 6.332 2.526 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 6.239 -2.144 3.486 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 0.911 10.210 -2.083 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 -5.685 2.393 -3.127 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 2.588 -6.065 18.374 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 9.106 12.463 -13.979 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 -0.652 -1.728 3.443 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 19.730 -3.414 0.154 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 -6.756 -20.210 12.007 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 -1.209 -1.205 -5.275 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 -10.283 19.446 6.052 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 10.591 -24.474 -9.505 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 -5.382 -3.304 -8.220 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 2.825 -7.054 -13.007 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 -10.699 -1.098 -14.218 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 -0.337 -2.610 1.671 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 -20.426 -16.300 5.945 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 29.002 11.832 2.768 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 -0.117 4.003 -3.588 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 -5.029 9.873 8.073 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 -14.831 -13.873 -14.349 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 -8.012 -1.168 -6.061 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 7.153 34.188 -19.657 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 -9.502 -6.387 -3.150 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 -1.269 0.179 1.407 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 -17.691 2.793 -6.441 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 7.381 -3.463 -1.695 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 2.916 -3.338 0.122 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 5.214 1.522 3.926 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 13.365 -22.322 -34.039 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 1.781 -3.529 1.104 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 -0.736 -3.366 5.038 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 1.884 -1.200 10.819 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 -4.827 -2.311 0.801 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 -9.640 2.888 8.231 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 -5.921 7.598 9.274 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 -5.375 4.251 -7.441 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 -1.036 -9.818 -11.409 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 4.080 -4.044 3.395 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 2.562 -1.185 4.140 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 -15.464 -10.133 11.244 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 0.401 -8.673 -15.706 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 8.852 -2.243 6.346 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 9.094 -2.469 4.415 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 -15.868 8.939 3.129 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 -0.458 -3.850 -0.804 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 13.264 -14.470 -19.280 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 5.792 -19.378 -14.085 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 11.335 -1.097 12.607 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 4.988 4.364 9.854 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 15.445 6.756 -0.181 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 4.264 -6.762 -4.059 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 9.703 3.751 -4.641 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 12.159 -2.410 5.763 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 1.053 3.406 -3.017 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 -1.008 5.151 -20.472 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 -19.375 6.934 -6.999 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 0.871 6.213 2.680 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 3.981 -13.070 7.532 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 -1.551 8.067 -14.006 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 -7.296 -2.261 1.308 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 -7.987 2.399 -16.344 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 -15.333 4.724 -5.813 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 1.422 -2.271 -3.302 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 -15.697 -17.705 -16.557 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 -15.398 23.690 3.668 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 -0.119 -5.100 -4.836 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 10.034 -10.030 23.034 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 -4.509 3.030 -12.545 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 6.367 5.522 0.749 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 5.881 46.347 9.166 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 -14.181 -16.032 4.375 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 -4.786 1.305 -0.882 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 -18.726 9.692 8.490 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 -24.691 -8.031 -18.948 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 -3.500 -0.053 1.287 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 0.933 -17.158 -7.344 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 8.268 7.459 22.916 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 -2.577 6.727 2.901 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 9.227 -15.179 36.023 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 27.299 -22.508 8.696 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 -1.290 0.853 -1.793 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 -3.424 1.596 -1.154 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 4.326 18.344 0.456 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 5.187 4.490 1.431 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 1.543 -3.798 -3.123 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 8.251 0.967 24.494 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 -3.211 -1.663 -0.687 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 -3.490 -9.996 4.781 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 5.068 10.281 -10.674 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 -1.833 5.159 9.134 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 -11.838 0.730 0.455 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 25.463 3.374 10.882 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 -3.326 2.691 2.167 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 5.394 -0.682 6.938 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 -1.600 -6.235 -1.987 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 5.572 2.675 6.636 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 18.076 2.450 -20.482 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 11.255 15.898 -14.174 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 -6.346 -3.280 -5.322 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 3.112 -9.105 -19.773 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 1.404 -2.562 -9.545 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 -3.885 4.728 -0.196 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 16.919 -3.143 13.302 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 -4.220 0.766 -1.752 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 1.979 -4.367 4.537 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 0.654 -15.523 18.644 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 6.238 -1.461 -7.007 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 -1.269 -0.544 1.184 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 -3.779 -2.185 5.796 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 2.363 -1.821 -23.776 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 0.473 -2.338 5.940 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 -10.928 -10.113 17.833 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 13.080 -23.549 9.275 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 5.552 -4.725 -6.504 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 4.738 -4.953 -21.910 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 18.812 -2.008 -0.209 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 -3.159 3.010 -1.093 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 2.880 -12.736 27.445 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 -31.867 6.026 12.653 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 -5.442 1.044 -4.793 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 0.440 -3.481 -0.529 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 -6.905 15.065 -5.996 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 -2.147 -1.779 -4.712 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 2.642 -20.729 6.858 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 -0.954 14.789 -21.641 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 -4.639 1.167 -1.116 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 -1.554 -3.272 -8.543 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 15.410 25.765 13.632 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 2.500 -0.930 6.317 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 6.461 -8.535 -16.798 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 14.488 20.751 8.309 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 -1.214 2.768 -0.397 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 -4.532 35.201 4.529 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 -5.544 -5.933 3.757 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 -2.121 0.840 -2.282 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 -28.197 -2.214 -3.929 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 9.315 8.812 3.058 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 -2.363 -1.415 0.446 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 16.085 3.083 -11.963 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 4.656 3.445 12.889 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 -0.386 -0.372 1.683 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 3.905 -8.628 5.939 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 20.307 -16.098 22.657 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 2.297 -3.513 -5.568 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 14.217 -9.607 -6.347 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 2.776 -7.930 -2.547 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 0.455 3.702 1.251 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 15.617 8.107 -2.157 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 15.921 0.369 -1.880 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 2.861 -1.920 -6.625 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 1.977 -12.135 -12.610 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 -1.698 -0.273 -10.668 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 -0.989 -3.730 -1.501 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 10.228 -4.987 -6.857 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 -13.382 2.823 -17.202 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 0.114 6.596 -0.368 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 7.512 19.447 15.158 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 -2.127 10.539 10.562 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 1.254 3.779 -7.971 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 6.413 -3.075 -3.663 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 2.837 4.477 -2.927 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 -10.686 -4.839 -0.909 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 -2.152 -6.338 -15.792 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 4.425 21.784 -6.887 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 -2.722 -4.370 -3.367 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 -35.043 0.807 -10.371 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 4.644 -13.220 -20.747 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 6.559 -1.964 2.060 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 -0.281 -1.664 2.773 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 9.817 -1.375 5.371 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 4.045 3.141 -3.402 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 15.928 1.617 -18.759 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 5.312 1.978 1.379 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 -2.354 5.905 -3.390 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 3.046 4.161 -4.222 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 -4.181 5.852 11.855 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 1.367 3.519 4.039 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 1.282 4.375 3.256 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 -11.266 -5.681 -10.776 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 3.720 -0.418 -4.810 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 0.250 10.135 3.450 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 2.038 -6.391 -10.042 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 11.174 7.050 4.061 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 11.611 2.546 11.568 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 19.687 9.049 1.902 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 -4.051 4.940 3.121 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 -9.931 8.137 -3.684 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 -13.567 3.022 6.833 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 2.971 4.176 -2.698 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 5.343 6.327 -2.313 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 6.076 3.959 3.475 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 -3.264 6.389 3.428 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 -9.221 15.737 3.991 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 0.295 -0.637 23.280 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 -1.914 5.604 -4.030 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 5.300 13.115 1.043 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 -11.391 12.602 -2.219 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 -3.158 -4.335 3.132 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 3.148 -7.771 -15.704 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 2.004 -5.672 -10.896 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 -3.836 -4.573 -0.396 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 -5.029 -9.696 -0.246 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 -1.423 1.537 -3.333 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 -0.985 -0.049 3.535 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 0.308 -2.915 5.187 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 -7.161 6.834 0.683 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 -4.232 -2.556 -9.998 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 14.864 -4.322 -4.692 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 -13.631 -19.310 -12.607 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 0.297 0.203 4.050 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 4.541 2.073 0.528 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 -5.889 -3.640 12.009 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 -0.327 3.386 4.722 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 2.894 4.273 16.998 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 27.943 19.491 -21.184 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 -2.447 -5.150 0.012 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 -13.684 -4.646 7.054 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 10.105 -5.276 -9.840 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 2.669 -6.005 1.010 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 5.050 -5.120 -2.686 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 -3.630 3.305 9.860 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 0.615 1.286 3.264 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 -3.898 -5.475 -5.603 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 9.379 4.812 1.484 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 0.460 0.699 -2.607 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 -15.905 2.554 -9.687 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 -22.019 0.099 -8.367 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 -7.219 -2.193 -6.515 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 -13.592 -4.941 -31.888 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 19.941 -8.575 -0.424 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 -0.618 -2.613 -1.217 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 -0.151 8.730 -9.199 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 -10.404 -8.525 -5.076 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 2.371 -6.358 -3.577 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 -7.339 5.016 -4.580 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 3.066 -12.918 -9.041 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 2.552 -5.359 -5.438 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 -2.977 -14.257 -7.071 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 8.584 -8.616 0.509 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 -1.857 0.445 -1.602 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 5.702 1.587 -2.022 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 -3.358 7.498 -1.201 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 -1.840 1.142 -3.920 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 -4.831 15.949 -0.962 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 6.055 -20.478 -16.800 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 2.958 1.718 -4.947 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 -11.262 -27.918 -25.700 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 16.615 6.151 18.245 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 4.268 3.985 -1.797 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 -3.366 6.865 1.857 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 13.700 1.801 3.905 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 -7.971 6.976 -7.349 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 5.696 -9.555 8.397 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 -8.954 11.678 12.810 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 -4.770 0.321 4.771 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 7.085 4.739 2.401 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 -2.699 -3.152 -2.958 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 -4.247 1.391 4.604 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 -4.237 10.398 10.518 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 -1.829 -14.188 3.825 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 1.565 0.245 5.023 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 7.701 14.462 13.764 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 -8.221 13.928 -2.016 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 -3.655 3.484 -3.550 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 -3.090 -1.095 -12.114 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 11.606 1.165 -25.544 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 -3.096 5.389 0.773 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 22.481 -13.600 -6.062 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 -5.613 7.167 -6.041 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 -6.306 -7.658 -3.170 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 -16.324 0.366 -1.602 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 0.579 -18.975 -2.743 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 -0.813 2.632 0.748 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 -19.833 3.024 -4.181 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 9.133 -10.209 -18.002 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 2.303 0.823 -1.734 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 15.046 -2.514 -20.388 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 -5.110 7.434 -1.971 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 4.079 5.983 8.406 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 -14.127 1.418 -1.023 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 20.072 2.914 3.746 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 -5.013 -1.273 -8.467 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 -3.810 -12.207 -3.528 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 -8.390 -2.763 -8.059 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 0.273 5.171 -0.025 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 -2.543 1.337 -11.553 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 8.345 2.789 -0.850 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 1.236 2.170 0.107 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 3.793 -5.086 -3.034 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 -1.220 -2.437 -1.781 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 -2.350 5.054 6.158 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 -8.288 -15.403 -0.824 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 -16.694 -0.433 -25.442 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 -4.578 2.274 2.891 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 -2.404 -7.495 8.002 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 2.493 9.736 8.950 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 6.756 4.333 -1.450 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 17.612 6.394 24.794 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 1.908 3.255 -12.414 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 5.185 -2.843 3.572 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 7.697 8.146 17.894 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 -16.190 -15.547 2.785 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 10.629 -0.889 -2.727 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 20.852 -5.293 12.308 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 9.806 -2.202 -1.162 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 3.090 5.263 -1.694 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 37.091 -23.282 2.287 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 21.470 -2.630 -28.284 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 -0.035 3.987 8.121 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 2.852 0.135 11.734 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 0.714 -0.697 5.681 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 -5.610 0.462 1.950 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 -13.278 16.658 14.689 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 -11.077 -0.123 2.703 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 -5.561 0.891 4.125 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 5.659 16.914 -10.025 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 8.305 6.551 -15.361 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 -2.742 7.068 -2.428 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 -0.416 7.317 -1.412 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 -11.032 14.610 -2.135 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 -1.255 -1.835 3.334 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 17.061 -3.444 -5.873 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 -15.337 3.912 -10.482 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 -5.971 1.004 1.775 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 2.504 5.327 -11.185 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 -20.148 5.815 0.214 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 7.788 -2.071 -1.419 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 6.146 -2.758 -0.889 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 2.610 16.374 -7.130 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 -2.192 -3.841 -4.699 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 6.226 -5.058 -4.339 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 2.312 -6.796 -6.433 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 4.974 1.616 -5.460 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 -5.208 -3.532 -15.952 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 3.130 0.465 -3.007 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 2.077 3.706 -0.703 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 4.489 3.697 -7.035 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 7.486 2.281 -12.823 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 3.893 1.732 -2.402 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 -7.112 21.678 -5.283 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 1.029 5.087 -2.196 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 -2.901 -2.557 -3.634 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 -8.663 -3.937 -24.379 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 -3.253 -4.430 -9.898 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 8.849 -0.761 2.441 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 3.915 -22.788 13.001 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 6.072 -14.681 9.444 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 -3.150 6.045 2.876 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 4.102 9.989 -6.169 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 0.780 -6.795 -2.458 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 -1.932 -4.233 1.312 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 -7.437 -3.323 1.684 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 -22.062 -9.447 -1.910 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 -0.662 -1.308 -3.612 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 3.403 19.575 -4.243 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 -4.225 -4.328 3.992 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 -1.882 -0.361 -0.686 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 -15.407 2.207 2.169 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 -8.490 3.345 -3.780 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 -11.243 -1.026 -1.747 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 -7.032 8.997 1.390 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 -10.241 -15.960 -9.110 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 -6.593 -5.301 3.359 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 1.686 7.050 7.116 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 2.280 4.059 -0.284 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 -6.245 4.420 -1.652 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 -11.903 -8.673 7.089 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 -1.406 13.968 -10.343 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 3.535 0.298 -2.646 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 -33.917 -8.276 18.389 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 3.339 10.678 -4.574 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 7.186 -10.276 -1.108 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 4.681 18.917 -20.470 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 6.493 -15.046 3.814 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 -1.480 -10.889 -2.396 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 -5.489 -21.903 14.598 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 -6.858 -17.060 14.317 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 -0.551 -0.999 0.568 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 19.087 -3.259 15.811 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 -36.295 -6.324 -20.600 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 3.287 -4.469 1.179 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 22.720 -1.930 -13.098 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 -27.959 -6.444 21.317 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 2.839 1.452 -0.400 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 2.527 3.147 -3.407 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 3.428 0.959 1.550 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 -3.489 1.018 5.806 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 -2.670 0.940 5.510 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 23.758 -3.228 -13.361 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 4.656 2.814 -3.622 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 9.999 -4.778 -4.374 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 10.667 -4.483 -4.008 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 1.538 -5.211 8.524 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 -6.989 -2.125 10.463 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 15.912 3.770 -7.008 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 0.579 -8.037 -4.321 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 -2.160 -2.212 -4.172 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 8.339 -24.844 -5.384 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 1.514 -1.098 -7.195 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 0.273 5.439 -1.036 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 7.379 -18.071 -10.784 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 0.611 5.906 -3.916 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 -8.123 16.720 -1.150 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 17.568 -10.175 -3.373 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 3.152 -2.733 -6.323 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 -2.176 -1.264 15.339 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 0.243 -4.495 13.184 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 1.053 1.292 -4.254 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 -0.663 13.048 -2.243 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 6.558 4.696 10.940 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 -0.038 2.233 1.871 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 1.070 2.193 4.615 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 -3.438 2.741 -4.691 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 -9.131 -0.919 2.618 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 -22.453 6.798 -27.219 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 -33.636 -14.585 15.572 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 3.523 2.921 -6.496 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 2.013 -8.388 -4.594 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 1.769 1.842 -1.257 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 5.932 0.813 2.462 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 -5.992 13.230 20.999 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 14.754 15.892 -10.665 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 1.427 3.789 1.312 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 -12.249 -10.848 2.427 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 -3.606 20.458 -22.655 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 6.678 -3.380 -1.109 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 15.203 -4.408 2.093 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 5.216 -2.320 -1.737 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 -5.233 -0.426 8.846 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 14.664 -0.268 20.060 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 -31.719 1.136 -5.708 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 -2.982 0.364 -3.072 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 -7.007 3.371 18.712 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 -3.289 5.907 7.540 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 -3.730 -7.469 0.458 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 0.605 13.026 4.990 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 -13.427 -4.813 -6.097 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 3.953 8.210 2.716 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 5.853 9.014 -6.478 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 1.689 -4.197 16.616 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 1.664 0.593 -5.343 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 -0.964 8.600 0.880 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 -4.317 -6.555 -2.509 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 -13.073 -4.347 -5.964 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 -9.496 0.152 16.353 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 -12.073 -10.705 14.932 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 2.142 4.354 -0.774 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 -8.980 -14.557 -3.977 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 3.635 2.336 -3.002 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 -2.388 3.618 2.353 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 1.129 -3.917 8.248 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 -2.523 22.728 -5.060 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 -1.849 -5.533 0.928 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 -5.589 -8.348 3.683 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 -6.916 -8.670 -8.239 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 2.070 2.552 7.946 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 -3.506 4.302 -6.061 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 1.621 1.013 18.155 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 6.548 4.021 2.509 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 2.048 7.748 4.001 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 4.026 -0.036 -7.006 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 -1.700 5.472 3.174 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 -1.360 4.293 2.471 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 -14.106 -23.995 -6.994 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 -0.583 0.245 6.143 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 -7.966 -0.837 26.392 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 -23.667 2.238 10.674 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 1.051 -1.333 -1.106 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 -12.297 15.207 -9.910 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 2.134 -3.298 1.932 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 -3.370 -1.567 -7.697 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 8.653 -0.892 -7.572 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 -13.656 2.394 -5.367 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 -3.230 -2.519 -0.408 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 -19.770 -8.646 -6.572 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 -4.500 -11.998 -9.809 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 -0.477 4.669 -6.627 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 24.354 0.126 -0.961 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 -3.573 6.674 -3.423 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 -5.856 -1.063 3.142 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 -21.312 11.395 29.215 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 -10.746 -0.151 -7.683 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 -6.005 0.664 3.299 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 -4.737 -1.037 0.885 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 19.374 -8.869 4.518 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 4.984 3.234 4.474 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 -20.309 -15.036 -41.939 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 0.942 -2.676 3.553 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 -4.261 -1.968 -5.665 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 -49.854 -11.247 15.281 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 9.149 -2.495 -1.105 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 -1.293 0.391 -4.179 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 15.085 6.494 -11.679 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 -24.054 -6.708 7.955 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 8.484 0.001 -2.791 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 5.314 4.589 6.353 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 5.020 5.898 -0.946 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 -1.926 -0.538 -0.676 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 -2.691 5.412 8.220 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 1.944 -11.397 -0.825 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 -3.830 -1.786 2.417 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 -5.148 -9.335 4.672 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 -2.355 10.132 7.475 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 4.262 -5.656 5.202 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 -0.726 -4.128 5.442 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 8.825 4.075 1.896 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 -0.293 -3.299 -1.353 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 2.662 -29.156 10.498 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 2.544 25.292 14.832 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 -1.077 -0.964 -3.244 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 -12.786 -15.438 -2.482 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 -1.954 0.803 -0.163 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 -4.180 -6.007 3.580 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 -2.671 -1.267 -1.715 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 -11.021 -3.061 4.692 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 4.385 -4.667 0.212 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 6.955 -7.299 -4.436 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 14.230 -7.067 0.677 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 1.445 2.794 1.954 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 -5.419 -8.480 -3.754 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 6.406 18.176 -10.502 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 -0.794 -3.917 0.109 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 -0.156 19.649 -16.708 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 -7.772 4.041 3.215 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 5.005 6.426 5.463 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 9.714 0.449 1.719 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 -16.052 9.254 9.820 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 5.192 -6.133 -9.386 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 7.693 -3.467 -5.796 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 1.926 -6.795 -10.275 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 6.182 -0.125 -4.644 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 2.403 3.665 -5.341 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 10.773 18.620 -1.379 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 9.524 -6.728 5.712 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 -1.246 0.116 6.933 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 3.414 -1.953 6.889 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 -4.451 -4.799 2.792 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 3.039 6.003 -11.324 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 -4.706 -7.329 3.754 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 2.945 0.296 0.775 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 -8.897 23.963 -16.421 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 10.919 -26.582 -21.187 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 0.231 -0.110 -2.770 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 3.206 1.509 -3.398 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 -7.881 7.077 -11.293 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 0.772 2.398 0.186 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 2.579 2.609 -1.344 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 -0.706 1.820 -5.379 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 -3.452 1.058 0.642 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 5.752 2.934 5.242 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 0.406 4.190 -6.918 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 -5.316 -2.476 1.153 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 -6.773 -6.141 17.637 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 8.743 -10.839 -10.589 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 2.495 1.412 5.695 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 15.106 -3.792 9.141 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 9.281 -2.283 6.019 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 -7.960 4.448 -0.980 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 -1.055 -8.510 -11.414 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 -4.844 8.322 11.701 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 0.613 1.596 -7.391 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 19.070 -4.550 11.108 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 -11.463 -3.413 -5.587 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 -0.756 0.742 -2.822 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 5.952 -0.244 -6.491 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 1.340 3.442 3.347 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 4.255 -0.073 -5.132 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 -9.970 -3.301 -12.876 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 18.236 3.264 4.899 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 3.035 -0.465 -3.852 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 12.122 -11.864 -20.174 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 2.969 33.504 -15.707 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 6.280 -8.225 5.517 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 22.494 -10.875 -7.096 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 7.707 -10.326 -5.298 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 -0.597 -7.366 7.633 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 0.139 -7.268 4.253 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 -16.590 -7.684 11.031 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 3.106 2.257 5.514 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 10.259 -0.322 12.190 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 5.553 0.269 11.254 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 0.032 5.459 -3.305 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 -8.438 7.115 -6.287 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 3.420 0.490 8.392 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 10.294 -0.259 4.978 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 0.292 -13.415 5.093 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 -0.429 15.147 4.820 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 -7.461 0.398 1.753 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 -11.321 -3.927 4.308 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 -21.691 5.999 -9.289 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 -2.211 1.432 0.840 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 -0.468 8.699 -3.009 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 3.602 0.039 3.667 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 3.188 -3.635 -2.418 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 -10.456 -6.671 9.434 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 1.862 -19.287 3.700 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 -4.376 -3.181 -5.332 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 11.836 26.498 -23.689 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 -7.932 7.866 30.830 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 -1.686 4.676 2.779 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 5.840 0.463 4.938 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 5.602 -4.552 -7.692 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 4.076 2.498 -3.222 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 14.709 -0.421 -13.900 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 6.035 -6.873 8.080 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 -1.309 -3.118 5.703 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 -2.385 -13.340 18.257 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 -3.641 11.483 15.538 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 -0.465 2.515 7.023 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 8.461 -21.157 -20.095 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 7.672 3.015 3.231 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 -2.550 -0.697 -2.341 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 -5.306 4.013 -0.336 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 -11.891 1.269 11.987 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 3.988 5.647 2.192 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 -20.047 -5.864 -11.968 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 -2.424 -6.780 -1.188 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 2.533 2.499 -2.051 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 -1.744 21.984 -13.854 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 1.959 9.348 -6.317 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 3.235 2.677 -4.717 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 9.647 -6.307 -4.715 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 3.346 4.735 -5.579 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 8.093 0.522 0.530 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 25.292 0.771 20.825 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 -1.962 10.155 -8.406 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 3.775 -0.950 -7.561 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 14.806 -8.919 -30.716 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 19.779 12.127 -1.827 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 4.256 1.698 -2.006 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 -3.117 21.015 33.289 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 7.231 -7.649 -16.020 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 0.160 2.437 3.758 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 2.508 5.618 1.938 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 -10.204 4.520 16.782 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 1.927 6.080 0.792 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 7.540 1.714 9.047 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 10.358 -2.261 -0.911 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 -2.897 -2.025 6.307 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 -3.667 1.568 -10.287 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 9.569 -0.925 12.851 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 1.019 -6.631 3.505 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 -7.319 -21.034 -5.852 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 12.884 10.943 17.701 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 5.129 -1.121 -1.316 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 -2.834 7.474 -12.020 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 5.584 -3.255 0.657 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 5.204 -7.834 5.230 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 13.645 -15.762 -8.471 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 -12.835 -3.142 0.736 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 -3.697 -1.633 7.597 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 -15.955 15.996 27.781 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 7.957 -21.590 -8.276 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 -1.415 -0.567 -3.857 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 1.463 -3.592 -1.699 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 -7.118 14.815 -10.852 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 -0.725 2.820 2.452 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 -19.596 8.871 11.628 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 -14.441 -27.316 3.254 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 -6.592 2.798 -1.996 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 -3.989 18.770 -8.510 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 -10.275 5.614 8.460 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 0.303 -0.025 -5.329 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 1.325 0.584 16.772 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 -9.971 15.698 -11.275 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 -5.070 1.477 -3.855 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 -14.562 -7.038 3.759 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 -8.519 20.709 -9.546 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 0.821 5.737 -1.332 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 -3.079 4.273 2.506 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 5.818 1.531 2.026 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 1.748 -0.820 3.744 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 9.804 18.009 -3.554 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 -14.508 -14.751 3.089 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 -0.234 -2.360 7.708 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 -4.471 3.037 4.944 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 5.904 -3.194 6.694 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 1.655 2.641 4.329 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 14.370 -0.495 -1.825 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 4.826 16.499 9.375 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 7.069 3.921 -3.947 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 7.948 5.874 -10.011 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 11.295 7.218 -0.731 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 2.542 3.149 1.325 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 6.455 0.854 18.455 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 4.020 -1.279 -2.875 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 -5.432 3.458 -1.794 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 -8.695 21.539 -6.746 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 -6.071 11.720 -4.326 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 3.577 0.014 3.753 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 16.647 -13.751 14.020 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 4.945 -1.030 -12.059 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 2.037 0.997 -6.775 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 8.301 1.837 0.233 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 -0.972 6.854 -5.192 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 5.343 -3.101 -4.944 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 9.579 16.123 -10.541 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 -10.445 2.453 -1.531 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 1.975 3.739 -3.454 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 -4.238 20.987 -4.194 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 -11.787 20.522 -14.312 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 7.930 -8.490 3.690 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 -9.945 -4.260 -22.929 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 -14.867 -15.553 16.432 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 3.469 3.390 1.424 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 -4.255 -3.235 -2.673 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 4.952 9.921 -4.780 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 7.052 -3.288 1.559 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 -0.708 4.096 -2.061 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 -25.513 6.231 -18.970 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 -0.833 0.211 0.236 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 2.446 10.348 12.021 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 -14.890 3.735 12.766 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 -2.477 -3.707 -4.413 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 23.808 19.318 -24.906 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 7.423 5.273 -13.670 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 -1.005 -1.869 -8.580 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 -17.451 30.463 -12.384 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 -4.525 -0.236 -9.222 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 -5.199 0.744 3.241 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 -4.540 -0.063 3.104 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 -4.698 0.698 2.905 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 -0.764 -1.554 -1.938 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 -35.862 -4.128 16.609 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 22.141 -0.296 0.833 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 2.286 -2.682 -2.856 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 -5.977 9.524 -0.503 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 5.839 -4.631 11.505 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 -6.218 -1.359 4.693 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 1.571 13.963 -11.758 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 2.799 10.973 2.212 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 -1.670 2.868 3.599 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 -3.395 -1.340 -9.444 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 -16.846 -5.234 -2.427 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 1.840 0.340 -0.512 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 7.127 10.861 19.195 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 41.777 6.380 -18.660 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 -2.236 -0.668 3.567 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 -9.288 -1.248 -4.744 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 -2.839 -10.676 5.076 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 -5.027 0.620 -6.816 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 10.784 7.986 -4.023 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 0.884 2.422 -12.748 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 -7.218 -7.255 1.253 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 -3.247 -12.225 9.886 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 -10.253 -4.154 19.892 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 -5.603 2.826 7.687 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 -1.025 -0.293 -1.782 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 4.065 6.013 20.362 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 -3.439 -6.694 5.357 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 -11.401 -7.240 7.308 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 -18.581 18.110 0.856 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 -3.268 -3.496 1.229 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 -15.259 19.073 15.770 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 -4.133 -25.858 19.283 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 5.792 -2.571 3.289 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 -2.718 -8.105 34.710 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 22.115 -1.458 17.145 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 5.674 -6.591 10.437 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 5.935 -3.780 -3.390 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 10.643 5.090 -10.382 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 -1.559 -1.205 -1.845 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 5.628 -1.517 8.468 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 14.888 14.921 -6.769 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 -1.353 4.778 -4.479 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 -7.550 12.737 -10.551 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 15.089 0.630 -21.576 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 -2.194 -3.782 -3.207 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 6.618 -12.984 -4.277 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 -11.060 -22.362 5.908 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 -1.124 0.209 5.673 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 -4.426 -8.951 -12.378 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 10.792 6.287 21.158 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 -4.892 2.850 2.794 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 -16.980 13.559 13.222 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 -11.715 4.236 -12.682 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 8.700 0.503 2.931 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 -2.759 5.657 11.467 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 17.949 -14.486 9.223 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 2.437 2.841 -8.686 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 7.828 0.181 -5.708 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 -3.668 -18.906 -5.495 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 4.266 10.912 -5.545 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 6.454 11.913 -25.704 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 -12.395 28.123 -17.234 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 -0.138 -3.777 3.908 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 4.129 -14.363 16.134 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 -4.554 -3.889 -1.283 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 -3.930 0.141 0.458 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 40.862 9.736 18.983 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 -4.452 1.945 9.091 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 -0.599 3.072 4.427 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 -9.974 10.627 3.672 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 -9.991 12.542 -10.679 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 -7.915 3.840 -2.390 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 -11.783 -14.480 -17.391 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 -13.497 -40.132 0.125 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 5.359 0.879 0.067 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 -6.222 2.510 -4.742 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 -11.760 -2.882 2.078 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 2.110 4.168 5.233 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 7.932 22.834 -4.008 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 7.940 1.367 -7.037 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 -5.396 -1.273 8.923 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 -39.601 -5.290 -3.944 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 -6.632 -6.442 29.744 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 -0.071 -1.608 0.489 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 17.278 25.660 -1.181 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 -9.698 4.011 -21.346 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 0.033 1.754 -2.439 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 -20.841 4.485 2.161 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 9.463 -1.118 2.355 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 -2.645 3.422 -3.250 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 -1.600 2.963 -2.655 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 -5.265 -0.227 -7.897 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 0.318 -1.384 4.236 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 -20.799 -3.384 -8.382 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 -11.864 -7.373 -11.413 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 -6.677 -7.054 -1.961 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 2.801 -11.862 4.518 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 -6.524 -3.877 -8.944 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 3.113 -4.546 4.124 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 -3.828 0.665 -3.334 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 8.713 -19.823 10.366 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 7.689 0.533 7.430 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 4.104 -2.023 2.267 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 9.750 -4.898 11.767 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 -0.601 -0.894 -3.254 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 -13.043 0.058 4.525 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 17.543 -13.416 -1.429 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 0.471 -1.556 0.128 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 -2.388 -7.970 7.358 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 12.437 -6.151 15.709 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 0.130 -3.340 2.388 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 -3.999 -20.975 8.859 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 -4.933 -19.355 9.967 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 -2.807 2.647 2.686 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 36.080 -1.803 8.110 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 -4.077 27.197 11.696 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 -1.868 -1.880 -0.566 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 -6.877 -3.402 -2.647 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 -7.845 10.357 3.061 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 -1.172 -4.100 -2.521 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 19.876 1.262 2.480 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 -5.492 -17.454 -6.537 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 -0.939 3.042 2.527 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 1.481 -11.883 7.249 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 -4.095 -10.518 1.828 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 7.836 2.138 -0.959 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 6.895 0.700 -0.997 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 -13.379 -1.148 -18.976 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 -8.127 2.797 2.880 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 -0.471 -0.476 10.935 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 22.046 -3.066 5.152 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 1.548 -0.408 -4.181 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 0.045 -3.084 -6.144 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 16.571 22.860 14.547 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 -1.928 1.108 3.502 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 -8.789 0.116 14.075 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 1.293 4.079 2.858 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 3.334 0.882 2.935 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 -0.959 -3.044 -0.685 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 -21.154 16.816 -13.129 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 3.064 2.092 2.701 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 18.531 -9.410 7.965 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 3.934 3.976 4.418 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 -1.615 -1.910 3.696 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 -3.692 -2.388 3.513 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 -5.067 -2.097 2.523 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 4.148 1.330 -0.682 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 8.917 19.346 -14.408 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 -0.839 1.075 -8.514 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 5.362 7.810 0.675 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 4.480 27.233 -10.588 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 4.055 -8.023 22.040 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 -4.952 2.036 -5.884 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 2.799 -9.254 12.521 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 -5.389 3.974 -22.287 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 -5.323 -7.178 -4.733 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 17.870 -1.795 10.387 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 -2.925 -9.673 16.461 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 -0.907 -4.346 -2.376 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 -0.661 -6.025 -2.574 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 -29.868 -23.909 4.027 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 8.015 0.330 1.038 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 19.424 31.180 -5.090 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 10.116 2.327 -3.141 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 1.067 -4.866 4.627 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 -7.401 5.061 -3.192 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 5.178 -4.206 -5.518 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 -0.699 -4.706 -1.227 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 5.717 -5.180 0.451 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 1.127 3.721 -0.142 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 1.890 6.159 4.470 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 14.706 5.157 4.733 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 -7.514 13.295 -10.990 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 -6.049 5.769 2.115 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 11.162 10.017 -4.897 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 -4.584 4.081 21.316 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 1.018 4.170 -3.764 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 4.869 -0.375 -21.467 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 1.861 -6.905 -11.428 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 1.432 -4.369 2.717 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 25.271 21.663 7.551 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 3.964 8.330 23.906 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 0.619 -4.827 -6.440 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 -1.787 -7.902 -0.991 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 3.750 -4.946 -9.631 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 -1.117 -8.194 2.948 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 2.911 0.104 -15.420 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 -26.490 -5.218 7.995 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 -0.743 5.757 -2.042 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 15.982 -4.710 11.241 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 6.839 2.297 -24.424 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 -5.634 2.839 -6.896 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 18.403 4.056 14.396 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 -17.494 11.020 -13.043 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 2.108 -0.466 -4.145 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 8.770 -21.923 -15.648 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 19.462 0.966 -6.049 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 0.826 -1.801 3.035 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 -24.274 14.152 2.868 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 -7.303 -27.007 -10.869 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 -1.997 3.451 11.986 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 15.577 -4.472 23.203 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 4.948 14.411 -11.616 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 -0.546 -3.310 3.060 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 18.716 -25.153 -49.520 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 8.443 -16.089 14.474 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 0.955 -3.028 -2.053 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 -14.536 -3.435 -7.756 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 4.356 -9.796 -3.691 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 2.603 4.071 1.172 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 9.814 -2.097 -3.920 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 -7.215 -2.598 -9.098 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 -7.107 2.358 4.851 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 2.284 9.309 20.321 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 -13.933 -20.148 5.121 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 -5.291 2.834 -3.443 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 -6.520 0.367 -0.424 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 -4.627 8.771 -16.104 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 -1.101 -3.332 -1.481 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 -2.850 1.880 14.763 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 -11.323 4.123 19.246 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 -0.357 -5.363 -5.112 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 8.750 -19.211 -3.355 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 -37.769 -13.451 1.890 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 1.112 -0.940 -1.698 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 18.992 -13.547 19.668 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 -8.008 3.781 -5.459 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 3.753 -4.423 1.850 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 -19.562 -3.659 -16.160 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 -39.453 4.739 6.827 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 -3.291 0.505 -6.123 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 -5.862 -6.464 -13.299 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 32.518 -8.303 27.016 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 4.642 -11.485 6.662 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 14.104 -13.213 17.145 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 -8.554 -7.804 -6.434 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 -1.387 6.397 1.448 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 -1.315 -2.969 -12.836 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 -2.474 2.168 -21.018 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 2.245 1.158 -7.690 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 8.671 -3.715 -1.443 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 7.520 8.429 -14.106 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 4.308 -4.099 1.937 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 -15.795 6.630 7.351 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 8.603 -1.293 -6.702 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 3.580 -0.355 0.174 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 2.830 -17.346 9.231 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 8.610 -24.724 22.739 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 4.099 0.631 -0.004 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 12.089 3.470 5.540 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 -10.347 25.608 -10.200 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 4.232 1.753 2.761 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 5.351 -14.598 -17.524 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 -23.370 10.191 -7.291 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 3.161 -2.969 6.093 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 4.160 -6.277 -5.167 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 0.465 11.969 55.188 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 1.914 -0.923 -5.928 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 -16.544 -5.344 -9.994 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 4.324 -1.896 -7.188 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 0.198 5.291 -1.081 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 -4.142 11.307 17.069 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 12.113 15.540 -4.816 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 -8.107 3.634 3.211 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 -7.308 -4.944 1.850 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 -15.631 8.289 3.157 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 -0.445 -0.963 -0.129 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 3.783 -10.005 18.045 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 2.658 -1.313 11.391 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 2.064 -5.826 -6.406 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 -18.657 5.937 -16.044 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 4.499 25.178 1.524 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 -5.739 2.955 2.099 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 3.110 -12.978 15.218 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 -6.659 1.918 -20.063 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 -7.232 0.135 -3.523 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 -12.479 -0.488 -18.209 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 -5.496 8.597 -9.022 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 0.556 1.740 1.219 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 5.779 -5.761 12.390 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 9.103 2.101 -7.560 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 2.767 -4.349 1.373 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 -2.393 4.437 -7.735 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 -23.932 40.810 7.974 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 -2.997 -1.752 -0.612 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 3.327 -7.634 -3.024 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 3.799 4.628 1.760 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 2.263 2.726 0.401 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 16.285 2.334 6.348 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 1.517 18.738 11.146 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 -0.647 -6.551 -1.047 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 -7.704 6.879 -5.474 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 11.979 -5.558 10.190 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 -4.852 -3.568 7.718 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 -16.658 3.756 4.158 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 14.631 5.825 2.924 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 -4.659 0.059 -1.225 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 -3.089 -3.943 -0.985 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 -10.092 -18.239 5.627 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 -2.572 -4.903 -8.147 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 -0.388 -6.781 -8.310 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 -20.985 -6.914 1.004 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 1.676 -5.926 -3.147 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 15.938 12.848 13.067 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 1.040 -14.200 -13.836 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 7.785 -2.009 2.854 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 -4.261 21.919 0.095 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 -8.582 -8.379 13.758 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 1.838 -3.050 -6.322 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 2.058 6.691 -7.686 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 -1.355 1.146 -8.988 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 0.190 4.135 3.133 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 -4.949 7.884 6.081 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 -5.028 -0.998 7.156 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 -4.335 3.192 -5.318 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 4.583 -13.535 8.672 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 9.930 17.276 -4.098 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 -3.256 0.179 5.366 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 1.866 -7.398 0.945 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 19.918 2.370 -1.787 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 -0.003 -3.085 -1.997 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 3.261 1.158 -12.212 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 -0.829 -10.220 -0.517 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 -3.792 -1.836 -2.411 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 -12.000 -5.151 41.303 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 38.851 12.574 -4.817 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 -12.063 1.406 -0.127 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 -6.005 3.190 -0.701 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 -24.453 8.523 -4.604 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 3.818 2.010 -12.515 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 0.969 -4.612 -16.080 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 1.084 4.508 -0.133 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 -0.807 -4.650 -1.401 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 12.538 -5.528 7.234 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 -6.044 -21.321 -4.895 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 -0.876 -2.921 8.736 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 -3.902 -14.409 2.934 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 4.282 -10.082 3.043 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 5.622 -2.744 0.686 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 -12.933 -2.740 -16.742 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 4.242 -25.427 11.844 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 3.445 2.690 -4.302 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 -0.400 5.918 -18.279 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 -1.517 6.782 -22.543 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 -3.352 2.850 6.417 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 -2.783 -6.309 6.559 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 -2.573 2.953 7.426 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 7.736 0.058 2.932 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 28.437 3.576 -5.020 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 30.999 6.041 -10.900 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 4.703 -2.099 1.489 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 -31.442 -3.643 -2.633 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 17.300 -19.101 -17.336 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 -4.448 4.672 -1.314 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 9.015 -4.954 -0.884 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 7.444 26.909 2.144 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 3.253 -2.619 3.231 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 9.889 -12.557 7.589 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 -8.293 -8.851 5.286 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 -2.142 -0.599 0.847 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 -19.755 -6.578 -3.842 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 16.199 9.788 17.644 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 -0.386 4.971 1.641 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 -16.488 7.973 -14.740 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 8.320 -6.570 -6.873 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 0.689 -6.180 7.409 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 0.589 -14.684 1.854 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 -2.102 -15.204 2.511 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 -1.360 -0.241 -6.697 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 -14.209 -1.777 -18.641 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 -21.653 3.292 -27.809 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 -1.010 -3.622 1.253 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 -0.391 -3.626 2.794 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 0.694 -2.303 5.924 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 -2.030 2.073 -3.333 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 6.986 1.747 1.266 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 10.330 -2.693 2.572 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 -2.706 -4.309 6.453 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 11.053 0.163 4.470 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 -12.259 4.454 0.453 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 -1.690 -2.084 7.104 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 -0.903 -0.127 8.080 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 -5.001 -1.975 9.986 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 -0.910 3.094 -6.994 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 0.557 12.238 -10.820 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 -3.388 5.944 2.649 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 -6.893 1.808 8.058 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 0.038 -3.329 5.092 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 21.097 -6.941 1.136 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 -4.317 1.082 5.216 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 2.124 -14.846 0.866 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 -25.641 7.714 -2.489 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 4.428 1.770 -3.046 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 -5.507 21.355 -5.738 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 2.628 -2.426 -6.757 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 -4.557 -1.143 6.198 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 -21.846 3.920 -3.757 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 18.047 -1.584 30.377 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 -1.068 -5.626 -0.381 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 -9.382 3.110 8.669 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 -15.276 -18.580 6.674 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 0.784 4.230 -0.049 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 10.650 -0.249 3.579 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 -14.953 1.656 -3.264 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 -4.198 -2.610 -3.404 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 8.928 0.680 -0.971 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 11.454 -3.043 6.319 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 3.377 0.907 -2.509 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 5.747 -1.414 20.585 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 -3.882 8.043 -14.964 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 4.029 -5.814 2.375 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 -3.075 -9.693 -10.296 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 -0.173 -7.936 -8.999 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 -4.135 4.486 6.880 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 13.314 2.544 -7.938 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 17.780 8.191 -14.454 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 -0.080 0.060 -6.736 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 25.803 -6.179 -9.453 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 16.711 1.868 -10.018 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 -0.784 -3.404 -5.572 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 -18.487 1.412 -7.887 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 6.811 14.335 -4.903 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 0.934 3.332 1.205 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 3.422 2.320 1.570 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 2.496 6.260 -2.027 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 -5.992 -8.538 -8.355 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 14.171 -8.043 -3.926 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 14.311 -7.986 -12.662 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 4.982 -1.913 0.853 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 -1.212 -6.830 -5.942 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 5.113 7.069 14.885 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 -7.363 8.197 -1.482 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 0.638 -9.823 1.570 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 -19.523 2.185 -15.567 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 12.296 -2.147 5.914 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 35.744 5.944 -3.645 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 -6.608 4.894 8.095 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 2.472 -0.630 1.212 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 7.021 -0.923 2.547 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 -16.835 -12.567 -35.594 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 7.015 2.945 1.111 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 -7.714 2.763 0.983 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 8.062 -6.876 5.552 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 -9.044 4.608 -5.059 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 5.129 11.624 8.759 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 -14.182 7.568 -17.079 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 0.551 -1.611 -0.423 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 5.385 9.056 -5.629 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 -10.294 -15.361 9.919 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 0.451 -14.830 -1.342 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 5.639 2.193 -14.016 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 4.400 -7.710 5.962 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 10.094 5.094 7.184 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 2.845 13.343 16.982 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 21.874 -10.329 -9.997 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 3.322 -4.664 10.272 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 1.727 -11.230 0.137 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 6.722 -3.407 10.957 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 -2.927 2.214 3.297 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 -36.371 -7.416 -25.595 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 -7.332 -19.900 2.841 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 -6.679 -2.137 -3.602 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 2.886 15.418 -11.907 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 9.809 5.279 9.269 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 1.393 -1.695 -4.109 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 4.624 -2.546 -6.459 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 10.194 -3.925 -13.437 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 -2.999 -0.618 -1.362 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 1.054 -6.122 0.847 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 -1.350 -4.214 -1.656 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 -0.874 -6.014 -2.233 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 -2.965 -2.278 -4.853 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 14.233 15.038 7.291 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 -2.192 5.222 4.651 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 8.416 5.618 1.890 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 -24.515 16.223 7.210 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 -4.200 2.024 -3.029 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 1.860 5.890 4.440 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 1.138 -16.001 -8.838 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 -2.011 7.706 2.633 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 -4.197 10.301 -1.727 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 -0.769 3.629 -1.950 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 7.892 -1.604 -0.710 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 -9.034 -11.709 -10.838 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 1.783 -6.614 -3.243 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 9.467 -1.273 5.332 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 -7.359 -3.446 -5.495 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 6.876 -11.268 -6.448 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 -3.913 2.057 -3.314 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 -0.738 4.408 2.577 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 -5.812 -4.464 -1.733 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 -5.648 -6.932 1.859 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 5.855 -7.266 15.114 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 11.690 9.245 -4.708 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 0.428 -1.010 7.537 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 23.053 11.576 -1.362 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 11.243 -3.211 -2.027 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 -4.858 -1.847 4.731 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 -3.308 2.269 -4.296 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 10.580 14.653 -14.225 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 -4.655 9.903 8.779 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 5.234 9.559 3.100 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 -7.903 8.183 11.115 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 3.684 -8.417 1.219 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 -13.645 -15.423 15.329 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 10.150 11.038 13.393 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 5.334 -4.742 0.562 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 9.875 -2.037 7.561 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 3.499 -6.517 -1.393 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 4.324 5.898 -2.667 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 23.603 -3.914 -15.121 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 1.109 0.896 7.326 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 -3.668 2.157 -2.995 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 4.340 23.505 9.362 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 -10.271 -14.203 13.756 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 -0.216 3.929 5.851 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 -2.649 -0.024 39.475 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 -30.872 9.100 -10.608 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 -5.428 5.639 2.597 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 27.889 -0.312 -15.302 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 6.098 23.462 -12.201 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 -6.049 8.457 1.941 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 20.857 7.750 -19.892 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 8.411 8.619 21.367 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 -1.597 -4.054 2.427 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 -17.695 30.968 -4.910 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 -22.752 6.816 -26.874 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 -0.740 1.002 2.840 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 -1.620 1.569 -11.990 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 5.017 -4.951 13.271 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 -0.192 4.626 8.897 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 -2.749 3.114 5.642 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 -3.773 -23.436 -5.127 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 2.374 6.930 -2.255 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 -6.978 -0.135 5.270 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 34.157 11.432 -13.307 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 -3.908 -3.493 -4.730 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 1.294 1.332 4.202 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 -6.477 -5.173 0.227 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 -0.846 -0.018 -1.379 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 -13.752 30.367 -4.808 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 29.595 1.981 -14.731 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 -3.684 0.524 3.286 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 7.044 -16.171 2.267 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 11.387 3.530 6.474 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 -5.752 -1.970 1.256 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 -3.441 -0.588 10.357 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 16.768 11.112 -9.859 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 0.905 1.261 -1.596 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 -7.715 3.272 -18.236 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 -1.755 8.852 3.762 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 -3.401 -0.562 -4.808 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 2.623 19.818 -4.745 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 -3.630 -5.747 -1.573 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 0.525 5.612 -4.876 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 10.044 6.836 -13.322 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 -8.466 -2.767 21.313 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 8.591 2.051 1.370 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 -20.114 6.423 -5.553 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 18.669 3.324 24.160 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 10.546 7.205 -4.136 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 11.469 15.763 -17.605 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 14.280 6.164 -4.051 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 -1.598 6.456 -1.667 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 -11.399 6.501 -8.958 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 5.584 7.183 -8.401 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 -1.251 3.213 -0.438 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 2.821 5.139 -1.486 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 0.162 -7.497 -14.637 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 0.603 4.682 -2.743 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 3.683 8.226 21.052 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 4.405 0.708 -27.060 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 -10.212 -6.710 -1.790 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 -17.251 -7.717 -1.062 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 -7.040 -8.951 4.962 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 3.468 -2.330 2.293 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 -7.216 -2.438 -5.129 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 10.664 -6.752 -10.994 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 -2.411 2.478 1.520 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 -8.730 6.193 -14.377 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 4.024 0.714 26.276 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 -2.834 4.038 -2.367 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 1.251 0.838 -5.199 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 -6.020 8.531 7.467 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 1.062 -0.909 3.945 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 -4.055 -1.423 5.637 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 2.054 3.985 -21.131 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 3.107 -0.003 -4.199 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 -10.241 -9.185 9.430 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 -6.846 1.740 4.883 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 -0.114 2.029 3.997 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 5.022 1.721 -6.267 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 -7.077 4.848 13.064 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 2.201 -2.000 2.171 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 -5.045 7.313 -1.381 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 1.947 6.583 -8.699 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 3.761 1.896 1.803 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 -13.057 5.855 5.093 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 -2.418 12.379 -8.224 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 7.367 2.399 -3.512 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 -10.208 -10.998 -13.700 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 20.093 10.906 -22.616 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 -3.441 -4.244 4.563 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 18.065 -21.593 -19.415 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 -17.535 -9.677 1.405 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 -6.509 -0.924 -3.045 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 5.136 -18.685 -2.147 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 -1.594 9.710 0.693 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 0.555 -2.688 -2.248 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 -1.042 -20.327 -15.145 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 15.809 5.901 -3.237 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 -3.310 1.184 3.525 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 -6.152 2.495 1.327 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 -11.272 -10.335 -16.071 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 3.177 1.521 -5.910 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 -7.935 -8.426 -4.407 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 -13.588 8.118 -0.753 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 -3.776 2.183 -0.151 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 -0.684 -13.148 -3.270 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 -9.925 20.280 -8.943 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 -7.782 -0.349 0.094 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 4.638 -5.529 -1.647 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 15.140 3.753 18.356 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 1.638 -2.285 -1.974 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 -29.465 -9.919 23.493 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 -1.629 4.726 5.308 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 2.098 -7.085 3.322 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 1.947 -14.307 8.851 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 0.275 5.405 -8.471 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 -3.140 0.965 -2.394 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 -10.974 9.862 -14.065 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 -13.721 -23.930 3.608 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 2.548 -1.149 -3.919 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 6.027 9.352 -2.410 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 20.740 14.749 -8.787 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 4.180 3.093 -1.823 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 14.018 -4.214 -17.808 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 -0.123 9.286 7.318 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 -10.483 -5.288 -3.208 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 -3.809 -2.255 -1.902 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 7.422 5.629 4.819 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 -3.496 -5.237 -5.285 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 9.521 -1.546 13.820 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 2.622 -9.963 -6.698 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 -3.590 -4.790 -3.022 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 -14.173 -9.409 -0.409 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 3.476 -6.765 7.613 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 -2.000 0.183 -4.186 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 5.509 9.606 -10.457 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 1.918 -10.334 -6.087 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 -5.919 -6.322 -2.640 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 -8.570 -18.600 9.749 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 -17.425 8.520 4.537 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 -1.701 1.180 -3.938 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 -1.220 3.084 -28.280 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 0.677 13.845 0.738 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 7.974 -0.086 -4.944 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 -18.507 -14.361 8.528 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 3.166 -12.605 -6.429 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 0.170 -0.690 -1.997 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 -9.567 -5.029 4.843 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 0.898 -2.136 10.338 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 2.113 -0.211 9.571 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 6.468 20.375 27.185 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 -6.251 25.133 -19.306 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 3.669 3.575 -7.696 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 0.215 -6.823 3.251 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 22.320 5.849 -13.353 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 -2.791 1.978 1.400 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 6.452 21.784 12.806 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 0.721 8.847 5.419 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 10.557 -5.090 -0.530 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 31.734 2.912 3.102 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 14.298 0.381 -15.715 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 0.634 -9.136 5.926 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 3.101 14.461 -26.480 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 -31.924 3.841 -0.304 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 -6.353 2.543 -3.904 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 -24.442 -3.135 32.423 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 9.805 -0.006 -19.250 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 -1.811 3.079 2.537 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 8.994 2.081 18.212 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 -9.827 -6.453 11.529 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 -1.425 -1.253 4.713 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 9.801 -22.703 25.523 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 11.726 4.587 -8.929 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 1.667 -1.363 -0.228 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 -17.090 4.449 -19.292 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 12.271 -5.555 -8.182 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 -4.746 2.277 1.462 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 20.398 -11.139 -16.931 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 9.571 13.787 28.280 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 -1.360 7.345 -0.856 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 11.837 -4.659 3.856 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 -0.416 22.228 8.290 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 3.628 -1.277 0.899 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 1.151 0.199 3.201 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 -21.945 9.509 3.247 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 3.864 -4.364 5.566 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 -1.982 3.926 24.280 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 4.102 -7.972 -2.064 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 11.736 -2.472 -3.397 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 -17.669 -17.360 -28.980 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 -6.491 -13.932 -22.980 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 -4.015 0.068 -6.730 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 -9.356 -2.198 -7.758 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 -0.722 -3.629 -9.539 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 -4.001 -4.063 -6.126 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 10.378 -2.045 12.287 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 5.107 -2.176 3.855 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 -8.913 2.900 0.940 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 1.282 -8.073 18.299 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 -13.823 19.547 -5.489 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 -7.985 -1.873 2.867 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 -6.541 5.921 10.496 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 18.798 -15.866 22.527 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 3.775 -0.165 -1.049 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 -41.611 -13.260 13.488 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 -14.476 -5.643 -0.500 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 -2.914 -2.122 -0.635 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 9.731 -12.457 11.344 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 5.821 -9.864 8.789 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 -6.443 3.273 -5.011 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 11.529 2.228 11.927 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 -4.753 -9.217 -17.868 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 -2.083 -1.362 1.454 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 9.646 -0.719 6.480 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 -7.679 40.389 15.850 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 -2.449 0.354 -4.859 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 -10.320 0.425 7.459 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 -12.976 12.219 2.223 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 3.741 -3.075 -0.592 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 2.967 3.339 -15.212 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 5.631 13.430 8.195 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 -7.093 -2.619 -0.741 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 -0.627 7.106 10.128 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 -13.088 -10.301 -12.052 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 -8.070 2.661 1.483 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 13.267 -5.056 -4.004 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 -11.647 2.264 2.647 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 -0.982 0.255 -5.612 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 8.317 11.893 1.815 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 -1.090 -18.474 -7.039 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 -1.944 3.135 1.505 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 -11.342 25.536 -20.047 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 1.330 -18.516 22.487 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 -3.744 7.118 5.893 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 -6.338 8.074 8.486 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 -17.550 -12.046 2.969 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 0.070 11.322 -1.779 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 6.370 -17.627 -3.455 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 3.544 19.686 7.720 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 -4.328 -4.728 -6.205 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 -2.154 -3.238 2.610 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 1.060 -14.372 -9.420 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 3.860 7.757 -3.504 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 -16.665 13.568 1.086 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 -32.687 14.914 -6.215 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 4.112 0.004 0.239 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 -18.693 -5.499 -5.387 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 3.732 -0.671 26.059 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 5.940 2.707 -3.142 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 -5.650 8.708 -2.884 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 15.301 1.976 -2.842 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 -6.097 1.346 -2.130 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 20.495 10.759 9.160 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 9.738 7.201 4.257 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 -3.997 1.881 -6.636 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 -27.816 -24.699 12.310 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 -10.967 -21.441 -21.766 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 3.928 3.820 -2.752 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 -0.791 -6.746 -3.053 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 -8.112 7.868 1.472 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 3.582 1.031 8.233 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 -13.669 -5.019 24.149 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 -3.184 -13.461 -5.671 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 -2.170 -9.717 -1.683 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 -22.954 -15.357 -32.781 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 0.571 -14.238 16.340 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 8.124 -0.344 8.234 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 10.175 -12.178 0.703 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 6.536 17.978 19.467 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 -3.262 -0.941 2.148 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 25.790 -1.346 7.590 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 -16.751 -7.827 -1.972 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 -2.316 -3.881 2.492 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 12.814 -14.583 0.896 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 -21.427 -18.519 5.965 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 0.377 6.717 8.473 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 2.168 19.363 12.843 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 8.109 -26.202 -1.252 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 -6.556 3.565 -1.192 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 -10.367 8.647 5.105 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 -31.832 -21.902 11.304 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 -1.964 -2.262 2.801 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 5.301 -9.403 2.689 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 -30.436 38.330 5.389 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 -4.298 -2.567 7.293 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 -11.307 17.511 23.350 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 -9.114 18.637 -3.612 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 0.996 -5.634 1.994 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 5.628 5.210 -0.848 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 -5.793 0.203 -12.476 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 -3.740 -4.230 -1.244 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 2.546 45.404 -6.140 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 -2.010 -10.108 -9.841 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 -2.056 -2.233 -0.036 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 -6.373 -5.596 10.890 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 -3.958 -0.669 4.736 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 -0.701 -1.730 5.982 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 -25.110 -5.505 -14.402 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 -14.696 -7.128 21.094 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 6.271 0.472 1.295 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 8.110 6.120 4.539 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 -1.117 -12.772 -2.326 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 5.617 4.931 0.672 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 4.513 -10.029 2.513 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 -2.973 5.144 12.099 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 -3.066 -3.272 -2.982 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 23.294 24.975 7.977 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 -7.046 8.310 -7.070 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 -0.452 -9.012 -3.217 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 -2.417 -5.224 -5.203 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 -0.141 -6.068 2.655 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 -0.344 -7.402 2.398 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 -4.764 -7.152 1.344 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 -20.768 -14.559 -1.630 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 5.693 -4.528 -1.276 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 -12.978 -0.875 -14.271 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 -11.159 2.778 11.189 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 -2.216 2.215 -7.164 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 21.382 -12.609 -3.048 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 4.307 33.557 1.893 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 0.961 3.593 3.329 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 -5.531 9.649 -3.570 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 -4.451 6.528 -0.268 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 -1.494 -0.662 2.367 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 9.391 -3.181 -4.280 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 12.822 14.718 21.566 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 2.176 -3.220 3.113 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 -18.514 -6.597 8.979 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 3.462 -2.630 -4.810 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 1.384 3.222 -6.526 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 -1.820 24.246 -27.718 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 -1.129 13.169 -10.152 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 -1.349 5.990 -4.541 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 24.330 3.367 -9.955 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 -9.463 -25.085 2.199 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 -4.627 2.733 -8.102 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 -0.050 15.029 5.019 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 -8.192 -2.139 -14.531 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 -0.390 1.682 -4.229 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 -0.842 -11.822 14.043 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 -0.247 -1.278 0.790 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 -1.357 -3.310 0.101 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 1.512 1.419 5.936 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 -2.471 -17.968 -7.984 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 -3.843 -3.441 -1.311 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 -26.833 0.899 8.700 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 15.854 16.125 10.849 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 -0.662 4.182 4.178 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 -0.965 10.562 8.200 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 -0.848 4.654 4.653 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 -4.348 0.011 3.180 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 -18.909 -6.894 -1.304 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 27.790 -15.721 22.283 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 2.157 5.804 -6.013 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 -16.264 11.004 -0.644 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 -17.179 5.840 -1.409 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 3.914 -1.517 -5.433 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 -9.111 9.924 13.373 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 -5.611 5.950 34.926 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 3.715 -6.777 -4.221 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 1.138 -10.154 -2.149 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 14.872 -10.832 -6.942 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 -4.549 -6.335 1.244 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 1.374 -4.271 2.194 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 -12.411 -8.128 0.437 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 2.942 -3.546 3.263 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 2.888 6.864 -2.741 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 3.082 -22.315 14.922 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 7.742 1.407 1.156 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 8.070 -28.532 -15.298 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 -17.174 26.050 -2.011 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 0.032 -2.282 3.240 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 -10.757 -9.798 -20.082 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 -9.569 -9.154 -19.914 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 -3.082 6.289 1.107 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 9.547 0.331 -15.998 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 10.719 6.083 24.459 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 -3.199 4.227 1.628 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 -2.026 -5.654 -10.636 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 8.108 3.945 -15.180 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 -2.988 2.274 1.471 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 -5.113 -15.217 -26.911 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 -2.714 4.928 5.856 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 0.608 -3.694 -3.508 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 -6.411 -8.140 -2.228 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 -3.705 -11.108 4.550 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 -4.757 -0.416 3.850 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 -2.323 0.749 -4.328 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 -6.346 -2.157 4.666 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 -1.843 1.083 -3.975 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 2.320 2.200 -1.075 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 35.313 -6.883 -14.169 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 5.329 1.401 -1.686 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 5.411 6.529 2.386 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 12.571 -0.198 -1.139 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 -3.209 6.222 0.589 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 -23.846 -22.545 8.164 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 -3.341 4.394 0.116 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 3.885 -0.642 -3.663 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 10.573 1.426 -2.135 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 -11.120 -6.285 -15.720 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 1.505 -4.025 5.728 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 -4.983 -1.502 15.925 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 -14.334 3.676 20.261 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 -1.759 0.715 3.774 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 -17.598 0.651 20.706 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 0.441 16.342 -5.685 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 1.605 1.108 -1.328 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 2.604 -4.807 -6.980 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 -2.325 2.174 -0.584 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 1.835 -6.284 2.404 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 1.866 -8.766 -10.841 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 10.469 -18.623 2.637 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 -0.703 3.163 -2.035 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 4.742 1.218 9.719 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 13.991 -11.183 10.569 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 -7.172 1.613 -6.387 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 -10.188 -9.319 -12.921 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 2.527 -1.856 10.432 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 0.387 0.616 -4.045 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 -14.221 15.494 -15.742 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 17.825 13.852 2.043 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 6.078 1.048 -6.268 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 -0.467 -2.189 -3.594 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 -4.972 11.746 -13.741 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 0.789 1.682 2.916 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 34.554 14.002 -13.555 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 -9.441 20.436 -1.186 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 3.142 -1.446 -3.571 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 7.405 -4.390 -1.943 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 -1.820 6.302 -5.718 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 4.937 6.321 0.138 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 -24.956 -18.299 9.863 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 13.740 -8.260 -2.685 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 -3.193 -0.096 -3.690 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 -2.832 0.500 -3.893 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 3.839 54.577 -20.704 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 -5.948 -2.993 0.429 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 6.376 -7.350 -2.040 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 -9.322 9.086 -3.010 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 3.429 -1.421 0.273 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 23.146 5.354 33.893 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 11.333 19.543 -17.034 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 4.462 -4.471 -8.552 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 8.522 -12.701 -22.796 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 8.937 -12.617 -22.673 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 -4.125 2.889 6.342 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 3.125 -2.186 16.510 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 3.749 13.483 0.584 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 -0.684 3.305 -0.511 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 2.593 -7.774 -6.334 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 -6.617 0.080 14.429 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 0.208 -0.951 0.882 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 5.193 -0.521 6.753 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 1.881 -4.291 -14.653 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 4.788 -1.106 -6.125 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 1.954 2.402 -2.692 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 2.025 -23.297 -15.932 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 -3.458 3.294 -11.077 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 4.690 -11.041 -19.705 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 -1.140 4.082 -2.057 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 -0.611 0.959 -4.284 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 6.554 -5.944 -3.895 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 5.297 -5.999 1.281 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 -5.170 6.969 7.178 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 -15.420 -12.917 15.540 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 -3.624 3.482 23.125 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 -2.478 -0.020 -6.428 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 -0.334 -7.114 7.022 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 -8.820 -12.938 31.501 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 8.299 -2.263 3.778 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 32.753 16.274 17.563 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 -10.358 2.636 -4.731 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 8.790 2.107 1.505 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 -14.533 -0.321 -6.924 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 23.725 -0.460 2.627 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 4.299 -4.916 8.996 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 8.956 -5.454 -0.059 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 -12.561 -9.641 13.754 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 5.211 3.848 0.514 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 3.489 4.544 2.839 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 -2.049 5.025 9.348 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 6.240 -1.757 2.436 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 -24.059 0.993 0.325 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 13.364 -13.682 -0.188 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 5.101 3.152 2.334 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 13.813 38.448 -14.980 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 -1.095 -4.667 9.465 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 -5.867 0.471 4.295 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 0.588 9.621 -8.266 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 2.859 9.346 25.844 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 -1.406 3.524 -0.439 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 10.806 6.318 9.560 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 -0.224 -3.575 -13.153 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 3.684 0.266 -1.075 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 -19.122 0.401 -16.389 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 4.676 -10.824 -1.148 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 2.590 -5.982 -7.637 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 -14.778 -13.455 -3.952 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 17.017 -16.202 -5.100 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 3.198 -8.636 -2.047 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 0.634 28.543 5.984 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 0.623 19.235 1.459 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 -4.924 1.508 -2.988 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 13.518 -15.512 -7.877 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 12.372 9.129 -8.645 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 0.956 -2.730 5.414 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 -2.483 -19.872 -8.224 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 -4.486 -8.734 8.576 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 6.967 1.782 -2.820 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 13.654 6.314 -2.775 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 7.762 2.143 -2.331 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 -0.540 -11.374 2.364 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 -1.105 -9.503 4.727 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 -3.264 -8.149 5.013 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 -2.461 1.647 0.660 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 -42.089 -13.929 3.955 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 -20.157 -5.685 3.361 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 2.842 0.103 9.608 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 -18.519 -16.855 -8.492 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 12.782 7.328 14.667 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 -3.737 1.415 4.286 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 -7.557 -4.218 -11.384 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 0.735 7.761 22.584 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 -4.003 -0.622 -0.970 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 2.211 -6.272 -2.896 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 -10.490 -2.947 -1.195 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 4.710 3.435 -2.943 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 -0.122 11.377 5.802 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 6.189 0.444 -10.280 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 0.113 2.966 5.239 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 18.573 -8.777 -6.366 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 16.456 -1.016 -12.534 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 -2.739 5.227 1.556 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 8.051 23.804 -15.960 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 2.680 -6.007 -9.111 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 -6.303 -0.365 -1.180 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 -12.040 2.903 0.953 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 -0.560 -2.514 6.186 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 4.377 1.212 -0.612 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 -13.281 -5.773 4.098 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 0.678 19.221 -8.572 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 5.068 -7.877 3.744 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 0.247 -1.171 13.934 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 5.521 -14.906 2.296 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 0.038 2.223 -2.723 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 -14.256 -13.516 -15.354 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 4.782 14.300 -3.017 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 -4.538 -0.443 2.619 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 -5.427 -11.563 -6.761 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 -19.764 21.637 34.509 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 0.656 3.723 1.669 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 -6.297 -13.968 8.618 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 19.787 0.842 -26.301 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 3.086 -2.501 -3.417 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 -3.252 -2.794 -2.740 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 -7.999 -0.830 -11.037 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 -4.185 -5.906 -2.574 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 -2.267 12.381 0.801 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 9.549 15.358 -18.982 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 -1.445 3.931 2.856 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 0.793 9.491 -16.510 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 3.154 6.050 -5.304 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 -1.266 0.237 0.545 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 13.705 15.742 -11.876 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 23.650 15.020 -4.352 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 5.985 0.465 -1.162 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 -5.511 1.267 5.827 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 -4.504 0.808 31.283 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 -0.096 -4.998 -12.845 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 -2.360 -10.259 -26.165 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 6.863 3.348 15.449 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 6.713 -0.982 -0.955 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 3.829 0.116 -2.604 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 -7.393 5.172 -10.054 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 1.254 -1.965 0.894 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 16.836 -15.901 -2.672 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 16.214 18.662 0.861 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 3.827 -6.475 1.199 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 -13.785 12.698 30.850 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 12.308 18.518 -15.935 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 5.530 -0.216 11.047 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 4.445 0.539 11.601 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 -5.719 3.123 14.298 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 -0.245 5.892 -3.618 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 9.373 1.610 -25.986 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 6.620 2.404 25.631 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 3.449 -2.334 -5.799 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 -5.641 4.295 -18.087 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 -0.305 -1.672 -10.954 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 2.150 -4.821 -5.736 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 -2.621 -4.368 -5.937 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 54.290 -18.028 7.670 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 -6.308 -2.138 1.306 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 -8.075 -10.798 3.135 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 -4.226 -4.081 18.339 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 -10.180 0.384 3.181 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 -9.596 -8.693 1.637 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 -10.355 6.399 -4.688 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 -3.615 -1.777 4.432 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 -13.559 6.137 18.962 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 -18.771 10.663 10.422 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 8.721 -2.449 -2.632 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 8.121 8.417 10.287 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 32.988 -9.127 -13.728 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 3.567 -10.751 -1.263 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 9.517 -14.813 -20.503 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 7.117 -14.218 -12.759 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 -1.538 -3.168 -3.508 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 -14.388 -9.624 14.640 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 8.827 -8.585 -10.137 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 -0.170 9.226 1.377 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 20.439 28.583 -7.631 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 4.737 -14.743 -15.437 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 -1.135 -2.447 2.371 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 5.691 -7.188 -1.979 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 13.558 -18.037 -15.139 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 -0.858 0.888 -0.931 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 10.390 -17.901 -9.720 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 -17.693 -4.094 16.400 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 -0.490 1.687 -1.256 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 3.805 3.995 1.582 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 6.217 -0.916 3.217 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 3.195 5.516 -3.871 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 16.237 9.606 -10.609 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 -3.106 -5.943 -2.003 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 3.850 11.908 -0.333 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 3.127 -4.849 6.371 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 3.500 -7.287 7.710 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 2.969 2.744 -3.639 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 -0.049 8.674 9.843 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 9.434 14.620 -11.694 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 -5.040 -2.265 -0.306 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 28.326 7.699 1.779 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 -13.147 -11.785 33.000 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 4.918 -10.370 -6.297 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 0.406 -20.091 -12.249 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 -11.697 10.998 6.622 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 6.337 -2.947 -0.944 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 9.465 -7.538 3.004 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 31.355 -6.238 -4.329 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 2.477 4.506 -0.061 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 -0.778 13.907 5.101 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 4.902 -3.961 -5.154 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 1.728 -2.474 1.751 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 21.488 -8.833 2.285 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 -5.749 18.987 21.671 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 5.036 4.698 4.887 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 12.895 -27.241 -1.030 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 31.539 15.449 -17.112 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 3.891 -0.199 7.248 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 -5.914 10.550 6.595 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 13.695 4.376 16.437 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 -3.762 1.461 -2.354 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 1.056 -8.689 3.046 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 -19.385 38.707 12.959 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 1.762 3.109 -1.068 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 12.470 -3.821 -13.638 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 -14.694 -4.896 -3.201 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 1.780 3.318 -8.875 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 2.486 -17.789 -23.370 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 -17.013 -0.940 -9.510 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 0.491 -0.409 -2.522 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 9.459 -1.206 -3.997 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 3.106 -23.725 -23.922 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 -0.398 -4.049 -2.675 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 6.834 -4.140 -12.345 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 -2.264 -6.108 -3.361 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 -8.276 3.768 -3.350 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 -25.878 -1.461 0.136 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 -4.954 15.808 -12.363 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 -3.949 1.411 -2.089 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 -3.767 -1.947 2.766 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 -1.315 3.715 1.577 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 1.484 5.301 0.370 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 13.844 -3.766 -5.961 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 -20.028 19.992 14.120 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 5.315 1.270 -3.076 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 -0.933 2.352 2.559 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 -2.818 2.445 4.508 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 0.396 -4.787 -0.337 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 13.100 14.908 -9.708 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 -6.310 -36.241 -0.140 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 2.440 -5.305 6.414 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 -16.127 -22.903 -7.397 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 -12.705 -26.427 -0.300 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 5.615 3.380 -3.633 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 38.232 21.521 -3.239 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 9.198 -1.989 -5.670 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 -1.431 5.321 -1.219 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 11.836 -10.535 22.003 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 -4.163 16.127 -3.136 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 -3.285 -3.146 -1.496 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 10.862 -8.428 -14.436 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 9.515 -8.312 -12.173 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 -0.422 0.339 6.973 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 2.902 5.135 -1.718 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 -4.956 8.199 11.873 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 -6.668 -0.758 -1.279 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 0.544 -8.918 2.103 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 -5.234 10.959 14.039 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 -1.253 0.791 1.204 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 4.729 15.357 20.752 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 3.249 -7.428 -14.210 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 5.399 4.622 -8.978 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 15.569 14.516 4.874 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 -3.736 -5.274 22.574 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 -8.727 -5.496 -5.028 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 -11.094 -6.322 11.489 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 -18.580 -14.884 29.699 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 -1.254 6.420 -2.695 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 1.721 9.215 -13.288 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 3.403 -2.654 8.413 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 -4.426 -7.843 -7.325 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 14.427 -1.069 21.134 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 -4.194 -4.785 -6.861 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 2.720 1.439 0.266 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 0.071 0.396 7.520 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 2.282 -6.899 -21.537 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 -3.270 1.416 2.883 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 -19.119 -16.642 -9.063 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 -28.835 -21.705 -7.828 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 -1.371 -4.264 -2.943 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 20.634 -12.793 -10.199 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 6.229 -4.072 -15.006 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 -0.340 -4.512 0.768 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 16.450 -8.853 -15.309 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 -18.712 -9.609 -10.814 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 5.148 0.482 0.597 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 5.877 -11.133 -7.072 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 1.072 1.207 -1.679 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 -1.809 0.899 0.007 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 -8.918 8.231 -6.816 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 -0.072 12.227 -0.867 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 2.815 -1.263 -0.301 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 3.886 2.666 -2.345 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 -10.611 -3.537 2.839 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 -5.731 3.254 3.882 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 -9.785 -17.989 13.065 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 -2.170 11.881 -0.128 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 -2.781 -2.006 1.150 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 9.576 -5.111 -26.309 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 3.969 -5.125 -9.970 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 -2.946 11.171 -2.963 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 13.433 -6.113 -18.331 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 -10.044 -10.353 21.569 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 -4.911 3.678 3.454 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 -13.633 -3.581 2.919 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 15.003 10.195 -7.534 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 -2.085 -7.462 9.837 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 -1.856 -16.882 4.850 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 -9.288 -5.451 11.350 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 6.377 4.137 -2.092 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 0.424 6.159 -32.027 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 8.024 8.848 -30.161 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 -0.802 1.299 -0.981 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 -2.799 4.128 -4.419 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 3.487 3.126 1.829 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 -1.500 2.789 -0.008 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 -19.914 12.716 -30.539 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 0.219 -6.427 11.698 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 1.093 4.676 1.284 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 -6.213 12.381 7.585 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 -3.151 15.537 -4.661 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 -5.526 3.107 -5.382 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 -5.454 -0.647 -9.220 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 -16.017 14.062 3.490 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 -4.533 1.659 -7.785 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 3.907 14.222 5.470 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 10.090 -18.171 -10.202 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 -7.404 -5.156 -7.784 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 -7.476 -7.036 -13.351 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 -7.748 -3.308 -8.145 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 1.825 5.182 -0.793 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 12.564 21.060 1.889 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 2.361 5.191 -0.887 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 -11.643 -0.130 2.720 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 -11.785 -2.446 -16.627 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 -13.394 8.072 24.149 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 -3.083 0.803 3.356 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 2.827 21.274 -7.674 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 -0.240 7.953 -3.278 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 -1.997 1.413 -2.970 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 -2.504 3.080 12.297 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 3.288 17.333 -17.747 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 -3.350 -4.509 -1.301 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 -8.966 -0.971 19.224 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 10.106 9.233 -7.831 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 -11.140 2.605 -2.992 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 -8.002 17.810 -24.933 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 -13.905 -5.100 7.252 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 -3.628 3.295 2.826 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 -9.936 10.933 -15.288 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 4.980 11.535 9.689 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 2.752 3.601 2.434 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 -25.709 25.771 -3.497 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 -7.158 -14.933 7.873 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 1.037 0.573 0.348 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 -3.477 11.143 -8.151 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 -15.995 8.217 -9.608 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 -6.656 1.646 4.533 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 -23.503 0.496 24.866 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 18.854 -6.769 6.251 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 1.991 2.795 6.807 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 7.544 47.358 8.724 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 -28.081 -3.579 -23.609 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 2.703 0.786 -1.779 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 14.514 -3.081 10.855 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 5.953 -3.235 6.121 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 -5.143 -0.169 1.097 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 -8.443 6.133 -5.645 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 0.106 -14.816 12.290 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 -0.712 2.993 8.332 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 5.755 6.628 10.599 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 3.761 5.492 9.985 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 0.665 4.775 -4.127 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 6.390 8.255 13.254 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 -0.723 -13.371 2.228 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 -8.024 -6.797 -5.770 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 -7.883 -6.348 -2.849 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 -13.947 -4.275 2.527 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 -0.991 -1.388 -2.961 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 -21.500 1.219 6.849 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 16.204 -11.889 -12.324 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 -1.980 3.107 -3.701 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 -2.459 3.261 -3.490 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 -4.420 1.942 -1.161 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 9.093 -0.588 0.374 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 -11.014 -25.738 1.483 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 -8.796 25.293 -15.551 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 -0.843 -2.765 2.898 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 1.914 -3.448 0.474 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 15.364 -6.628 -14.506 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 -1.261 -0.983 -3.839 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 0.477 -0.241 2.315 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 1.098 -8.993 2.365 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 -1.728 -4.166 -7.615 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 23.645 -9.461 8.334 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 -18.961 14.110 10.828 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 2.622 1.450 -3.711 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 0.950 21.130 -9.217 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 -14.332 -2.510 6.596 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 2.582 4.299 5.305 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 9.452 13.315 0.120 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 -7.902 -1.860 4.375 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 -0.625 0.635 0.135 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 17.401 11.877 -8.857 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 24.363 -1.729 8.506 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 2.547 0.541 2.062 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 10.623 -7.383 6.937 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 12.639 14.544 16.454 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 6.434 -5.742 -0.616 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 17.135 -9.775 0.954 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 -3.941 -4.431 3.020 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 -0.483 5.386 -4.544 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 -4.782 4.397 -6.415 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 4.223 12.715 -3.242 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 7.024 -2.138 -3.048 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 7.467 -29.093 26.423 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 8.886 -6.190 4.615 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 6.204 3.846 -3.685 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 -8.469 -14.922 16.411 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 -17.911 -5.910 26.276 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 0.872 1.596 4.018 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 -14.343 23.062 18.212 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 13.725 -2.008 25.205 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 -5.043 -2.738 -7.430 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 1.023 -11.934 -23.095 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 27.262 27.745 7.000 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 0.719 -2.472 -1.718 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 2.608 -5.072 2.276 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 3.234 -7.251 4.097 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 -1.183 2.980 -2.011 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 13.435 11.770 -8.945 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 -1.454 -10.578 23.870 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 -1.209 1.880 -7.805 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 -15.563 -12.189 -7.720 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 3.063 7.837 -5.693 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 4.298 0.647 -1.405 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 10.379 7.192 6.367 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 19.393 -13.609 -24.749 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 1.322 -0.564 -3.922 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 -0.872 0.297 -4.890 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 -7.880 -1.487 -7.081 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 -0.721 1.808 -7.027 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 3.799 -3.929 -5.692 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 -6.697 -0.456 -6.271 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 -2.668 1.026 -4.045 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 27.538 2.039 16.946 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 1.163 10.486 -14.416 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 2.278 9.174 -4.174 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 -0.560 7.755 -13.501 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 5.919 10.645 0.137 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 -10.616 0.735 -3.690 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 -25.081 2.168 8.105 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 -17.408 -8.711 3.016 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 -0.738 0.168 6.220 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 0.718 2.797 6.821 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 -5.820 -1.442 5.597 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 7.280 -0.176 -5.492 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 9.812 -4.615 -7.304 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 9.106 2.173 -4.315 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 2.605 0.585 1.239 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 -0.265 -3.680 5.796 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 24.879 10.825 12.573 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 8.783 0.073 2.056 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 -4.611 2.022 2.984 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 5.798 13.018 -17.699 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 3.579 -0.175 -4.197 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 2.681 7.206 3.246 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 1.037 7.982 -11.207 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 -0.919 0.127 -0.595 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 -18.428 -1.708 -19.028 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 -2.069 -18.933 -3.540 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 0.607 -3.705 -4.077 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 -7.572 17.090 -7.541 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 8.841 8.089 17.898 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 -3.497 4.446 -1.067 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 -10.509 2.400 -9.465 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 5.741 10.504 9.868 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 -2.480 -1.880 -0.679 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 5.571 9.073 5.871 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 8.701 1.231 -1.967 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 4.508 11.015 2.948 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 8.705 5.563 4.464 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 27.592 12.784 3.080 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 -3.296 5.035 2.111 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 2.438 6.316 8.971 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 0.426 7.615 14.530 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 -1.981 1.218 -1.194 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 -2.009 -6.135 -2.271 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 24.087 16.366 9.379 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 -2.347 -3.768 1.755 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 15.052 -11.983 -5.320 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 -34.228 -0.879 3.743 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 -3.687 -1.422 -1.274 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 40.897 12.867 -0.224 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 -3.990 -4.841 -8.402 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 -4.165 5.818 -0.715 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 -3.567 7.843 -2.710 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 -10.728 12.865 -17.959 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 -2.242 -4.656 2.029 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 -2.418 -8.159 1.248 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 -3.960 -1.754 2.625 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 -2.977 3.957 7.862 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 9.552 3.215 -1.190 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 -23.966 -8.222 15.663 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 -0.613 -2.034 -6.338 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 -16.877 -9.187 10.972 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 -10.154 0.408 -10.039 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 -2.518 0.495 1.185 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 -3.308 6.864 3.071 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 -0.884 -23.631 -3.198 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 -0.438 2.584 4.921 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 -0.662 5.159 -3.815 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 -1.597 -0.227 -1.144 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 -0.767 3.465 5.391 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 7.746 22.061 5.401 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 3.239 -21.323 1.609 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 -0.152 4.535 -2.584 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 7.303 22.930 14.806 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 -0.672 -16.899 9.404 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 9.166 3.476 0.770 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 -1.308 13.696 5.420 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 8.597 4.220 1.308 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 3.802 6.252 4.545 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 23.604 0.308 -14.204 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 0.744 7.384 5.193 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 0.871 0.817 -2.788 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 4.769 11.147 -16.140 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 5.163 1.099 -10.488 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 -1.559 -0.611 4.407 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 -0.160 4.146 9.114 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 16.655 -16.877 -2.347 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 2.645 -5.366 2.729 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 1.740 -11.848 -4.516 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 1.020 6.626 -0.395 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 -0.571 0.213 -2.079 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 12.974 15.072 -3.628 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 -4.431 -10.632 -23.134 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 2.593 5.977 0.647 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 3.409 11.348 -17.238 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 2.975 6.531 -0.993 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 0.849 -2.394 -5.031 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 -15.278 -13.334 15.929 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 6.934 2.499 -13.390 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 4.546 10.422 5.217 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 5.726 21.531 -2.243 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 14.996 10.422 8.608 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 -0.228 0.047 -6.029 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 -8.158 -1.536 11.156 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 0.538 -14.227 -13.048 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 1.739 -1.797 -6.583 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 18.805 -14.116 -1.328 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 0.629 -1.533 -0.066 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 2.658 0.988 -4.517 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 -2.986 10.063 -9.318 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 9.469 7.943 -9.190 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 -0.475 -4.867 -6.954 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 13.144 -10.159 -8.692 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 -2.055 -3.237 -10.150 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 0.578 1.117 -1.806 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 -21.802 15.790 -7.400 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 -9.832 8.001 -10.893 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 -5.410 -1.426 -9.189 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 2.762 -0.324 -10.856 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 -13.748 -12.745 -8.182 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 3.550 -2.372 -4.327 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 12.244 4.933 -21.067 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 -9.084 -10.532 -35.537 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 -2.426 -0.366 -0.012 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 13.078 -8.219 -23.368 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 -21.328 -21.781 16.067 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 -0.303 1.464 1.271 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 6.283 13.678 1.138 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 14.374 5.315 11.861 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 -8.430 5.273 -2.453 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 6.508 -14.788 -7.461 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 7.171 -21.683 -19.392 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 -2.985 -7.306 -6.468 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 -4.757 -1.809 -2.991 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 6.506 -6.613 -23.662 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 -0.482 3.769 -1.258 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 -31.928 20.577 5.045 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 -29.926 -9.670 22.408 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 -4.064 2.865 -1.087 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 12.300 -13.876 14.502 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 9.217 2.791 -2.242 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 -5.360 -7.208 2.318 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 -8.564 -4.115 -7.284 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 -4.423 -4.756 34.122 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 2.564 2.427 -2.084 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 -6.837 10.896 25.264 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 1.448 2.676 0.285 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 3.454 2.284 -5.903 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 -8.708 1.086 11.885 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 -6.843 -16.401 -3.713 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 -3.037 2.322 -5.653 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 0.350 3.336 -8.203 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 10.583 -5.731 5.022 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 -6.670 2.312 -6.284 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 -42.202 10.172 -14.716 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 -11.946 3.311 -7.298 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 -3.473 4.361 2.519 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 -8.130 19.777 4.565 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 -4.099 -1.137 -10.364 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 6.112 -3.986 -5.318 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 5.198 9.396 -5.826 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 -9.675 -1.447 -17.794 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 -4.290 -2.127 5.090 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 15.457 -6.991 9.652 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 -1.440 -10.411 22.076 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 6.212 3.018 0.881 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 4.399 2.484 2.019 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 2.197 1.676 2.865 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 -0.104 -1.069 4.184 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 -4.337 -0.013 11.399 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 1.588 -2.523 -1.071 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 -2.232 4.474 -0.894 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 -15.347 -3.965 4.453 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 6.939 9.583 -0.149 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 1.780 -0.574 -1.812 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 -2.511 3.984 -3.323 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 5.587 -12.565 -8.112 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 -0.869 2.288 5.642 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 -4.253 -9.478 20.587 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 -10.777 -19.250 -26.105 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 5.459 2.454 4.038 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 11.775 23.598 9.263 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 -2.113 -3.974 6.936 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 -3.287 -2.777 -4.486 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 16.383 6.013 2.623 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 -3.184 -1.171 -26.885 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 -1.678 -6.024 5.787 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 2.569 5.815 -0.756 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 13.901 7.135 11.589 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 3.031 -0.112 -6.161 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 35.331 -5.757 33.933 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 -26.124 9.806 -2.225 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 -0.790 5.265 6.127 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 1.072 -24.376 11.336 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 -12.752 -1.163 1.093 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 -3.764 -4.898 -1.429 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 2.257 5.772 1.202 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 -16.634 -0.847 6.697 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 2.164 5.638 0.075 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 11.678 -2.090 -0.482 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 -7.041 -6.661 7.711 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 -4.790 -8.221 -5.653 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 1.594 -8.178 -9.775 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 -20.231 -4.889 3.500 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 3.574 -10.109 0.513 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 7.253 -9.270 -2.527 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 9.218 -7.042 2.130 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 5.686 2.319 -7.614 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 0.058 -19.657 11.010 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 1.328 8.880 12.302 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 3.747 8.383 -5.728 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 -20.209 4.971 24.553 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 -15.347 -19.128 -21.576 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 0.763 0.391 -7.123 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 3.994 -10.946 -15.259 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 -20.944 11.498 -21.914 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 1.807 4.960 -0.515 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 1.834 22.183 22.498 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 21.749 -9.034 2.856 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 -6.441 0.748 -1.774 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 -2.704 0.224 -2.509 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 8.265 8.091 -5.866 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 0.962 1.103 0.833 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 0.422 4.766 -1.473 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 -3.190 -4.193 0.715 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 -7.870 -0.611 -2.343 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 -16.367 -14.566 1.672 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 -11.131 -9.155 -2.438 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 2.658 0.434 -0.439 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 10.095 -9.519 12.955 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 -3.360 3.330 12.905 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 -4.102 -2.095 2.155 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 26.848 7.824 13.554 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 13.476 22.243 -2.173 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 -0.065 3.379 -5.825 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 -5.226 27.689 2.567 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 -18.168 -7.985 -15.830 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 -5.632 1.661 -1.837 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 -12.367 6.265 -1.366 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 -10.458 -10.248 9.120 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 -0.028 -0.315 -1.184 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 3.718 1.455 -6.374 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 8.470 0.367 -11.792 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 -2.040 -4.982 -2.350 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 -8.963 12.747 -0.208 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 -23.619 -10.427 -3.071 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 -3.768 -2.513 -1.275 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 -1.462 -1.076 -5.463 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 -18.893 -3.164 -0.703 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 1.652 2.994 -2.372 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 1.969 5.637 -11.731 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 -0.976 -3.154 -3.521 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 -1.529 -8.505 -2.954 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 -4.843 0.243 -4.405 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 -1.883 -8.159 6.334 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 -0.667 -0.242 1.441 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 -1.968 20.670 -12.940 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 15.048 -24.112 2.486 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 -2.075 0.381 0.912 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 8.242 -5.801 8.737 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 5.189 9.467 -6.017 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 1.047 1.573 -2.089 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 21.982 2.163 -4.450 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 27.835 -38.812 -3.163 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 1.135 -5.472 -3.507 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 -15.600 16.801 -14.957 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 8.702 24.229 5.762 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 1.643 5.824 -10.201 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 -11.727 7.651 -9.188 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 -1.549 8.072 7.757 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 1.678 -3.091 2.404 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 -11.606 0.542 8.638 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 1.926 0.024 -16.516 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 -3.206 -3.165 2.553 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 -8.757 -3.702 8.345 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 -7.844 -15.235 29.107 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 -1.448 -0.393 -0.201 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 -25.522 10.956 28.321 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 -4.484 6.654 5.250 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 -9.285 -1.048 2.759 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 -4.544 -22.933 13.849 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 -1.322 -0.153 -14.503 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 -1.610 0.744 -0.435 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 -4.652 -11.155 -7.698 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 -9.012 26.449 7.615 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 -1.565 2.252 9.565 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 4.055 7.747 10.215 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 -3.326 -0.837 11.307 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 -4.630 -0.948 8.023 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 -11.608 0.562 -32.226 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 -18.607 22.628 35.125 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 7.241 6.754 -4.422 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 -10.751 4.908 -2.012 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 -9.259 19.337 -0.065 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 -2.583 1.899 -1.979 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 11.052 13.317 -9.756 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 7.043 -4.019 0.416 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 3.113 -2.783 -1.413 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 7.002 -3.039 -5.212 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 6.674 0.369 -6.235 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 -0.654 -1.579 -1.967 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 7.294 -7.416 -0.113 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 -5.036 1.199 5.008 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 -6.172 11.981 -2.631 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 -23.003 -5.743 0.764 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 3.861 5.471 4.780 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 4.555 2.576 -2.398 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 8.174 4.811 -7.039 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 3.640 13.435 5.106 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 6.033 -2.003 0.071 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 7.171 -11.404 -7.674 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 7.116 3.408 -7.940 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 3.912 -2.056 1.013 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 0.140 -20.739 0.763 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 2.607 -5.779 -1.278 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 1.009 1.994 3.294 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 2.001 2.946 -3.565 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 3.946 4.963 -8.992 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 6.595 -2.584 -0.791 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 1.035 -0.282 -1.098 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 2.632 0.042 -1.182 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 -0.397 -5.841 -1.548 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 7.289 0.351 -3.911 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 -6.254 -9.287 -7.472 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 -3.485 -2.620 3.708 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 -4.598 -7.780 9.105 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 1.369 0.543 7.569 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 -2.086 -6.293 -4.405 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 -36.301 15.658 14.526 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 -16.402 -20.283 -17.886 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 -8.140 -5.608 2.680 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 -23.075 -20.382 -16.418 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 -3.680 -28.661 6.423 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 -6.587 1.980 -9.837 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 -3.136 0.694 -2.754 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 -1.057 0.409 -10.759 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 3.755 -1.341 2.235 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 -0.390 -9.442 4.314 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 -0.321 -29.574 -12.406 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 0.972 -2.655 5.883 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 13.448 14.944 -3.093 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 4.740 -4.444 3.707 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 -7.452 -0.105 1.333 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 10.739 -5.195 -25.486 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 -15.251 7.204 6.226 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 2.238 -0.491 -3.910 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 -9.843 -4.717 -6.045 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 2.609 -3.120 18.733 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 -0.864 1.605 -3.611 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 2.880 -10.099 1.102 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 -3.735 13.048 -4.819 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 -1.356 -0.474 -8.513 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 -19.504 -0.100 1.750 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 0.858 16.893 -10.313 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 1.938 -7.196 4.210 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 9.006 -13.462 12.107 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 17.326 -7.274 24.071 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 -4.392 1.344 2.922 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 -9.872 -9.675 7.268 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 -16.553 -4.383 16.604 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 -0.547 -0.034 2.903 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 -9.631 13.933 -2.060 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 5.688 -0.883 17.199 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 -1.164 4.814 4.562 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 -4.614 5.130 -3.710 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 14.456 -3.968 16.672 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 1.832 3.450 2.776 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 -4.551 42.854 18.106 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 5.661 -22.877 -2.504 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 -5.157 5.970 -0.149 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 -15.171 0.460 -32.589 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 -29.920 5.183 -0.312 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 10.197 -3.421 -2.270 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 32.184 -3.844 -3.131 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 19.150 -14.855 -9.310 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 2.346 5.122 1.530 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 8.154 18.957 -6.080 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 5.176 -10.068 -3.026 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 -4.070 2.497 -4.290 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 -12.951 -7.819 15.814 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 -2.795 4.818 -7.522 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 2.709 2.737 2.578 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 5.989 0.494 1.403 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 9.163 10.336 1.281 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 5.747 -7.437 -0.415 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 24.101 -23.703 -12.295 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 -5.769 5.211 -24.552 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 -3.451 -3.858 -0.029 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 -6.279 5.000 -8.402 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 -18.081 -5.299 -6.876 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 -10.435 -2.936 2.711 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 4.937 -2.150 4.706 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 7.621 -5.457 15.250 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 -1.751 -7.026 0.238 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 -3.924 15.098 -2.175 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 -5.298 5.459 3.632 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 0.725 0.784 -1.373 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 -1.559 23.494 2.856 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 0.341 -10.902 -10.179 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 1.679 -2.220 5.624 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 -4.149 -3.409 11.386 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 8.585 -11.423 -6.075 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 -3.392 -1.137 -5.708 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 -11.598 3.780 -16.252 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 8.571 1.396 -14.623 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 -0.794 -6.274 0.099 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 -1.314 -14.320 32.096 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 0.534 26.874 -8.332 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 -1.409 4.210 -4.264 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 -1.934 20.194 -18.245 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 16.160 8.776 -7.046 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 1.321 3.260 4.437 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 -21.555 5.690 -0.222 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 10.005 -15.833 -2.279 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 -1.999 -2.226 -0.769 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 0.621 2.079 -1.850 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 -3.706 -11.375 6.613 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 3.057 1.676 2.550 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 -10.491 -14.815 22.223 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 -13.010 13.449 7.764 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 -8.201 -1.397 -4.860 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 -0.329 -8.342 0.716 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 -12.608 -12.221 11.479 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 -4.190 -1.110 0.920 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 6.833 -4.680 -13.244 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 -7.670 -17.268 7.887 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 5.281 5.817 -2.290 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 3.059 2.608 -6.463 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 4.255 5.220 -2.636 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 6.039 -1.567 2.155 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 -13.122 0.793 9.880 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 12.500 9.204 -13.320 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 6.946 1.338 -5.706 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 18.873 -0.154 -19.238 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 8.520 5.088 -3.881 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 4.141 1.535 5.770 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 12.776 10.028 -14.876 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 -24.991 19.293 10.350 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 -1.859 -1.764 1.116 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 7.489 -10.612 -10.155 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 29.184 -12.603 -10.441 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 4.570 4.791 4.202 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 32.612 -11.088 5.896 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 -33.474 -6.439 19.092 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 -7.755 -4.567 -8.501 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 -9.565 2.448 11.304 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 19.506 -5.715 -15.728 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 1.231 -0.811 4.974 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 -7.361 -5.879 -3.244 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 7.894 19.344 -6.518 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 -1.330 -0.638 1.558 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 9.084 -11.967 7.135 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 4.219 9.087 -9.987 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 1.821 0.949 1.283 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 2.167 -7.046 1.866 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 3.294 -4.608 0.582 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 1.627 -4.273 -4.834 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 11.835 -13.070 -7.199 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 -0.669 7.905 -12.679 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 -3.625 -0.078 -1.850 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 -7.586 -3.162 6.031 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 0.842 -9.468 -4.804 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 2.120 -7.139 2.955 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 -12.782 -7.214 -6.613 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 7.110 25.529 -1.960 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 -2.130 6.898 0.874 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 -2.854 5.646 -2.241 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 -7.279 3.771 -23.792 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 4.683 6.656 -0.140 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 2.453 23.385 -15.277 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 12.681 1.101 -17.683 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 1.323 -5.189 5.778 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 15.290 0.249 -3.491 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 0.599 -22.800 6.723 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 2.470 -4.207 -1.094 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 -5.348 1.290 4.526 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 -1.396 -11.750 -24.431 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 1.225 0.071 0.588 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 6.688 -12.735 8.073 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 5.539 -4.338 14.336 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 -2.362 -0.182 -1.540 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 -8.240 -13.424 -21.569 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 -24.341 12.754 2.306 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 0.050 -1.946 7.964 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 5.290 -5.690 -15.084 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 -8.906 -5.289 -0.828 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 3.108 -3.529 -2.871 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 5.610 -0.733 2.574 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 6.292 -1.049 -6.907 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 -0.159 1.960 0.607 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 -10.022 -6.184 -12.684 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 -16.885 -13.926 -14.672 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 1.146 -0.645 -4.184 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 1.058 13.098 10.149 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 0.143 -18.971 -6.526 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 2.437 9.154 8.998 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 -2.140 6.628 9.662 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 -3.765 -5.519 6.160 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 0.193 1.960 -6.068 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 2.197 -10.875 4.228 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 1.529 4.757 16.937 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 3.001 -10.400 -0.456 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 1.425 -10.516 0.302 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 1.109 -4.836 -6.548 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 3.766 8.234 5.394 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 -2.029 8.566 0.583 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 6.241 8.463 9.279 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 -2.935 -5.388 -2.243 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 -8.487 10.248 -3.991 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 -51.758 21.477 16.994 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 0.997 -4.172 -6.282 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 -16.899 4.678 -31.077 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 -5.617 7.376 -15.730 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 2.219 -0.733 0.792 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 -23.521 -10.826 17.073 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 2.749 -13.500 24.551 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 -4.335 0.581 -3.012 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 -1.291 -2.459 -21.028 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 -4.483 -16.324 3.611 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 0.878 -1.264 1.060 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 -17.316 -12.554 16.027 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 -23.603 1.387 16.084 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 -10.001 5.868 0.345 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 -7.327 12.641 -0.999 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 -12.991 8.605 7.660 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 -7.442 -1.502 -4.669 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 -14.429 -7.939 0.924 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 13.320 -3.664 -12.640 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 -1.375 3.588 0.567 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 -3.728 -1.649 -14.744 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 14.854 8.126 0.330 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 -9.384 -1.861 -3.291 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 -21.115 -6.241 -4.987 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 22.054 11.348 13.734 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 -2.692 -1.711 -0.983 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 -0.834 -13.864 -24.824 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 -2.194 1.826 9.896 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 -2.985 -3.932 10.680 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 -12.179 -2.902 -4.335 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 -16.575 -1.183 4.666 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 -3.841 -2.811 2.302 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 8.188 -5.870 -6.475 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 -6.772 12.945 -12.419 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 1.663 -7.978 9.307 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 -8.529 -25.478 -1.129 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 -10.744 6.785 5.372 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 -2.871 -4.810 1.307 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 -8.207 7.999 3.314 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 7.978 -19.289 5.419 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 0.279 -1.952 -4.193 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 -0.675 14.081 -15.090 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 -0.396 -20.089 10.630 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 -0.164 -0.119 -5.563 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 -25.170 -13.970 -7.248 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 -0.942 19.718 1.146 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 0.643 -1.931 -1.805 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 -13.504 -14.159 -15.558 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 2.556 -11.540 -7.789 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 0.457 0.110 -3.565 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 32.029 -37.626 -9.020 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 16.463 7.795 -14.566 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 -2.092 -1.838 6.293 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 -4.340 30.499 -41.176 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 -2.367 -12.492 23.091 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 -1.373 0.238 -5.077 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 -4.560 -5.617 12.854 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 5.919 18.538 4.547 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 -1.792 -2.295 -4.455 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 7.728 11.635 7.008 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 -16.761 -9.325 7.312 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 -6.960 0.153 1.199 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 -5.105 -1.084 0.155 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 -6.397 0.870 -5.341 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 4.958 -1.529 1.792 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 1.880 -9.948 4.860 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 23.105 5.637 -11.468 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 3.897 1.781 6.054 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 -0.699 10.241 -14.061 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 6.962 2.357 2.059 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 -3.956 2.286 -3.160 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 -11.218 16.936 -0.883 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 7.932 11.421 -2.833 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 5.139 -1.722 2.062 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 5.340 -1.942 1.643 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 11.724 -5.401 -5.686 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 -2.601 5.170 -4.327 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 -20.038 15.074 -16.408 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 13.159 -4.647 6.032 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 -0.997 -0.284 3.042 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 -3.293 -2.612 0.829 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 -2.452 7.103 3.098 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 3.590 -2.415 -6.904 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 2.813 -9.452 -20.729 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 -3.510 5.331 17.787 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 0.696 -3.392 -6.623 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 -37.599 2.514 -16.622 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 -12.417 15.979 -0.538 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 2.772 0.882 -0.548 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 0.248 12.922 -9.932 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 -13.588 1.450 -4.658 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 2.158 -2.017 -3.517 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 -2.094 16.066 7.351 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 8.276 -20.395 -2.945 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 -3.884 -2.621 1.457 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 -3.251 1.521 3.986 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 -12.175 -18.425 -14.439 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 -1.539 -0.359 3.658 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 -5.198 -2.460 14.827 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 -1.468 15.128 -9.933 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 -2.105 -0.643 -9.510 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 -0.869 17.083 -12.924 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 -5.196 6.886 -4.049 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 0.032 1.013 -2.833 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 12.236 6.153 -3.215 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 -3.792 -2.136 -12.525 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 -10.132 -2.849 -1.797 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 -7.213 -15.795 0.097 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 -7.753 -4.361 -9.686 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 -5.809 4.776 -2.463 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 -16.709 2.133 3.829 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 -0.122 15.633 4.436 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 -5.311 4.204 -4.148 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 -16.794 -6.205 1.493 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 5.514 13.264 -9.489 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 -3.810 -1.275 2.002 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 14.668 -0.337 1.818 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 4.322 3.093 0.770 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 2.820 0.622 4.069 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 2.987 22.688 3.479 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 19.245 -8.705 8.575 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 0.255 4.003 -9.392 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 -14.358 11.076 4.249 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 -4.931 5.468 -13.142 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 4.560 1.357 -1.704 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 20.430 7.912 -8.156 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 -8.028 0.453 -20.697 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 -3.078 -0.101 3.503 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 12.240 -1.126 4.264 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 0.115 19.780 6.243 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 -6.009 0.537 4.163 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 6.423 -15.406 -30.223 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 -4.663 -3.406 -1.098 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 -2.700 -0.877 2.520 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 -11.341 -10.426 -13.916 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 -3.284 -4.558 -8.750 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 1.954 2.138 1.009 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 -17.572 11.418 -14.139 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 -8.339 -2.396 22.476 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 -1.819 -3.054 -7.257 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 -0.094 -5.111 -6.513 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 -19.897 -7.452 -31.936 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 -4.404 -1.125 8.231 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 26.595 30.001 17.098 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 -4.330 -15.607 -14.844 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 1.707 -0.371 4.858 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 3.418 1.024 4.917 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 2.459 0.987 6.013 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 -0.127 -1.996 2.991 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 -20.256 -10.179 9.698 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 -1.380 4.907 -17.148 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 -1.978 -3.661 -0.373 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 -2.203 -13.050 -24.633 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 5.244 4.051 9.559 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 -3.645 5.903 11.911 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 -0.109 -7.510 -9.963 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 1.117 3.382 4.941 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 -6.075 -1.919 -0.038 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 -7.917 -13.083 -7.605 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 -15.261 2.663 11.234 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 3.107 -5.897 6.324 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 -14.074 2.777 21.943 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 -13.164 3.782 4.868 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 5.292 -8.297 -7.143 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 14.532 -25.114 -23.711 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 7.988 -11.281 -11.428 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 -1.725 -1.519 4.752 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 -5.501 -2.280 0.398 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 -1.417 -3.419 2.939 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 3.117 0.661 -1.566 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 2.182 9.094 18.726 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 -12.783 -5.027 -15.469 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 -4.235 -0.636 -6.511 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 -10.979 -1.461 17.163 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 -4.671 7.033 -20.478 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 4.419 2.533 -0.694 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 3.597 2.956 0.505 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 2.229 13.193 17.686 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 8.349 2.641 2.744 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 -13.081 -11.213 17.248 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 -9.567 -19.028 19.731 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 0.946 1.041 -11.077 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 -1.461 13.462 -3.115 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 -12.408 -6.898 16.107 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 -2.958 -5.639 -0.582 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 -15.936 0.753 5.766 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 -9.049 -14.857 -17.591 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 1.541 -4.803 0.346 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 -12.774 -3.097 8.733 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 -22.458 -23.616 -14.764 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 0.371 -5.350 -1.412 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 1.382 -3.693 1.657 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 -3.829 7.547 4.549 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 4.244 -0.034 3.362 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 14.661 17.322 -4.504 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 17.656 2.764 2.598 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 -3.083 0.142 3.269 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 -0.776 1.720 2.290 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 -15.490 -7.565 8.368 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 0.622 -0.965 -0.707 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 -12.672 -10.625 -3.095 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 -5.587 -7.907 -0.407 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 6.727 0.557 -7.829 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 3.323 7.432 9.519 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 12.255 20.440 -27.330 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 -0.961 6.456 -2.361 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 10.668 -4.466 -21.998 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 -17.094 20.995 -11.730 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 0.300 1.561 -1.853 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 -5.341 9.144 24.304 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 -20.354 -2.606 3.120 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 1.255 3.932 -7.644 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 -18.974 11.071 14.315 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 -9.053 0.379 -6.521 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 -3.899 0.143 -0.923 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 -4.774 -1.141 0.050 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 36.679 6.643 16.040 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 6.895 7.116 -2.682 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 8.124 -0.982 4.351 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 -8.663 -10.800 6.483 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 -0.494 -6.136 -1.193 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 11.924 -7.613 21.281 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 13.646 -4.169 -14.339 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 -4.577 6.111 -1.317 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 35.181 16.502 1.405 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 -5.936 9.916 -15.684 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 -4.074 -1.714 3.683 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 8.025 -7.561 3.552 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 -26.094 -1.982 -17.002 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 0.401 -0.415 2.548 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 -10.772 -6.675 0.249 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 -5.130 -19.095 -3.735 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 -2.871 1.571 -7.299 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 -2.721 -10.766 -0.905 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 -8.960 1.679 -11.747 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 0.569 -2.092 3.853 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 -11.815 -19.607 0.550 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 12.019 6.061 4.723 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 -1.771 0.862 -0.756 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 10.109 -3.440 -9.564 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 -28.771 22.605 8.014 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 -6.152 -7.017 7.293 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 -5.275 1.153 2.713 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 -11.847 -2.502 -0.533 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 0.617 -3.046 4.107 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 5.469 -15.097 1.841 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 -5.304 7.008 -9.077 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 -6.976 1.515 -0.325 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 -5.255 8.299 -1.909 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 -3.619 1.707 3.293 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 -7.602 9.292 -8.088 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 -40.401 -19.236 8.954 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 39.259 -14.308 -11.758 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 5.695 2.199 -1.599 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 -4.363 8.855 -9.789 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 -22.558 10.218 -13.165 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 -3.560 -3.921 -4.161 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 -4.629 -12.035 -4.556 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 -2.441 -18.543 -3.403 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 3.842 -0.411 3.810 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 3.507 -1.149 2.595 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 16.813 -5.327 16.889 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 5.237 2.545 0.046 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 15.029 -0.270 -0.867 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 2.260 -6.178 3.115 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 0.819 -2.349 4.635 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 23.058 -8.467 -2.778 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 1.941 14.355 20.318 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 5.058 -2.324 0.323 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 -0.322 -5.611 -1.633 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 1.192 0.411 10.614 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 -3.065 -1.470 4.627 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 -24.096 -15.485 0.210 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 0.031 11.760 -16.719 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 2.264 -6.754 1.400 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 6.946 4.337 -0.737 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 -0.382 -15.787 0.881 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 -7.592 -5.648 0.588 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 -34.164 -2.149 -7.585 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 -29.203 -0.609 -8.764 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 -0.130 -4.274 -5.814 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 -1.415 -23.259 -3.449 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 -6.925 3.058 12.685 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 -3.512 -0.425 8.513 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 6.159 -11.391 1.084 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 -12.053 -15.424 0.676 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 2.507 -6.227 -2.291 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 -20.419 -0.660 -0.353 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 6.707 9.364 6.875 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 -3.743 3.150 4.666 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 15.081 1.104 10.687 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 -14.027 12.421 8.768 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 -6.207 2.051 1.154 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 -5.638 7.458 -4.568 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 -6.810 4.644 0.739 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 6.371 -1.989 -0.070 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 -8.747 0.366 8.013 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 3.737 -0.366 2.046 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 1.470 -6.377 4.711 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 4.863 -13.906 10.736 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 -6.268 6.651 5.987 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 -1.888 0.245 3.546 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 7.550 -16.882 -3.664 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 6.004 -0.499 23.382 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 -0.212 3.784 -2.573 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 -2.070 -10.580 25.510 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 -11.651 15.575 13.727 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 -11.285 0.103 -3.394 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 -8.754 -28.950 -9.750 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 16.476 9.438 2.832 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 0.025 -0.698 -0.882 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 7.037 -21.977 -0.760 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 -1.486 5.033 -0.833 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 3.472 0.035 1.540 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 18.291 3.157 0.448 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 -8.745 -0.509 3.116 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 -4.558 2.203 -3.430 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 4.238 -6.365 -3.642 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 -2.611 -11.277 4.528 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 0.490 0.146 1.549 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 7.548 17.196 -9.187 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 -3.867 -10.668 8.960 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 -2.716 -2.661 4.813 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 -2.789 28.154 -0.116 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 -3.941 14.941 4.765 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 -0.638 -11.723 -5.288 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 -7.111 -7.856 -3.121 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 -0.547 -11.483 7.633 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 1.766 -0.175 0.986 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 -31.827 8.721 11.766 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 4.589 0.620 -3.714 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 3.533 -4.344 -0.158 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 11.162 -9.621 7.709 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 1.530 19.346 6.592 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 -1.363 -0.281 -1.779 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 9.160 -8.423 9.357 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 9.457 -9.743 4.009 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 -1.545 2.745 3.600 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 -22.874 -8.746 13.683 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 -8.749 15.838 0.855 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 -1.672 -0.244 7.197 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 -14.530 -10.608 8.448 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 -7.736 7.606 16.492 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 2.644 1.592 9.145 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 -14.628 -15.839 7.734 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 21.571 -7.685 -10.930 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 -4.918 2.526 8.489 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 -14.693 -0.701 -7.887 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 -8.311 -11.434 0.078 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 -0.360 -0.202 -3.003 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 -12.990 -7.488 -32.670 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 2.349 -3.342 -9.354 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 -7.963 5.554 -4.558 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 1.190 -15.972 -1.114 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 -11.285 8.019 -6.828 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 2.147 2.717 2.297 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 1.490 9.882 7.262 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 -14.886 -15.567 -3.789 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 2.069 -4.282 -4.372 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 11.767 -33.793 16.407 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 2.300 25.618 20.554 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 1.380 4.912 5.036 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 -1.261 9.517 0.476 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 2.754 2.223 7.752 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 -0.245 -0.578 -0.259 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 -0.235 -0.093 3.209 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 -1.428 -4.147 -5.824 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 5.121 3.550 -8.514 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 -9.606 11.057 -3.202 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 10.517 -6.193 3.971 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 0.041 -1.780 -1.306 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 19.940 -2.252 -13.636 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 -1.943 1.001 -4.059 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 1.240 0.258 -4.696 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 -17.372 9.059 1.241 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 -8.903 5.424 -11.098 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 2.589 -0.562 -5.705 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 14.744 -4.924 -18.917 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 3.124 0.345 -0.808 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 6.465 8.021 4.356 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 -16.501 -11.903 17.618 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 -14.150 -7.193 11.573 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 -4.264 -3.657 10.446 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 -1.169 15.450 -7.159 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 -2.866 10.658 -4.426 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 1.675 7.388 -2.081 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 -2.453 20.769 8.371 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 -8.885 -1.616 1.929 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 0.504 -4.033 0.549 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 -7.410 -2.502 -5.410 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 -3.120 -19.664 -8.772 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 1.614 -4.878 1.016 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 -5.777 2.198 -4.210 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 40.217 -16.545 4.587 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 8.745 -5.372 0.297 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 -11.097 -0.609 0.038 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 -3.920 -30.352 12.568 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 -4.963 7.499 -0.344 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 -2.741 0.730 -3.047 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 -8.683 22.209 1.530 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 1.071 -5.770 3.445 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 32.980 7.199 -3.938 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 -11.727 -13.338 -19.376 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 -1.413 -4.390 4.185 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 14.135 -8.793 2.081 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 11.148 -5.909 -1.155 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 -7.142 -3.405 -3.116 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 -12.436 -6.464 -11.813 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 2.623 10.190 -5.930 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 -0.100 0.418 -3.922 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 0.645 -4.401 5.311 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 -2.481 -12.424 -18.356 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 1.685 -4.211 0.976 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 18.149 28.929 -23.748 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 6.797 -7.395 11.427 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 -3.693 4.498 2.886 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 -3.350 3.574 0.610 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 -6.916 6.553 2.960 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 2.166 4.014 4.717 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 4.915 5.068 4.092 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 -40.697 27.497 16.611 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 2.409 7.117 -4.771 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 8.676 -6.682 -5.441 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 4.966 5.029 19.459 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 -10.969 6.041 1.338 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 -14.961 -3.855 16.351 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 -16.062 22.624 0.004 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 -3.051 2.613 -1.019 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 -10.956 -28.003 -12.274 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 7.147 5.979 10.045 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 3.177 3.248 0.402 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 6.993 -11.928 0.469 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 11.849 -26.586 12.101 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 -7.419 6.582 5.372 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 -7.153 -11.567 14.648 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 -7.841 35.060 -3.234 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 5.021 -0.347 -0.217 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 0.121 20.639 6.434 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 7.045 -14.881 -4.938 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 5.779 3.040 3.480 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 3.507 -13.523 -2.944 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 17.760 4.976 2.995 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 -1.672 -5.166 2.192 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 1.133 3.905 -3.731 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 -10.814 -30.293 -10.358 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 -1.734 -2.406 3.197 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 -13.672 -7.684 -3.888 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 9.062 -7.197 1.165 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 -1.074 4.408 -2.214 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 22.142 21.437 -16.155 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 17.520 21.205 -7.470 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 1.710 7.761 8.817 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 -5.093 -3.072 -3.255 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 -0.842 0.570 6.723 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 0.020 -0.946 2.856 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 -12.672 -1.705 -0.487 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 15.731 1.696 9.409 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 4.577 -3.010 -0.557 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 8.580 15.428 12.780 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 3.465 -13.872 -10.523 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 4.292 2.525 -4.818 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 -11.879 14.319 28.182 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 9.056 8.404 4.112 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 -2.447 -6.274 -5.341 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 2.064 -6.237 -2.049 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 14.002 -0.315 7.920 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 6.042 6.145 -2.640 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 6.458 10.141 6.929 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 15.174 4.784 -4.017 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 6.075 0.346 4.582 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 -18.710 -14.480 13.264 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 50.123 -3.977 -5.462 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 -1.101 -3.900 6.576 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 -4.911 -3.798 5.487 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 1.491 -7.447 5.771 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 1.460 2.718 -4.430 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 7.188 10.938 12.194 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 -5.507 -2.272 8.130 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 1.199 -3.006 -0.881 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 -4.012 -13.854 19.277 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 -10.910 -5.084 -7.209 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 3.032 1.475 2.740 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 6.848 10.105 10.583 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 -17.624 15.931 7.805 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 -8.840 -4.709 -0.544 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 12.281 -12.434 -7.375 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 -1.204 -49.140 -1.812 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 -0.925 -7.132 -6.925 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 11.004 -4.261 -8.725 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 14.709 -7.483 3.694 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 -3.263 3.985 2.288 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 23.590 15.581 2.993 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 -18.469 13.971 -3.941 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 4.473 -2.112 -4.974 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 -10.309 -9.748 5.894 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 -13.046 2.317 -14.210 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 -2.278 -0.492 4.652 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 9.445 21.983 0.896 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 0.093 4.326 -2.895 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 1.574 3.289 0.411 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 9.043 1.309 -3.043 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 5.434 28.293 -7.116 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 -0.314 -4.346 4.698 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 24.353 -3.681 -18.360 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 -8.165 9.915 0.368 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 2.759 -5.485 8.499 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 1.314 2.283 13.772 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 2.187 -22.423 5.760 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 0.154 -0.990 -4.967 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 0.277 -13.368 11.590 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 0.052 2.238 -7.873 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 -7.188 2.231 -2.565 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 4.687 9.682 -10.081 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 7.669 -19.505 1.219 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 -0.610 -3.947 -0.826 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 -5.235 1.758 -8.564 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 -2.909 -4.324 -2.140 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 4.735 3.231 0.960 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 6.106 0.817 27.104 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 -25.930 2.073 -3.706 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 0.225 -4.050 -1.253 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 2.969 0.168 -3.753 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 24.882 22.641 34.880 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 4.689 -1.927 -6.989 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 18.084 6.528 -8.238 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 1.136 8.908 7.568 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 1.228 3.834 -4.035 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 -1.437 -15.145 -8.728 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 3.312 31.258 0.338 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 -7.027 -0.331 -2.414 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 -12.924 14.563 -10.924 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 -9.595 -14.210 -14.222 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 -3.698 -7.792 2.954 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 -17.620 -16.148 4.988 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 11.296 -4.208 10.343 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 -1.785 -5.526 -1.515 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 -1.917 -5.060 -1.854 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 1.713 4.506 -1.171 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 -1.924 -1.838 1.514 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 1.645 -9.324 -5.631 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 0.343 -4.475 -0.944 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 1.202 -5.205 6.861 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 -1.116 -30.316 20.596 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 -3.409 13.388 -9.328 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 -1.562 0.391 -6.421 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 8.919 -6.337 -9.967 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 -1.314 15.028 -19.308 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 0.794 1.188 -3.057 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 -3.938 16.112 0.350 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 18.078 -2.056 5.228 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 1.650 -3.165 -1.825 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 5.803 -9.046 -4.040 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 7.077 -15.665 8.482 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 3.030 0.781 3.586 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 11.293 -5.599 23.656 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 -6.903 -9.196 8.239 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 -3.790 -0.091 3.178 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 5.835 6.550 -2.476 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 -8.635 -8.827 -19.447 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 -4.558 -1.822 -0.186 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 -0.025 -9.569 9.389 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 -0.451 1.043 5.660 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 -5.553 -3.357 -5.264 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 -24.495 7.201 9.431 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 -22.784 -2.925 -5.679 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 1.366 1.748 3.847 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 6.178 3.373 16.574 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 -8.870 0.793 6.419 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 -2.110 0.403 4.301 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 8.612 -1.742 -3.320 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 2.826 6.727 -6.454 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 -6.215 5.696 6.011 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 -10.649 -12.019 -12.136 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 -5.108 9.535 10.214 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 -3.956 -0.975 3.580 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 -4.258 7.860 13.819 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 -4.195 6.637 12.252 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 -1.730 1.470 2.265 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 -13.862 -10.733 0.978 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 3.775 14.891 11.189 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 7.013 2.622 1.309 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 6.340 12.155 -14.542 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 6.970 -7.213 -2.509 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 -1.351 -1.162 2.051 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 5.788 18.317 20.903 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 -4.299 -9.427 12.664 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 -1.331 -1.607 1.784 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 -3.100 -16.933 2.703 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 10.023 -10.484 4.181 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 0.536 5.537 2.901 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 -7.636 -1.119 24.194 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 -4.664 9.875 -6.016 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 5.169 9.545 -3.238 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 2.716 -1.571 -34.238 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 3.336 20.029 20.498 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 -3.851 -0.353 -2.347 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 13.698 -20.059 4.230 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 -21.212 -2.369 6.942 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 1.305 -1.365 3.444 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 2.336 1.661 4.597 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 1.759 -10.579 -12.119 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 0.511 -0.752 -2.325 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 -20.067 -16.616 8.402 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 -17.369 -3.098 -5.624 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 -2.818 -1.949 -1.786 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 7.605 -7.236 -4.282 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 1.384 2.733 1.282 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 5.931 8.927 -1.690 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 -10.840 6.837 -0.137 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 18.145 1.164 -18.178 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 -5.228 -3.589 -3.778 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 -4.521 -15.545 0.836 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 -7.430 -9.006 -5.446 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 0.773 -3.117 -7.464 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 -4.198 5.636 -9.588 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 4.556 -5.527 -8.581 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 -2.301 -1.166 4.912 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 -3.193 -17.617 11.338 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 -11.830 -1.269 11.346 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 -0.128 -4.349 3.479 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 23.576 -0.663 -15.256 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 -18.153 5.263 -32.619 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 -3.156 1.372 -5.965 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 14.914 7.474 3.419 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 -9.114 -2.340 1.514 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 -10.304 -0.339 -5.944 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 1.559 -25.933 -2.792 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 4.467 13.402 1.998 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 6.388 0.307 3.904 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 -5.294 -13.197 21.252 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 14.490 -3.319 -11.485 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 -3.372 -1.589 10.330 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 -4.407 2.646 10.417 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 -4.986 -10.827 15.844 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 -0.635 -0.456 -3.171 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 12.665 -18.554 -18.817 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 -12.531 5.189 -5.100 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 -3.835 -1.350 -0.886 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 9.291 -13.264 9.388 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 -26.687 4.755 18.817 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 -5.165 -3.322 -0.645 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 -11.205 -7.862 -3.541 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 8.714 -16.474 5.200 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 3.341 -1.236 -5.020 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 5.525 1.653 4.394 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 1.780 -2.316 -15.523 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 0.456 -0.541 -3.039 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 9.879 -13.934 6.377 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 -4.986 -0.524 -5.054 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 3.658 -2.068 8.115 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 -21.912 13.395 2.653 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 -20.116 26.305 0.304 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 2.232 -3.333 -4.913 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 0.106 -11.328 -10.420 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 -9.677 -1.282 3.823 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 1.564 2.666 2.900 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 10.662 10.871 -30.075 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 10.409 8.820 11.794 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 5.250 4.123 -1.812 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 -5.662 -4.351 -8.930 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 -18.550 -14.900 -15.032 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 7.090 -0.341 -3.330 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 -8.529 5.999 -6.187 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 17.843 13.910 2.837 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 -4.582 -8.217 2.885 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 -10.647 -3.686 5.193 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 -12.313 4.475 -7.656 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 3.760 7.640 -5.748 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 1.132 18.041 -17.313 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 19.010 -23.315 29.600 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 4.234 -0.455 -6.530 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 7.780 3.279 4.726 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 -7.702 0.052 -7.291 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 -5.932 2.433 -8.307 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 -9.340 -23.685 -0.832 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 -8.575 10.150 -9.001 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 2.480 6.932 2.747 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 -16.281 2.875 -17.353 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 33.653 10.289 -12.603 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 2.627 -1.794 3.830 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 9.952 8.705 8.494 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 13.848 -1.634 14.323 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 -5.689 -5.176 2.379 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 -16.629 -20.194 9.851 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 20.206 -0.620 0.846 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 -0.358 0.228 -0.218 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 -21.033 -12.368 2.366 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 -6.963 15.605 6.619 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 0.647 -2.626 3.827 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 -24.280 -4.156 32.101 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 -15.268 5.961 -13.265 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 3.713 -1.050 -1.455 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 -2.486 7.504 -16.928 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 13.545 8.324 9.686 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 7.185 -4.001 1.074 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 1.553 -13.242 -4.905 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 -1.199 -23.345 -3.375 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 5.920 -0.266 1.739 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 -22.974 10.635 24.050 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 -7.278 7.361 11.496 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 -3.684 4.290 -6.762 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 26.661 8.454 0.781 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 -12.427 6.990 -13.789 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 0.898 -6.647 1.841 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 12.443 -4.193 8.437 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 12.652 2.346 22.197 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 7.900 -2.384 -3.471 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 2.781 12.563 -0.031 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 -5.828 -3.497 11.948 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 -2.790 -4.970 4.164 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 13.167 -27.885 41.077 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 6.204 -17.321 6.320 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 1.772 1.202 -1.431 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 -9.367 -13.338 5.106 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 9.700 -8.669 -34.924 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 6.281 -0.378 -5.275 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 15.024 23.362 -9.221 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 -7.383 12.082 6.510 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 -3.984 0.504 0.092 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 -5.648 -5.069 -5.914 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 3.182 -1.943 1.437 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 3.307 3.010 -9.754 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 3.536 9.548 -12.617 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 23.203 4.334 -1.793 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 0.670 -2.817 -5.277 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 -21.355 11.885 -18.280 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 17.948 2.720 2.917 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 -3.277 -0.736 2.801 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 -1.026 19.595 14.459 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 -2.930 -7.737 6.090 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 2.357 9.776 10.615 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 -11.117 9.879 4.339 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 10.455 16.281 10.564 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 5.645 2.518 -10.143 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 -1.747 -14.782 -17.829 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 17.979 7.930 -2.037 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 4.277 -1.124 1.181 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 4.643 -4.751 -13.872 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 6.249 12.347 3.449 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 -1.375 5.700 4.433 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 4.328 23.530 22.938 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 2.572 -6.700 -11.177 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 1.645 5.137 -2.680 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 6.858 17.045 -7.549 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 -2.990 5.661 2.248 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 -10.057 -1.142 1.409 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 -3.556 -10.864 7.381 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 15.532 3.968 35.741 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 8.885 -3.808 4.841 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 1.667 -6.444 22.004 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 22.325 -20.083 -4.509 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 -4.677 4.086 4.572 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 -11.980 5.274 1.394 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 -2.122 14.590 6.540 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 -7.395 1.985 -2.670 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 -3.933 15.616 -6.252 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 0.728 16.337 9.872 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 -4.138 -4.911 4.732 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 7.621 13.613 3.230 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 -8.411 -15.631 18.310 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 -4.045 1.787 5.524 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 10.062 -15.628 7.704 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 -10.392 22.764 17.438 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 -4.054 2.539 -3.320 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 15.487 -10.199 -17.080 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 -11.943 40.051 3.856 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 1.118 8.845 -1.989 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 -17.925 -23.080 -4.904 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 6.165 0.498 31.916 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 -2.771 -3.937 -0.084 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 1.956 -0.991 10.408 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 2.685 -16.264 -6.417 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 -1.162 -3.055 3.958 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 -24.805 -8.128 2.667 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 -26.129 -4.093 0.146 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 -0.317 -5.497 -8.183 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 -10.864 -16.172 -9.288 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 7.568 1.832 -7.672 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 0.656 0.326 2.988 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 -17.158 6.414 12.726 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 1.252 -7.257 -4.308 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 5.680 -6.315 1.373 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 15.019 -7.460 1.304 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 5.670 -10.374 -6.273 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 -0.493 3.903 2.838 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 25.621 -0.876 40.459 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 -6.451 -3.363 -8.186 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 -0.935 4.072 -2.448 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 3.092 0.416 -1.895 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 -1.753 7.257 -1.033 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 -4.310 4.074 -3.329 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 -4.095 -5.279 -0.609 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 0.704 -4.213 3.359 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 -4.086 -1.091 -2.248 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 1.494 -7.670 -1.093 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 8.977 -5.710 -14.205 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 -4.717 3.418 1.431 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 18.646 5.462 12.277 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 0.764 4.742 4.588 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 -1.896 -5.529 -7.369 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 4.157 15.311 4.260 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 -6.895 -1.851 -3.026 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 6.121 -0.127 -0.153 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 30.314 8.637 -7.765 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 6.279 -8.450 1.914 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 0.483 3.636 4.849 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 4.866 -12.031 -36.349 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 -20.285 8.611 -1.368 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 3.138 6.216 -1.091 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 8.113 10.282 -0.332 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 11.393 12.024 -2.337 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 3.596 8.105 -2.358 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 -18.190 -2.560 -0.106 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 -2.015 17.168 -12.813 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 0.063 1.210 7.147 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 -14.694 2.663 -3.855 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 16.147 -7.501 3.329 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 -0.716 1.689 2.102 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 26.154 -16.550 10.482 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 11.039 11.501 10.777 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 -6.016 -1.425 2.881 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 20.657 -1.964 -8.312 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 -11.585 24.036 -6.240 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 1.103 5.209 -2.122 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 0.239 -6.062 -3.285 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 3.539 -6.690 5.822 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 11.813 -1.806 -0.729 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 5.894 14.532 -0.287 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 23.409 -15.164 -2.115 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 -2.248 4.418 -1.077 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 -1.993 3.354 2.101 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 -2.087 3.663 -3.590 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 -3.527 2.388 -5.324 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 -6.000 9.290 -5.423 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 -6.061 11.215 -7.074 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 3.394 0.623 -0.597 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 -23.174 -20.364 -32.550 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 3.705 7.874 22.821 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 0.244 -0.136 -3.474 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 -0.548 -12.574 12.189 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 12.334 -4.022 -15.853 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 1.472 0.407 1.912 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 -4.332 6.215 33.721 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 18.858 11.494 1.373 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 3.199 0.576 -5.908 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 28.379 -23.828 -19.005 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 -29.245 14.133 -13.128 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 -5.632 -4.839 4.735 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 1.244 -19.663 11.779 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 -6.810 -3.043 2.049 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 3.442 -3.807 -8.496 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 7.070 -0.133 13.409 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 -5.683 9.508 -14.341 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 1.070 1.118 -1.246 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 -5.256 -16.503 -26.730 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 6.552 16.131 2.938 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 -0.439 -1.124 -6.905 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 15.366 -15.082 -27.660 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 -5.481 -9.019 -11.480 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 4.277 2.017 0.629 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 0.163 -11.151 -30.902 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 5.493 2.963 10.406 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 3.274 1.602 1.302 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 -3.451 -5.707 -13.573 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 12.482 -9.517 10.836 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 -4.898 -1.615 1.850 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 -8.158 5.780 7.569 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 -5.229 -5.401 -11.426 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 -0.925 -1.422 -8.905 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 -43.423 -3.455 -26.977 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 -24.336 -4.766 -22.721 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 -3.162 1.214 -2.369 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 -28.315 1.561 -7.519 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 4.746 -2.297 -9.147 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 -2.030 4.004 3.486 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 5.023 -12.254 -4.257 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 -10.366 -4.012 -24.192 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 1.132 -2.417 -7.291 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 6.757 -4.764 -3.771 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 1.760 14.553 -4.323 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 9.378 1.305 -10.158 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 -6.663 -9.762 16.045 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 4.723 -6.073 -2.149 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 -3.943 -3.777 -3.467 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 0.711 -7.276 -5.700 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 -9.856 -2.320 14.808 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 5.421 -1.981 5.111 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 -12.064 11.292 -8.644 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 1.475 4.849 30.978 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 4.531 3.067 -4.837 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 5.513 5.500 -0.073 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 27.697 32.996 -5.465 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 1.790 2.331 1.073 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 10.925 -5.517 -9.751 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 -16.452 14.991 15.341 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 -3.297 -4.082 -1.751 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 -13.173 9.049 -1.728 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 -8.051 -15.663 16.149 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 -4.127 10.129 -1.893 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 0.950 11.604 -4.803 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 -1.656 6.921 5.649 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 0.611 2.144 -6.980 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 1.395 2.219 1.044 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 -6.222 -1.843 -58.848 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 4.970 -3.631 3.589 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 4.222 -4.844 -8.661 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 3.404 -13.176 8.818 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 -2.286 3.397 0.726 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 -22.473 -0.883 -20.821 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 -12.911 -1.484 -12.661 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 -2.728 1.998 -2.210 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 -8.581 1.360 10.512 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 -12.740 -4.763 26.224 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 0.223 -1.985 -0.360 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 10.252 14.559 0.025 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 1.192 -2.040 -0.763 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 6.603 6.850 2.642 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 -6.680 20.355 4.779 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 6.562 6.596 2.369 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 -4.281 1.807 -3.151 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 -3.510 9.206 -4.069 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 7.376 -0.148 -15.932 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 0.497 4.128 -5.970 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 -38.575 -2.473 4.093 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 15.002 7.809 -10.750 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 -0.100 8.095 0.317 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 5.468 -0.698 5.824 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 -18.553 8.385 -13.184 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 -0.132 -3.904 -1.208 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 1.088 -13.174 12.215 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 -8.173 -11.959 -12.826 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 -0.372 3.762 -0.311 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 -4.911 17.288 0.217 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 8.291 -8.429 1.019 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 1.826 -1.123 -6.839 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 2.191 -2.853 23.907 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 -19.559 25.315 -6.293 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 1.260 1.911 -0.727 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 19.850 16.833 18.251 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 4.087 -10.511 -3.169 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 0.280 7.731 -4.945 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 3.862 6.261 -10.557 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 -7.172 10.370 -0.878 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 -3.108 -4.960 -3.641 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 1.087 -48.758 11.065 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 -4.776 10.799 -9.482 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 3.417 -0.769 -5.844 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 7.031 -2.513 -12.246 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 3.878 -4.036 -19.797 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 -3.215 3.968 -3.806 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 -5.016 -3.667 -2.046 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 -18.766 -10.516 -4.554 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 -1.343 1.999 2.318 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 -7.339 6.418 3.262 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 1.588 10.757 3.565 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 0.364 0.885 0.438 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 -2.115 3.074 -12.345 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 -3.732 -2.290 18.396 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 3.643 4.931 0.783 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 -19.226 1.951 13.120 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 13.230 2.903 -11.847 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 2.911 10.910 -1.730 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 -16.977 -0.331 5.012 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 3.193 7.805 0.910 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 -2.091 -5.259 0.096 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 -30.720 -33.917 -0.776 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 20.114 -0.641 1.845 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 -5.621 0.848 0.056 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 12.048 -0.205 -13.593 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 -0.295 -5.096 -4.699 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 0.816 -1.879 -3.409 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 2.183 2.639 -2.946 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 -6.468 1.077 -5.691 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 11.444 5.563 8.284 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 5.905 34.981 2.605 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 7.058 -9.590 11.502 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 -9.001 -0.130 -1.340 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 25.350 -15.440 -1.529 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 -1.596 -17.239 -9.051 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 4.296 -4.115 5.527 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 8.311 17.290 0.801 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 2.671 -20.399 7.465 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 3.624 2.731 4.272 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 -9.851 -10.367 -15.132 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 14.260 27.145 -9.431 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 3.465 -7.980 -0.671 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 -0.180 -15.504 12.403 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 9.569 -4.835 -6.158 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 -3.542 3.468 -1.349 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 -11.116 9.169 12.568 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 -3.955 -7.366 6.161 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 -4.725 0.684 2.992 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 -22.765 5.400 -34.726 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 -1.333 -11.305 1.725 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 -4.168 1.259 3.809 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 -2.613 5.581 -4.816 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 -22.617 -10.487 12.082 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 6.833 6.593 -10.138 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 3.899 9.811 -6.808 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 3.777 7.993 7.889 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 -3.446 12.274 -2.196 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 -22.389 -3.494 6.206 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 -9.774 -12.565 11.973 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 -4.139 1.293 0.903 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 3.039 0.038 -6.510 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 -8.467 -6.758 -0.294 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 5.537 6.307 1.010 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 -0.465 -13.997 -4.222 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 -3.623 -2.784 11.257 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 1.955 3.857 -2.315 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 17.778 9.933 0.431 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 -4.256 21.261 -3.562 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 -2.265 -2.601 2.999 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 3.875 -1.523 1.919 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 -3.639 0.744 11.108 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 1.134 -11.567 -1.879 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 -4.349 9.499 5.122 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 -14.324 -19.300 -11.298 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 1.390 0.820 3.051 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 -8.749 -0.123 -16.296 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 8.310 3.097 13.395 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 -4.935 7.249 4.732 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 3.517 5.727 17.955 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 3.058 3.030 10.467 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 -3.859 0.879 6.943 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 12.210 14.178 -2.745 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 -10.246 -14.130 -10.216 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 6.232 -2.618 -1.712 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 -3.742 -1.116 -5.040 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 5.457 -0.756 -0.979 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 -2.142 -2.380 -6.590 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 2.073 -3.854 12.186 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 13.713 -2.308 -19.246 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 1.801 2.346 -4.240 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 -13.302 -20.359 -8.156 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 -20.654 0.771 2.803 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 0.569 6.007 5.485 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 1.215 7.380 7.649 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 0.005 2.391 5.290 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 1.342 1.398 0.220 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 -1.621 -6.219 -2.865 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 -5.300 -9.041 -0.192 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 4.273 0.516 7.771 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 23.650 -1.018 -0.223 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 -4.945 7.547 22.549 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 0.205 -6.129 -2.967 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 -3.566 -2.155 -9.661 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 10.684 -4.874 -2.746 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 2.452 -4.077 -0.685 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 7.868 4.613 11.530 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 -1.722 -0.144 -19.356 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 -0.255 -1.304 -2.951 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 -4.110 -1.203 -1.735 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 7.723 15.782 11.124 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 0.342 -3.735 4.712 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 0.051 -1.999 2.160 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 0.161 -0.356 5.997 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 0.887 0.310 0.985 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 -7.966 21.455 2.313 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 -3.101 -8.001 -22.817 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 -4.912 1.537 -1.418 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 -13.130 7.245 4.776 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 -6.517 7.467 -13.217 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 2.433 2.015 -0.480 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 7.444 11.154 9.635 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 -2.024 4.480 -4.985 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 -2.359 3.449 -0.428 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 -7.194 8.650 -1.962 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 -17.700 27.634 -11.097 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 2.243 1.740 4.352 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 3.208 28.912 -13.970 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 -18.469 -2.354 -13.148 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 -6.066 1.280 6.426 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 22.705 -3.255 -5.986 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 -25.013 -16.961 18.154 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 0.333 -5.215 -9.417 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 17.758 7.747 1.096 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 26.744 1.538 1.118 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 1.000 -4.541 -1.494 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 -7.432 -13.290 6.026 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 -1.777 4.774 -10.589 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 1.140 -2.454 -0.697 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 1.536 12.796 0.687 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 0.643 -24.253 6.682 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 -3.080 3.767 2.472 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 -17.791 14.740 -0.981 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 10.602 14.044 3.792 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 -6.533 6.420 -0.394 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 1.769 -12.952 -9.352 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 -1.949 -3.137 0.126 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 2.674 4.727 -1.170 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 -2.292 7.810 -5.315 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 -9.999 8.200 -10.340 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 -8.729 0.402 4.891 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 -4.241 -16.822 -11.063 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 -6.051 -14.028 -5.159 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 -1.560 -1.898 -4.906 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 -4.327 3.077 -3.575 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 19.644 -14.157 -2.469 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 3.579 -2.600 -3.591 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 26.800 -1.148 1.411 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 -9.269 -17.980 13.222 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 2.917 1.388 1.066 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 4.943 -1.724 -6.613 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 -7.407 1.921 10.591 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 3.851 -8.024 -1.463 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 -18.541 -5.212 31.849 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 -7.100 -19.791 4.133 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 -4.531 0.638 3.260 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 -2.999 -4.235 11.766 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 -32.888 10.644 -2.908 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 4.797 -2.672 0.569 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 -4.092 12.515 15.763 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 -6.153 -14.853 -9.189 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 -5.040 -7.441 -5.826 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 6.228 2.570 -0.021 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 12.123 7.375 1.482 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 3.979 -0.208 1.233 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 -11.440 2.443 8.425 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 9.133 11.508 -12.053 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 7.545 -0.386 1.678 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 4.577 25.748 -20.918 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 7.861 5.040 -4.912 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 2.963 1.007 0.761 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 -8.321 -17.191 4.054 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 6.844 17.993 7.179 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 0.593 2.934 2.171 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 -24.436 9.249 -0.059 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 -9.713 -0.560 1.501 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 7.427 4.472 -2.650 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 28.137 -6.499 -23.955 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 -0.888 -0.730 0.641 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 0.966 -4.062 0.692 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 24.111 -25.231 -7.151 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 12.733 -11.893 -3.234 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 -0.960 -4.564 1.196 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 -13.508 -1.728 -10.802 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 -3.288 -20.194 15.148 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 -0.032 2.955 0.875 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 7.077 7.713 -0.528 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 -0.079 -4.981 -6.842 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 -2.108 -1.026 6.859 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 -1.655 -3.530 -28.139 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 -1.362 -2.466 -41.519 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 -5.224 5.406 3.624 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 -1.295 1.447 4.463 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 -2.461 9.394 4.073 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 2.737 -4.134 -4.635 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 4.679 1.130 -8.923 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 11.681 5.235 -1.733 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 -5.548 6.827 2.062 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 -10.778 5.003 0.869 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 2.250 4.387 3.969 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 3.498 0.489 6.309 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 -7.324 -3.085 7.555 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 -5.493 6.622 1.884 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 -5.622 1.600 -1.248 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 -6.816 -0.177 -19.115 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 15.504 -0.432 -1.540 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 -0.447 0.254 -0.412 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 10.079 -9.552 -0.292 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 -28.276 -7.065 -3.441 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 -4.478 7.029 4.709 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 -0.232 6.677 3.182 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 -11.697 -1.528 13.695 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 -6.640 4.936 -7.938 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 -1.243 4.155 2.429 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 -3.459 7.849 3.361 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 -0.036 -2.613 3.108 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 -7.477 -2.854 -9.029 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 7.001 -2.415 14.197 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 -6.298 -6.578 -8.118 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 -6.698 6.668 1.185 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 -3.768 -9.188 -9.339 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 -0.476 0.486 4.167 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 9.697 -2.438 -6.644 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 -6.811 -1.427 7.780 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 -1.458 2.710 -0.255 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 10.918 2.108 21.768 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 -9.814 -2.821 -14.222 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 -4.284 14.260 -2.828 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 -1.486 6.194 1.235 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 -9.158 3.971 -7.394 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 -1.111 -2.481 0.917 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 10.131 -17.160 -9.200 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 -16.870 -1.639 -13.917 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 2.718 6.441 -8.186 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 7.111 -26.014 6.149 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 4.523 18.637 -35.214 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 -4.662 -5.392 -5.301 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 -7.588 3.975 -4.249 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 -14.221 -1.804 1.399 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 -2.343 4.816 -6.425 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 6.627 3.906 -7.639 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 -1.630 4.883 -6.761 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 3.173 -7.164 -4.186 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 1.982 -2.161 40.428 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 37.415 8.741 5.435 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 -0.003 -1.440 -2.071 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 -10.941 10.324 -2.123 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 3.372 3.683 10.073 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 -8.004 -2.532 0.743 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 -17.491 21.771 -4.441 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 1.528 5.656 -0.139 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 2.987 -6.477 3.394 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 1.816 14.873 7.879 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 4.273 -0.894 -20.137 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 -7.563 -8.557 -3.875 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 -9.081 33.276 7.390 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 -3.346 31.945 10.630 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 0.791 -0.123 1.321 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 -1.692 -19.767 -8.443 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 17.821 3.204 -22.841 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 3.296 5.499 7.896 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 5.538 4.515 12.780 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 1.444 9.614 1.686 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 2.594 -4.584 -4.130 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 2.165 3.386 -8.094 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 15.983 -8.076 -6.210 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 -1.116 -0.792 -3.768 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 -4.133 -15.453 -18.831 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 -0.750 29.161 -7.561 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 5.530 -3.211 4.506 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 -5.075 -12.983 7.864 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 24.175 -7.023 12.014 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 -5.441 -9.294 2.517 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 4.703 -8.317 -6.297 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 -0.317 -5.065 8.626 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 4.535 -1.887 -0.139 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 10.215 -5.817 17.568 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 13.578 5.886 -11.003 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 4.501 0.054 -2.949 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 -2.776 -10.400 -15.878 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 5.640 -20.856 23.089 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 -3.528 1.191 3.218 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 -5.484 6.331 -1.590 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 -1.492 -7.648 -11.616 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 5.458 -1.646 -4.754 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 2.573 5.415 3.839 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 -6.079 24.809 29.708 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 -6.087 -3.445 -4.951 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 -3.384 -1.785 -0.755 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 -3.808 9.838 -1.946 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 -5.637 2.897 -3.200 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 -10.059 32.053 16.789 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 24.831 11.627 -21.803 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 -5.866 -3.948 -6.177 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 -14.389 -6.839 -5.597 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 16.092 2.033 -6.343 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 7.958 2.043 -0.128 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 -36.044 -26.782 -15.257 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 -14.073 1.225 -7.571 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 1.534 -0.446 -7.460 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 -2.310 -15.016 -16.892 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 8.272 6.878 -1.663 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 2.090 -2.651 -3.105 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 20.727 -5.558 -2.592 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 5.632 -7.373 -4.760 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 3.840 -2.738 -2.150 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 12.249 -1.593 -15.751 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 -22.693 10.101 -6.477 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 -0.660 7.108 -0.362 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 7.725 13.754 6.402 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 0.470 13.130 -9.697 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 -0.839 3.368 -1.818 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 -1.204 4.175 -4.617 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 -10.201 -0.915 5.875 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 1.560 1.047 0.914 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 15.546 -3.714 -27.192 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 -5.478 -11.479 4.349 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 0.995 -2.247 -0.544 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 -12.855 -6.582 10.389 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 10.914 8.997 9.817 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 -1.478 0.454 0.427 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 -0.326 4.632 -11.349 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 3.078 6.761 10.295 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 3.469 -0.663 9.187 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 -6.427 21.182 15.854 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 0.188 -33.154 8.437 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 -0.636 -2.825 4.347 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 3.032 -14.402 25.113 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 -0.817 -3.589 2.092 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 -5.712 -2.007 5.620 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 -5.254 -14.919 14.532 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 -7.317 1.394 2.783 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 -5.528 2.920 1.488 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 1.570 -0.804 4.010 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 -15.999 -0.049 0.849 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 -1.536 3.628 -1.439 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 -14.708 -9.001 -9.890 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 -8.442 3.065 -7.784 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 -4.930 1.207 5.062 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 -17.169 -5.685 16.333 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 6.921 8.116 -13.792 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 1.446 1.028 4.019 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 1.030 1.705 4.596 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 -5.466 5.637 -4.170 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 -2.967 5.508 2.929 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 1.034 5.800 -22.341 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 3.301 -8.121 -17.625 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 2.052 5.809 6.636 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 4.323 -8.399 -10.991 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 -19.446 -25.074 3.417 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 -4.214 1.321 -4.859 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 -26.675 -0.936 -3.629 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 10.442 -10.988 9.567 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 -2.420 -1.825 2.863 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 -9.193 -4.413 4.267 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 1.660 3.394 7.783 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 -5.389 -1.922 -8.573 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 2.468 3.062 -14.673 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 6.974 -29.270 -14.360 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 -5.472 -1.863 -4.932 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 -5.695 1.018 -16.038 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 -4.747 -7.200 2.212 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 1.904 -3.747 -5.775 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 -10.352 10.822 -13.128 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 0.089 4.837 11.186 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 -1.973 -1.894 0.923 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 14.934 14.331 2.481 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 14.927 -8.785 2.636 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 -5.158 2.883 -7.607 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 -1.467 -7.509 -8.241 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 -1.679 7.258 0.302 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 -3.641 -7.748 5.697 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 16.252 -23.797 5.936 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 23.188 -13.513 5.116 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 -0.078 0.897 5.771 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 -3.337 -0.575 10.359 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 -9.206 4.312 1.750 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 -1.206 -5.724 3.199 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 -12.590 -14.042 0.667 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 -16.510 -10.811 -5.524 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 -0.538 0.409 3.416 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 -3.589 1.084 -9.470 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 -7.710 0.530 -12.755 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 1.454 0.401 -8.063 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 4.581 -1.463 1.008 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 18.388 -3.392 6.310 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 5.504 -7.011 -3.691 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 -7.067 0.568 -18.306 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 16.569 -8.546 4.590 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 -0.183 -1.274 -6.108 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 -0.692 -11.014 -0.360 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 -0.030 -8.829 0.454 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 5.893 0.971 2.267 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 7.109 -6.049 -23.623 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 -11.232 11.834 -11.562 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 2.098 0.378 4.996 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 -23.917 -3.049 -5.646 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 -1.049 0.737 10.565 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 -3.351 2.078 2.326 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 -4.001 5.370 20.310 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 0.550 7.762 10.388 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 -1.992 8.841 -1.873 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 -0.873 10.093 -1.065 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 -9.236 14.261 -10.167 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 3.203 -0.533 2.891 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 -32.377 5.677 -4.296 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 -22.323 20.073 23.738 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 -3.809 2.658 -2.488 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 -8.287 -12.119 9.503 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 -9.095 -17.075 14.519 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 8.495 0.255 0.323 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 5.181 -3.638 -19.902 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 -0.684 4.419 -5.829 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 1.590 3.523 6.571 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 -7.154 -1.515 7.487 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 -3.367 -2.114 -5.973 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 -5.838 -0.355 -2.036 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 -0.194 -3.391 0.177 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 6.982 -7.471 2.143 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 -4.023 4.236 3.104 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 -2.285 6.583 -1.390 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 -3.073 7.086 -7.819 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 3.948 4.100 1.605 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 4.566 8.894 -15.242 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 14.401 14.003 8.859 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 -0.779 -1.879 0.748 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 -1.056 0.235 1.714 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 -1.482 -7.247 -4.943 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 4.522 -0.852 -3.571 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 -7.153 15.563 -5.318 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 39.950 2.177 1.800 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 1.872 6.696 1.852 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 -18.039 1.477 -2.169 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 -10.637 -4.118 23.455 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 -4.213 -7.560 -3.741 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 -0.878 -2.486 -9.569 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 6.515 -0.358 -12.117 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 -0.777 -3.796 -5.704 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 -15.164 1.124 -14.828 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 -16.348 29.054 -4.556 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 -4.736 1.713 1.685 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 10.553 -9.926 4.413 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 13.842 2.324 -13.284 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 5.163 -4.837 1.793 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 7.982 10.177 -0.927 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 -14.782 -15.763 7.485 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 -2.147 -0.594 -0.756 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 -0.809 -17.581 33.136 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 -20.900 -17.752 -12.883 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 2.482 -5.935 0.035 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 11.851 -13.810 -14.612 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 -20.007 14.606 -6.738 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 1.576 4.304 5.156 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 21.457 -9.567 -9.719 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 -27.127 18.797 26.488 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 3.285 3.901 -9.671 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 20.802 -20.017 0.438 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 8.950 -4.589 -6.379 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 -6.031 0.575 1.972 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 -8.523 8.223 7.338 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 -4.919 -9.729 -6.547 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 1.209 -0.517 -6.340 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 4.632 0.275 10.926 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 -3.806 8.213 -4.479 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 2.867 -1.147 1.258 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 4.492 0.688 29.694 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 7.666 -14.595 -16.428 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 0.887 -3.255 -2.229 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 -18.447 -9.679 2.183 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 -43.569 -12.444 11.744 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 5.335 -5.316 -6.691 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 -2.034 -8.553 -15.733 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 17.216 -13.052 11.107 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 -3.478 -3.625 3.705 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 16.267 -8.437 -2.257 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 4.839 -2.438 -3.960 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 2.028 1.324 -1.302 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 7.291 -2.301 -0.512 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 -1.734 7.368 2.126 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 -1.161 -2.530 2.562 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 6.088 -8.031 20.510 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 -23.185 -16.615 8.918 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 -3.169 -1.499 1.806 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 -1.765 -13.348 -18.125 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 -6.202 0.911 1.163 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 2.036 -5.005 -7.029 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 -15.597 23.322 1.535 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 10.296 -27.485 -10.601 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 -4.391 0.007 -0.104 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 1.720 -13.530 -11.315 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 -14.548 13.745 -4.770 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 0.351 -5.607 -0.659 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 -7.924 -11.490 8.702 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 2.721 2.495 6.179 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 2.536 2.856 -5.010 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 -10.068 -0.487 20.047 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 -10.213 2.513 21.585 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 2.002 -1.058 -0.906 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 1.438 11.774 -6.313 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 -8.977 -5.193 -3.179 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 6.056 2.907 -0.867 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 24.375 19.044 -41.277 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 1.520 16.544 8.333 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 6.315 -2.893 5.766 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 -12.485 -9.454 -14.771 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 -7.654 19.401 20.045 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 1.168 2.929 4.003 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 8.382 -21.074 33.262 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 3.039 -5.067 19.869 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 0.432 3.914 -2.660 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 -12.307 14.244 -11.113 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 -14.403 8.912 -8.424 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 -0.647 2.297 -2.204 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 -19.289 6.872 4.571 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 10.001 3.661 -5.507 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 2.422 2.577 -3.288 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 -5.144 11.188 5.899 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 9.373 -2.196 -10.980 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 1.357 -0.254 -0.368 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 3.351 -21.191 -5.708 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 -15.107 4.566 -5.348 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 2.955 5.852 5.809 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 4.534 1.372 1.902 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 7.031 -5.140 -2.906 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 -3.602 3.633 -4.048 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 -5.742 -1.777 -5.769 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 -2.370 6.788 -2.878 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 7.225 0.984 -2.655 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 -1.293 12.623 1.791 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 11.543 0.821 -21.588 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 -0.375 -0.589 8.685 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 -17.787 5.738 10.191 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 -7.619 1.821 9.434 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 1.858 9.798 -2.773 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 -0.910 15.651 -26.871 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 7.274 -21.325 0.771 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 5.032 -5.077 4.891 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 7.189 -4.689 -1.462 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 1.766 -2.733 6.295 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 -5.962 -0.009 -1.598 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 -12.128 3.205 2.122 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 -7.807 4.998 -1.165 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 -1.254 -5.335 -0.445 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 21.600 0.440 -1.887 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 2.609 14.337 1.334 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 -2.301 -3.775 3.481 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 7.655 -9.596 11.992 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 -14.183 -1.505 11.989 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 -10.070 3.519 4.413 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 -8.178 -4.053 11.549 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 -12.340 12.617 -3.828 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 -0.598 0.567 -3.780 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 3.342 3.039 0.623 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 2.130 15.013 3.424 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 -5.431 1.605 -1.013 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 -8.387 -2.745 -0.199 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 -10.272 -2.760 4.144 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 -2.188 1.779 -4.989 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 -9.782 7.812 -16.935 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 9.945 -5.021 5.184 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 -4.988 -0.663 -3.356 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 0.322 11.737 1.079 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 8.116 -5.290 -7.750 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 1.446 -5.028 0.180 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 4.851 5.445 -18.462 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 -3.403 -11.936 16.315 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 2.686 7.443 -2.468 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 10.183 11.054 0.884 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 6.144 11.109 3.403 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 -1.354 0.175 -9.136 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 -9.321 -4.610 17.907 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 -17.852 -20.560 40.416 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 0.690 0.113 -1.460 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 8.065 11.768 10.224 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 -4.106 -10.775 -9.898 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 1.002 4.632 5.955 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 -1.081 -8.458 -4.527 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 -8.187 -14.079 -12.662 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 -5.649 5.780 0.020 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 15.673 -8.808 -3.645 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 2.031 -0.397 -1.164 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 -5.666 1.915 -0.359 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 -6.684 -0.130 -12.870 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 -12.008 5.465 4.853 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 -0.324 3.253 3.725 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 10.188 -3.480 9.245 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 -0.830 -0.506 3.101 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 -3.232 -0.013 0.715 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 -11.250 0.443 0.741 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 -3.853 -2.816 3.601 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 -6.084 -0.442 -5.742 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 -3.848 -8.369 -4.374 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 -4.574 3.289 -1.472 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 -0.923 5.497 1.268 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 6.123 -1.826 3.290 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 2.389 9.828 -13.989 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 1.860 -0.681 -3.806 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 7.888 -4.158 -10.067 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 0.856 -4.480 3.052 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 -4.679 5.968 3.311 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 -20.464 10.793 -0.645 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 -26.431 -13.622 3.497 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 2.816 3.945 5.430 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 2.421 3.781 7.101 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 9.590 4.375 -0.591 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 -1.471 4.476 -5.592 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 17.997 -19.342 13.656 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 10.363 5.638 4.119 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 2.150 -12.331 1.193 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 3.423 -7.640 6.278 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 2.470 10.469 -6.413 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 1.409 4.709 0.483 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 7.073 -2.240 -5.510 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 1.912 3.176 -12.753 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 0.288 -0.206 -2.169 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 -17.778 -17.848 10.687 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 -9.667 -10.331 3.967 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 4.726 2.614 -1.465 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 11.891 35.196 11.679 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 17.916 -6.257 -33.101 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 0.938 2.157 2.729 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 -9.182 10.887 -4.539 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 12.446 -8.831 9.303 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 4.369 -0.323 -2.808 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 28.892 0.623 6.142 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 -4.486 0.718 -8.975 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 -6.942 -6.101 -3.280 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 -2.348 -3.725 3.414 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 11.748 -10.659 -9.895 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 -6.509 -3.749 -1.816 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 -1.302 13.905 3.611 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 1.959 -21.798 -4.378 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 0.627 -4.373 0.974 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 -6.865 12.555 12.848 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 2.178 -2.099 -0.722 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 1.452 4.079 1.455 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 8.044 -3.530 6.274 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 2.008 18.185 2.273 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 -2.828 6.038 -4.210 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 -3.444 11.112 -5.964 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 9.984 -3.759 0.394 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 2.521 0.758 -2.838 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 11.748 -8.870 17.570 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 -0.735 8.279 -11.519 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 -4.925 4.279 4.658 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 -13.868 7.800 -11.651 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 15.786 -12.108 -2.394 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 -1.360 2.624 -5.120 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 8.725 7.115 8.440 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 -6.956 3.566 16.507 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 -4.244 1.039 2.165 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 -1.785 18.424 8.888 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 -3.974 9.097 -3.334 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 -3.905 -3.982 -3.523 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 15.579 -6.357 -9.581 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 0.929 7.233 3.966 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 0.505 -0.861 -3.877 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 -4.103 -21.394 7.427 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 8.649 -1.799 -28.448 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 1.950 3.178 2.455 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 -16.232 27.538 -19.843 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 21.244 -26.663 -13.546 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 -2.456 -1.127 0.844 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 6.206 19.163 2.329 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 -5.684 -15.898 -1.159 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 3.230 -1.757 1.632 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 8.984 -4.010 4.123 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 4.868 15.819 -10.521 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 -1.210 4.367 -1.019 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 6.477 1.930 -1.497 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 -10.872 10.703 2.644 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 8.617 8.516 -5.195 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 3.029 -9.766 10.330 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 10.886 -4.240 20.970 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 -0.895 0.551 -0.946 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 5.060 2.925 1.281 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 14.527 8.768 8.914 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 -6.422 -10.632 1.058 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 -2.970 -12.315 -1.703 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 -2.320 -3.486 -5.931 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 2.273 -0.781 2.198 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 2.993 -0.839 6.835 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 13.240 -1.790 25.428 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 -6.254 -4.065 2.199 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 -0.682 -12.862 -9.481 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 -0.872 -21.471 8.325 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 4.105 -4.379 -2.249 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 -2.144 6.745 -0.101 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 -4.537 8.797 5.601 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 -2.182 -3.766 -1.067 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 12.789 -1.163 18.419 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 -31.231 -0.364 8.446 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 -2.288 -0.317 -0.469 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 7.907 1.467 -2.560 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 5.645 1.456 -2.299 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 -0.893 -3.736 -3.203 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 -1.640 -15.284 -8.069 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 -10.748 4.101 5.566 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 -2.695 2.554 0.342 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 -7.130 18.153 11.748 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 -7.878 -11.423 15.022 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 2.189 -0.160 1.830 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 -1.873 -8.511 6.026 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 -3.433 7.978 3.643 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 -3.053 2.331 0.543 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 12.404 -11.719 7.427 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 6.240 10.102 -11.428 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 1.012 -4.383 -0.229 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 -12.791 2.222 -6.767 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 -14.080 2.936 1.352 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 -10.064 -1.908 -0.004 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 0.126 8.017 15.343 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 -13.700 0.379 32.090 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 -2.565 -0.048 -5.749 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 -0.880 -5.593 -26.108 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 -30.387 -18.608 14.061 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 3.701 12.794 3.185 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 18.037 11.692 25.454 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 -1.435 17.359 9.851 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 -0.004 0.687 0.944 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 -0.138 -2.079 -1.559 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 -4.142 -2.912 2.943 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 2.283 -1.331 4.491 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 -3.913 11.580 -21.210 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 -8.519 -18.614 9.930 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 3.629 0.749 -7.027 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 8.116 16.325 -7.256 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 -5.105 -19.394 -9.942 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 5.158 7.358 10.732 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 -15.633 13.648 33.609 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 6.185 -0.253 -1.749 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 -6.911 -1.373 -1.582 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 3.562 11.658 -17.677 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 10.908 -20.951 -11.995 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 -1.849 -1.156 -3.944 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 -9.018 -37.617 -0.904 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 -14.600 8.530 -8.289 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 -6.989 -0.788 -6.802 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 1.399 9.421 -9.251 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 -16.441 4.866 0.578 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 0.368 -1.038 -2.041 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 4.232 -7.396 -8.373 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 11.524 -11.946 10.073 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 2.028 8.272 -1.685 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 5.569 6.676 -2.275 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 -9.876 15.682 -1.074 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 -0.073 2.796 3.272 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 -0.920 13.032 6.865 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 20.231 -16.180 -4.626 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 2.637 0.866 -1.657 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 -5.102 1.115 1.721 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 10.873 -1.635 -4.810 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 -4.608 5.698 -1.597 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 5.642 -4.069 5.050 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 13.384 -12.532 -8.711 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 4.913 -2.776 1.657 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 22.090 -2.705 28.987 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 4.377 6.337 2.563 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 -7.899 8.400 4.039 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 6.313 -9.874 0.522 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 5.772 -7.213 -1.114 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 7.656 -0.856 7.373 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 1.710 7.034 2.712 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 13.511 -4.609 0.436 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 1.378 -2.604 -6.051 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 16.943 -9.298 -11.382 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 -11.525 4.684 0.703 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 1.469 6.614 -0.439 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 10.932 6.104 22.063 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 3.499 -7.383 -11.188 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 3.724 -3.146 -0.727 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 7.319 -27.857 0.731 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 22.703 4.947 5.132 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 2.149 3.591 -3.359 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 -3.214 6.491 -8.675 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 18.447 12.746 8.328 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 -2.013 2.103 4.013 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 -6.247 0.515 -2.683 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 -19.414 16.609 -7.621 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 1.913 2.004 5.210 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 18.294 18.059 24.412 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 0.449 4.998 -3.282 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 0.361 -3.392 2.801 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 1.472 7.838 -8.302 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 8.073 -8.002 39.472 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 -1.480 0.951 4.078 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 -27.980 3.784 -9.534 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 -6.883 -6.326 20.370 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 6.589 4.749 0.794 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 -1.526 -3.331 8.769 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 -10.252 -21.447 5.356 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 -0.195 -3.004 4.818 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 5.506 6.743 -7.378 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 -0.975 -13.839 -1.889 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 -7.471 12.136 4.014 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 -13.121 12.853 -0.794 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 -10.452 1.886 10.555 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 4.351 0.709 -2.674 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 -19.019 -17.398 -7.775 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 -12.732 -10.902 -5.968 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 1.553 -7.470 -0.933 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 -2.113 -22.181 7.988 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 -0.491 9.694 -19.737 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 1.643 2.360 -4.196 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 0.573 3.026 -22.940 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 4.143 -0.830 23.803 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 3.926 -5.303 2.244 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 -15.175 -9.158 -5.423 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 42.276 -29.539 13.659 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 2.246 4.113 0.537 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 -5.308 23.719 -21.283 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 1.834 -1.226 -13.898 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 0.924 1.391 3.852 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 10.586 18.016 11.478 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 -0.382 -15.932 6.248 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 5.906 7.161 3.261 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 -15.141 14.836 -6.205 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 -30.241 2.844 24.304 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 -4.027 -0.465 8.688 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 -27.855 -17.064 19.825 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 -2.571 -12.097 -11.548 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 -4.021 -1.957 5.644 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 3.638 -8.423 8.022 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 7.408 -7.421 -2.973 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 2.058 2.671 -5.345 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 -3.635 7.216 3.713 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 6.840 7.389 -10.257 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 -0.853 -3.546 -0.361 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 1.490 6.378 1.093 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 0.142 14.696 -22.128 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 -1.254 1.425 5.369 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 -0.600 -2.187 1.319 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 1.548 -0.043 -2.246 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 -3.032 -3.638 -1.168 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 20.967 7.484 -10.521 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 6.986 -8.835 -14.256 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 0.870 -1.003 -2.811 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 2.190 -1.079 -1.322 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 11.026 8.648 -9.848 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 -2.444 3.743 4.038 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 -2.615 19.540 -1.358 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 11.429 -2.001 25.111 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 -2.287 1.103 -10.737 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 -6.931 4.877 -15.428 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 2.129 -3.095 -5.653 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 3.390 -2.224 -7.151 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 9.983 7.616 -0.735 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 16.935 -12.018 -15.730 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 -1.489 0.547 -0.816 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 6.864 7.332 8.554 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 1.329 -11.232 -9.002 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 7.832 -9.870 4.479 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 -3.589 21.369 13.729 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 -6.603 11.808 -15.064 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 -6.639 1.732 -2.070 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 12.205 -9.532 39.380 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 2.432 13.838 0.702 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 1.761 0.871 -1.316 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 23.068 0.710 0.077 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 15.161 11.782 -5.994 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 -3.054 -6.765 1.787 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 10.563 14.694 -0.249 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 19.582 16.356 -5.799 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 4.515 -2.259 0.980 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 8.263 1.370 2.798 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 1.170 -8.177 5.398 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 -2.307 6.001 6.606 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 8.281 -4.613 -8.436 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 -6.150 12.571 12.518 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 -3.496 -1.082 -4.341 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 8.894 -38.086 -29.785 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 -13.556 0.225 2.668 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 0.991 -12.482 8.443 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 -9.422 -24.393 9.847 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 -24.250 -31.258 7.853 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 9.272 -2.878 -0.925 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 0.076 -7.980 9.579 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 -15.284 3.238 7.407 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 -2.510 -5.569 2.208 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 -12.458 -33.807 7.861 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 5.240 -11.224 -18.623 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 -2.476 0.360 -4.551 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 0.613 7.126 -5.743 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 16.640 7.262 3.519 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 -0.088 4.871 -4.201 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 7.387 7.241 -1.725 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 10.097 7.231 -10.579 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 3.045 -4.115 -1.696 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 -27.746 -25.088 -18.092 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 29.959 -19.075 6.197 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 5.245 -5.806 -7.067 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 7.608 -3.461 6.583 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 8.237 -7.843 -10.587 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 9.074 -0.691 10.173 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 10.570 9.951 -8.020 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 -1.062 18.595 4.408 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 5.368 3.320 3.284 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 7.717 15.416 -11.019 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 14.651 -7.706 32.439 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 6.650 2.070 -1.751 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 11.606 4.877 -11.985 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 6.215 -5.354 -0.217 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 0.662 3.111 -3.788 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 5.446 -8.464 6.131 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 -11.594 -1.906 -7.020 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 2.336 2.547 1.659 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 1.647 0.885 -3.639 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 -0.905 7.124 2.888 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 -1.973 2.208 -1.699 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 -27.849 -6.710 6.955 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 7.194 27.782 -22.750 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 1.893 4.545 3.949 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 -18.320 0.156 -4.335 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 -1.326 21.675 4.705 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 2.175 -3.420 2.910 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 -23.127 16.888 16.114 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 3.339 10.713 24.091 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 -0.770 3.292 2.312 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 -10.968 -6.341 2.866 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 17.120 -2.450 -1.180 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 -1.458 -6.372 -2.122 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 -8.647 17.022 -11.057 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 0.741 -24.002 -4.753 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 4.721 -5.605 0.403 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 14.817 -29.904 11.905 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 -11.529 3.926 17.123 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 4.826 1.605 -0.733 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 -0.755 0.041 9.989 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 -23.279 1.702 -16.502 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 1.027 0.578 4.494 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 7.841 -4.719 2.129 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 -4.602 0.421 -1.887 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 1.509 -1.805 5.263 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 6.702 5.849 -6.684 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 -18.739 -20.507 -2.090 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 1.523 -2.593 -4.019 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 -11.075 10.151 8.068 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 -2.290 2.094 0.168 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 -4.029 -0.961 4.410 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 0.136 -3.572 1.083 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 -5.355 4.587 0.033 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 1.469 1.465 4.700 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 18.991 -5.864 0.804 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 -24.292 -10.075 7.799 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 -0.590 0.997 1.544 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 13.191 1.111 16.021 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 -10.906 7.847 -16.490 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 -0.022 -1.473 6.587 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 -15.466 -10.609 8.057 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 -5.001 2.591 -18.327 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 1.790 6.199 0.395 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 15.557 14.136 7.346 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 -31.898 -13.600 -9.034 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 -0.772 1.763 3.672 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 -3.091 4.040 3.593 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 11.036 -10.200 7.563 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 -5.653 -7.396 -0.496 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 -4.165 -6.998 1.837 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 -3.569 -5.666 -20.258 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 -2.314 1.456 -2.060 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 -4.645 6.934 7.065 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 -1.877 -1.042 -4.123 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 -0.668 2.598 4.248 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 17.487 -6.414 8.055 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 -9.471 10.326 0.874 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 -6.079 1.776 -4.281 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 -0.214 23.745 -14.638 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 -0.441 19.643 -9.006 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 0.679 3.304 -6.847 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 -11.725 0.153 -12.882 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 15.833 -2.062 -4.671 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 -4.826 4.109 -6.266 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 3.254 -0.058 0.192 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 23.935 3.236 -14.015 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 2.760 -2.387 0.515 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 16.094 -16.440 -23.781 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 21.724 3.426 25.727 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 5.737 -0.406 -3.145 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 5.818 3.339 -8.210 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 -3.052 1.788 -0.368 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 -4.975 -1.708 3.931 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 -1.370 -4.084 15.459 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 -18.636 -6.797 6.707 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 1.512 -1.473 0.021 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 15.812 -0.776 -9.739 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 2.582 -14.515 13.325 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 5.586 -1.776 4.817 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 16.973 -17.018 15.167 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 -16.940 8.167 9.533 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 -1.912 -2.030 3.732 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 -15.624 -22.328 1.319 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 -20.659 13.970 8.002 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 2.093 5.262 3.883 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 4.632 -0.591 6.017 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 6.503 3.858 19.284 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 -5.217 -0.282 -1.789 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 -1.003 -6.120 4.726 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 4.257 19.336 -5.664 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 3.220 1.667 -0.354 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 -0.839 -3.243 -0.048 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 5.495 0.522 3.745 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 -2.758 -4.172 -1.531 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 -8.785 2.199 11.495 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 -14.018 28.655 28.135 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 -4.105 6.683 -5.354 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 -0.531 -5.091 -3.485 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 -5.616 18.427 -7.677 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 6.419 -4.460 -6.606 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 14.271 11.877 -8.911 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 11.674 -18.433 -11.116 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 -1.229 0.483 5.773 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 8.854 -12.375 37.126 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 22.004 22.820 5.872 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 6.628 3.633 -3.109 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 11.972 -22.518 5.435 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 7.982 -12.050 6.827 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 0.184 2.568 -0.890 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 -7.510 -3.552 -1.497 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 10.419 -6.904 -6.060 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 -0.913 -1.072 5.097 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 3.962 -13.662 27.718 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 -32.551 7.886 20.370 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 1.456 8.669 0.721 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 -3.316 0.138 19.928 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 -1.267 0.679 -1.824 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 -2.534 4.534 4.914 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 0.738 3.605 8.843 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 -8.483 3.840 -1.698 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 -3.900 -3.324 -1.059 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 -14.551 4.572 -1.887 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 -13.041 -3.262 -11.567 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 1.361 -2.302 -4.790 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 -1.572 -9.020 32.681 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 0.314 -5.109 -9.241 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 1.371 -0.859 -7.021 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 -0.181 -0.958 -0.633 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 -2.892 -6.957 -0.931 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 -3.246 -1.949 8.770 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 -0.800 -16.822 -5.397 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 -4.440 -21.104 -8.235 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 1.108 0.078 -6.169 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 2.941 -2.709 17.110 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 11.418 -9.319 -6.869 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 -0.294 -1.729 -2.906 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 15.303 7.950 -6.012 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 -6.980 2.989 -10.540 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 -0.622 1.395 6.822 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 -4.297 -3.150 4.798 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 13.898 -2.008 15.749 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 2.875 2.934 6.641 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 1.198 0.233 8.780 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 -4.709 5.682 1.263 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 -12.329 -0.601 -3.776 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 -0.204 -25.642 7.629 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 7.106 13.435 4.371 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 -1.956 0.075 0.674 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 -3.600 -4.653 -6.138 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 -0.988 -1.357 -1.852 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 1.260 4.174 3.445 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 5.034 9.470 11.819 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 -3.017 -4.983 -11.512 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 1.725 -2.968 -0.518 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 11.499 7.297 4.491 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 12.413 3.900 1.588 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 -0.361 12.674 -1.166 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 -13.610 9.216 9.514 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 11.799 17.113 -11.693 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 -3.259 1.167 -2.340 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 2.305 -6.794 11.466 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 11.416 14.729 21.173 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 4.696 0.880 -1.490 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 -22.768 -5.210 1.493 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 7.161 19.471 11.627 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 1.324 6.112 -3.730 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 -9.883 -2.177 -2.768 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 -13.032 17.471 9.750 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 0.788 4.011 3.489 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 -10.515 12.416 11.001 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 4.026 -11.646 -4.529 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 3.926 -0.393 -5.129 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 9.415 -9.607 13.546 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 16.198 7.617 -10.404 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 2.778 -1.669 -4.966 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 7.148 -15.114 -7.024 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 18.386 -31.176 -1.503 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 3.010 2.075 -4.207 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 -40.743 30.315 -6.733 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 11.960 -3.820 -17.383 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 -0.079 -0.391 0.295 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 9.614 2.444 12.593 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 7.021 4.493 2.820 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 1.197 -1.000 -3.825 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 1.287 -3.926 -0.481 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 22.606 4.407 -11.147 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 -5.441 0.950 -5.302 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 -14.121 -6.535 -23.916 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 22.582 -0.732 -6.985 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 -1.901 0.658 1.311 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 -4.902 24.480 6.343 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 -1.867 -0.655 1.071 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 8.109 4.241 -0.671 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 16.034 1.384 20.475 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 0.740 13.508 -2.556 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 3.943 2.715 0.475 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 4.282 5.918 1.135 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 3.543 10.635 2.505 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 -3.974 -5.684 5.149 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 -16.681 -3.874 15.314 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 6.254 -6.855 -5.824 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 -8.388 0.621 -0.170 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 1.947 -6.036 1.578 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 11.534 26.834 -35.372 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 5.096 0.337 -3.227 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 -3.030 2.942 -24.938 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 9.598 -1.062 9.588 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 1.566 2.528 6.996 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 -0.851 -13.113 5.049 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 -12.836 5.988 6.036 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 -4.575 2.357 4.383 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 -2.357 2.605 -7.842 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 3.090 3.313 -12.008 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 3.349 -1.775 -2.488 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 14.042 7.533 -3.888 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 -3.779 -2.748 2.529 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 -1.200 -3.026 -2.018 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 -0.532 -1.020 2.823 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 -1.912 -1.935 2.104 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 -3.152 3.533 -3.575 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 -24.224 -7.806 -13.001 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 -21.794 -7.968 -11.702 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 -3.278 7.059 -3.678 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 -3.024 -1.509 -18.675 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 9.964 -3.301 -0.026 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 1.637 8.150 0.802 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 2.208 11.166 -10.330 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 4.349 12.448 11.249 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 1.801 2.290 -1.909 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 2.894 1.903 1.951 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 1.991 -0.723 -2.575 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 -6.075 -1.464 1.207 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 29.059 6.508 -19.649 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 -9.480 -11.309 19.815 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 2.934 -1.953 -2.870 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 17.690 10.112 1.655 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 -9.795 -4.191 -1.128 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 3.238 -0.264 -5.738 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 6.882 4.674 -15.122 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 8.604 7.790 -21.228 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 3.012 3.881 -8.385 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 1.151 7.544 -0.396 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 -7.636 3.125 -27.287 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 -4.888 4.992 -0.152 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 -6.207 5.839 -10.874 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 2.544 12.988 4.160 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 -1.579 -2.902 2.283 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 0.017 -23.979 19.872 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 -4.857 3.875 6.144 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 -0.676 -2.740 0.897 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 21.413 -6.113 -9.415 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 -14.590 6.972 -16.974 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 6.413 -4.533 0.450 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 0.572 -27.111 -10.195 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 -13.322 -0.890 19.379 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 3.527 2.337 0.936 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 18.604 -12.557 7.064 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 7.023 -6.120 4.124 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 2.086 -5.463 0.140 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 -23.638 -25.915 -12.572 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 2.228 14.892 -1.717 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 0.349 5.014 2.082 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 5.655 -2.708 -7.664 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 7.053 -2.669 17.545 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 -4.667 -0.663 -5.641 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 -4.118 0.440 -5.966 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 -12.622 -8.490 24.153 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 4.727 -4.761 1.774 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 31.525 3.133 -6.204 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 1.446 -5.303 4.341 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 11.340 -2.469 -2.441 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 14.790 11.131 -4.635 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 26.728 4.324 -21.264 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 -0.591 3.296 4.156 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 -23.562 23.688 -10.831 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 22.331 1.361 -3.871 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 -2.890 -3.597 2.974 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 0.338 1.803 5.553 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 -0.851 -2.686 0.084 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 -0.649 -2.611 -4.233 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 -12.652 1.353 -4.819 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 0.797 -3.463 5.086 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 0.670 -5.368 -1.861 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 10.447 -2.011 7.579 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 0.923 -5.368 -2.530 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 -3.729 1.287 -1.687 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 -19.925 0.826 -17.922 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 -5.673 1.822 13.873 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 -1.364 -1.178 -2.036 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 14.635 -3.339 -9.243 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 -2.848 -3.854 -3.145 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 -1.761 2.188 -5.651 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 6.663 16.218 1.692 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 -3.834 -0.440 -7.451 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 1.599 -4.944 -0.137 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 -17.116 -8.887 -27.979 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 -28.413 -13.993 17.004 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 -4.224 0.229 -5.084 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 13.781 -9.472 5.024 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 -16.665 2.651 24.194 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 2.044 -0.185 -0.866 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 12.163 32.385 14.795 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 1.102 -1.806 -6.191 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 2.919 -2.171 1.097 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 -4.108 -28.248 0.411 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 28.394 -0.618 -9.845 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 1.802 -0.589 2.953 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 24.004 -8.324 -20.535 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 -11.997 -1.109 17.125 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 -3.677 1.434 1.194 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 0.591 20.513 -13.360 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 -3.396 10.330 2.878 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 0.937 3.153 -1.207 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 1.755 1.470 -0.235 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 -2.838 31.305 -15.555 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 -3.058 -5.476 0.750 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 -7.049 -5.674 -2.930 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 -2.495 -5.996 2.168 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 -2.710 1.873 0.501 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 -3.616 -0.727 0.391 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 -17.916 -6.298 8.091 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 8.580 -0.267 -4.230 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 -8.516 13.795 7.864 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 -10.467 24.162 -20.361 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 3.734 -2.400 -4.281 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 -29.077 20.283 -12.050 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 15.405 -4.379 -4.493 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 4.162 -2.920 1.917 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 7.569 -10.813 5.963 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 -20.459 2.621 -2.890 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 -7.380 -2.473 0.640 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 -6.771 -10.900 2.059 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 -14.103 0.936 6.506 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 0.355 -4.538 2.936 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 -1.625 -19.777 -4.337 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 4.715 -9.453 19.077 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 4.887 6.509 -1.834 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 2.195 -6.645 6.559 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 10.803 5.514 -4.672 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 1.723 0.808 1.592 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 -7.730 26.295 8.764 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 -1.250 -9.890 7.812 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 -2.810 -0.464 -3.471 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 -23.277 19.036 0.416 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 21.150 14.889 4.278 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 1.198 -1.445 -0.901 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 -12.626 5.025 5.140 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 3.776 -1.989 -4.211 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 -2.723 2.314 -4.479 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 -16.063 7.688 18.922 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 8.667 -0.116 -20.623 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 -3.413 3.760 -5.422 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 -8.357 4.956 -0.082 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 8.699 -9.238 -35.064 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 1.069 0.229 0.592 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 -0.387 -8.263 15.781 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 -14.857 14.349 -6.974 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 0.974 0.079 6.728 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 30.699 -26.671 -10.376 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 -18.344 14.351 19.796 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 4.543 -1.302 -3.845 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 15.615 -18.372 3.341 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 17.693 18.051 -11.550 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 -1.099 -2.151 -0.668 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 -13.696 -7.145 -22.305 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 -8.135 -32.767 22.037 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 1.549 -1.235 2.348 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 19.307 15.931 -2.868 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 9.441 -1.816 -1.934 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 -1.561 0.895 -2.173 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 0.243 3.039 -6.085 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 -49.362 6.546 -22.932 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 3.539 -6.461 1.781 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 18.966 -17.343 6.352 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 9.846 -6.512 -6.892 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 6.704 -1.471 3.260 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 7.375 -11.578 -2.634 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 4.346 6.824 6.508 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 1.359 -7.980 -2.607 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 1.463 -6.939 -2.090 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 1.328 -7.046 -2.204 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 -6.097 -1.334 4.342 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 -4.892 -10.529 5.026 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 1.568 -30.654 0.213 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 1.338 -2.164 -2.814 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 12.908 18.207 -25.824 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 5.321 -17.036 -10.463 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 -3.880 -0.185 -3.508 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 -4.023 1.009 7.519 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 -2.116 -17.043 -2.478 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 5.060 -6.630 3.210 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 2.016 -9.273 11.763 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 10.694 -20.534 -7.805 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 -7.425 3.222 -7.643 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 0.354 9.489 2.759 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 -15.785 -0.653 -11.528 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 1.478 0.738 -1.735 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 -4.027 -2.453 3.007 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 -2.044 -4.405 -1.939 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 1.503 -6.213 2.368 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 -9.968 -2.425 -0.285 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 -15.894 17.433 -11.600 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 -10.270 -4.281 -4.086 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 -9.909 -11.240 3.096 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 -16.004 -3.599 -12.480 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 0.094 -5.613 1.591 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 4.964 -7.381 11.151 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 12.437 -22.199 -7.711 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 8.332 -5.907 7.957 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 -11.247 -16.140 13.321 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 1.444 1.338 3.193 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 6.311 1.104 -1.822 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 -7.269 -10.182 -1.398 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 2.677 3.893 -10.219 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 5.823 0.815 -2.884 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 -14.854 -6.561 20.247 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 15.034 0.954 -15.906 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 1.754 6.130 6.298 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 10.617 -3.507 -0.125 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 7.642 -9.724 -2.972 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 -0.599 8.558 0.654 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 1.933 -9.494 4.714 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 -3.542 -2.419 -3.098 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 -1.192 -1.917 0.342 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 7.845 -3.587 11.839 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 -13.567 4.311 -8.359 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 8.915 -2.190 0.686 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 -5.849 23.875 -11.233 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 14.868 7.868 -14.739 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 1.879 3.034 6.542 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 -0.590 23.644 -5.213 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 0.839 -15.576 28.833 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 0.107 -4.563 -0.519 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 6.617 -3.322 -11.453 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 -2.585 0.223 7.050 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 -2.549 -6.317 0.595 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 -15.691 19.326 -1.065 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 45.243 -3.556 -6.274 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 -5.476 -2.467 -5.533 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 3.231 -9.381 -8.668 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 3.207 -6.330 -15.305 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 -2.420 -1.844 0.353 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 -1.086 -5.943 -0.911 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 -0.538 0.481 -0.797 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 -1.112 4.525 1.961 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 3.225 3.697 -3.045 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 2.070 11.306 -3.238 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 0.793 -4.947 11.442 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 -4.838 4.853 15.157 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 11.066 -7.209 12.495 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 2.484 4.587 2.352 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 -11.387 7.560 -3.724 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 3.143 4.716 14.854 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 -2.191 -3.719 -8.398 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 2.696 8.732 -16.360 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 -22.230 17.437 -14.872 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 0.560 -2.532 0.643 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 -2.560 -2.251 7.180 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 -3.676 4.797 2.368 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 -0.226 5.129 4.333 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 0.843 1.899 -2.018 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 1.501 -18.336 -17.232 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 2.452 6.988 0.523 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 15.799 -7.180 10.728 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 18.044 9.335 15.465 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 -1.511 -0.901 -2.991 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 -18.012 2.341 2.272 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 5.102 -6.564 -1.989 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 -5.884 -10.417 -0.510 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 -19.384 -1.362 -7.724 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 10.142 -0.142 4.332 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 0.356 -3.763 -2.579 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 -5.551 -5.391 -2.337 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 14.910 -16.279 1.799 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 -6.716 2.439 2.173 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 7.568 -2.612 9.317 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 -11.940 -5.198 0.770 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 -0.717 0.308 -10.173 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 -2.263 -14.829 -22.612 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 -17.661 7.973 -9.167 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 -3.593 7.927 -2.666 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 25.237 7.950 11.795 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 -9.101 18.989 22.864 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 2.100 2.124 4.672 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 3.901 -2.369 9.293 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 2.918 3.380 3.749 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 7.067 3.297 1.747 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 -13.777 -1.595 -0.581 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 10.374 -3.328 -28.038 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 7.033 2.020 -5.334 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 10.919 -4.719 -4.690 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 29.137 -8.630 -19.986 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 0.885 -7.750 -1.989 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 -4.945 20.724 -15.398 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 16.545 2.643 19.136 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 -2.333 4.872 6.041 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 1.323 2.426 -19.003 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 3.951 3.371 6.865 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 -2.052 3.405 3.441 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 -5.758 11.027 5.018 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 -3.853 -0.905 -1.190 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 -2.934 -3.853 6.904 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 -0.809 -2.248 10.877 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 -8.041 -0.697 5.354 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 -0.788 7.697 -3.869 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 -13.853 -14.800 -1.981 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 16.193 28.955 -1.298 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 1.878 -0.796 -1.648 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 0.209 0.380 -2.487 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 6.706 -3.083 -1.073 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 3.735 -3.172 -0.370 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 6.340 -4.199 -1.159 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 -9.363 17.446 3.512 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 -2.029 -1.002 2.990 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 -16.828 16.782 -17.483 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 -18.240 -15.370 8.436 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 3.773 1.468 5.114 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 24.209 -2.590 6.334 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 -11.685 -11.139 17.851 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 -0.525 1.123 2.098 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 0.414 -12.631 -4.402 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 3.800 4.381 2.054 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 5.909 6.966 -4.053 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 33.329 18.397 -16.926 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 -17.185 13.663 -3.966 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 5.063 -7.250 0.160 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 4.244 -0.711 -12.734 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 3.668 5.692 -7.221 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 -1.382 2.812 -8.603 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 -4.854 11.330 -7.460 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 -8.358 -15.416 -7.320 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 1.632 -0.744 0.014 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 10.638 -25.029 -6.732 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 -3.476 4.445 -12.717 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 -3.276 -5.137 1.686 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 22.403 -5.790 -19.012 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 -0.579 26.019 33.439 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 -5.731 -0.018 -1.765 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 -6.680 -0.216 -3.971 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 -6.786 3.987 4.450 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 -0.546 -0.548 -1.663 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 4.843 -9.120 20.148 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 -11.969 5.128 -20.775 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 7.643 -0.167 -2.186 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 3.543 -3.362 -6.087 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 8.179 18.737 8.111 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 0.860 -5.481 -0.826 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 1.325 -4.220 1.216 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 1.625 3.525 8.927 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 3.074 4.308 3.726 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 1.001 1.277 15.837 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 7.282 3.084 11.039 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 -0.714 -5.864 0.861 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 3.699 10.440 -4.151 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 35.184 -14.983 35.741 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 1.671 1.397 0.519 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 -4.502 1.737 5.503 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 12.968 0.796 16.795 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 -2.272 -0.163 -0.142 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 3.596 -0.070 -3.039 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 -2.948 -0.306 -1.548 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 -12.981 -2.177 -2.287 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 -9.111 -5.171 1.061 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 -7.309 -6.157 -3.488 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 -3.386 3.069 5.180 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 1.578 7.538 -11.362 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 8.266 11.502 5.480 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 -6.032 5.389 -5.991 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 -6.297 19.714 -11.681 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 -18.546 3.462 2.884 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 -7.793 0.452 -3.578 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 8.234 8.541 4.745 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 -14.819 8.269 -0.806 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 -6.558 -0.644 0.112 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 -4.715 17.040 17.849 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 -11.468 1.649 10.491 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 -3.275 -3.979 -5.769 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 -6.603 -18.368 -24.189 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 -6.018 -5.638 4.408 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 -6.908 -2.795 1.239 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 4.836 16.913 -6.297 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 -11.587 -5.989 4.715 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 3.693 5.913 3.935 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 -4.204 8.839 12.742 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 -18.228 15.018 -6.759 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 -3.032 -4.590 -0.033 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 26.008 -18.325 6.219 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 -9.862 -13.827 -26.885 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 6.257 5.810 4.778 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 1.951 -0.420 -9.272 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 8.269 -21.218 8.171 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 1.102 -0.595 6.886 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 0.723 -10.171 16.248 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 17.355 14.544 10.475 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 -1.895 -11.233 -1.142 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 -17.185 -24.998 -2.716 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 2.983 -16.788 3.809 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 -6.351 -5.740 -2.665 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 -0.384 -4.949 31.268 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 10.466 -38.199 17.733 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 0.293 -1.410 -0.140 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 9.712 -5.180 -6.493 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 2.577 5.237 -1.917 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 -1.483 -7.656 2.636 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 5.653 -1.417 -0.866 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 -4.476 -2.091 9.671 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 -7.757 -4.439 -0.861 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 -30.007 1.915 -13.597 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 10.058 -20.133 -2.733 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 -4.847 -1.112 -5.017 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 -1.784 3.230 -3.288 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 0.408 -4.051 -9.023 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 0.005 1.291 -1.590 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 -2.952 -5.664 -3.335 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 -6.593 1.483 -6.188 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 2.381 3.020 1.321 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 18.269 -19.204 -13.489 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 -14.933 -3.727 11.431 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 0.521 1.562 1.817 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 -2.738 -8.324 -4.856 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 9.541 5.490 -3.521 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 0.093 -6.232 4.069 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 -10.144 -24.975 4.865 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 -5.495 -26.880 2.056 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 -3.297 2.133 3.486 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 9.575 0.728 10.771 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 28.943 -1.264 20.811 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 -3.725 2.554 -3.144 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 0.959 0.989 -5.220 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 11.715 0.322 -11.449 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 3.862 5.440 3.521 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 9.831 28.450 8.829 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 27.853 -1.669 -13.437 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 -0.972 -1.824 -3.550 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 17.908 1.958 -11.931 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 22.516 2.086 -28.695 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 10.148 2.765 -2.358 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 19.474 -10.210 -8.537 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 16.129 0.406 1.524 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 1.170 0.429 1.700 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 -16.475 -5.997 -4.660 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 7.832 4.136 4.502 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 -4.925 1.294 4.971 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 13.115 3.941 -10.407 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 -5.122 4.106 6.765 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 2.932 -2.833 1.898 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 20.101 -4.687 -5.521 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 -3.004 -6.275 15.123 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 4.566 0.102 1.865 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 4.335 -5.148 -11.359 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 -10.996 -14.301 14.601 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 2.467 -5.426 -2.289 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 1.766 -25.046 7.462 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 -5.736 9.694 13.426 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 -0.469 -6.619 -6.150 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 -2.091 12.663 -25.621 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 30.374 -1.058 2.595 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 5.233 1.726 3.628 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 -3.565 -18.250 5.896 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 3.315 19.329 -2.153 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 0.693 -4.692 -5.113 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 -8.302 -6.470 4.231 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 7.295 -10.065 -6.280 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 -3.152 0.958 4.774 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 -4.189 -8.002 -4.112 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 8.149 3.075 -22.780 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 1.187 0.459 0.337 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 -13.499 -18.266 -10.936 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 -19.272 -1.458 -4.814 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 5.178 -5.585 -2.593 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 0.438 6.714 -3.927 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 0.970 -10.835 10.715 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 2.168 5.252 1.720 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 -21.905 16.251 -2.814 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 -2.008 8.091 0.940 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 -1.005 2.848 1.403 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 -10.243 -20.702 27.654 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 -12.687 -3.254 -17.801 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 0.561 -2.988 -0.578 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 14.856 10.417 -12.405 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 -18.234 0.045 -5.559 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 1.530 -9.554 1.904 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 11.354 0.207 -4.198 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 11.645 9.054 12.202 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 1.075 2.664 -6.600 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 -17.313 1.317 7.382 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 11.372 27.352 -18.906 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 8.024 0.318 -4.183 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 9.394 -7.341 6.013 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 -3.980 -4.846 -9.893 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 2.549 -2.492 6.909 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 3.351 -13.134 18.209 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 2.289 6.243 7.009 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 0.016 2.203 -0.989 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 32.383 -15.896 12.390 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 -7.499 -2.498 7.316 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 2.085 -0.003 -1.650 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 5.989 -11.012 -0.518 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 -9.242 9.135 -10.037 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 1.209 -7.313 -2.036 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 25.451 -10.473 -18.402 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 5.277 4.084 10.683 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 3.765 7.741 5.816 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 -1.676 18.348 13.775 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 -6.366 8.220 -6.472 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 1.861 -8.151 0.857 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 -9.955 1.238 -13.288 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 -1.510 18.946 8.818 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 -4.005 -3.249 -1.142 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 0.708 -6.477 -5.991 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 -2.272 -4.638 -4.145 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 -0.244 -2.066 0.534 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 -19.871 -11.105 -4.062 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 5.485 -17.546 -17.059 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 0.569 0.682 4.208 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 0.387 1.129 0.141 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 -4.098 -6.614 -12.139 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 -0.672 2.305 6.439 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 5.225 -2.434 8.556 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 -2.452 3.346 9.463 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 3.004 4.598 7.330 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 -14.795 5.212 -8.062 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 28.053 -7.314 -13.059 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 -5.738 1.059 5.214 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 -35.355 -6.644 -5.134 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 -4.531 4.745 1.888 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 -0.945 13.861 -3.556 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 7.651 29.811 -2.711 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 15.381 -18.883 11.263 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 -7.738 1.731 -6.887 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 -11.936 8.504 -4.605 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 1.074 -8.972 -19.162 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 4.008 -3.014 4.943 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 7.027 -4.988 0.171 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 4.789 2.971 4.794 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 0.276 3.164 7.406 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 -3.909 -0.490 8.948 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 20.430 -1.424 -22.624 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 1.300 2.833 -2.441 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 5.305 -0.036 3.731 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 5.263 1.115 20.473 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 5.507 -3.031 4.062 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 4.611 6.057 -7.262 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 2.411 9.393 -7.155 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 0.232 3.590 -1.500 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 -10.319 -1.245 -4.453 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 -9.029 -1.674 -2.817 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 -0.916 2.963 4.816 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 14.893 14.652 -0.360 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 -14.589 -7.191 8.377 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 5.289 3.813 -2.883 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 -15.027 -10.083 -19.213 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 13.036 20.311 -17.294 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 3.476 6.180 8.630 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 -4.831 -0.380 -28.415 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 17.515 3.089 16.700 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 2.747 6.674 1.469 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 9.281 -11.092 14.004 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 8.325 2.520 4.419 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 1.411 0.173 -4.517 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 1.012 4.285 -0.049 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 3.636 1.615 -13.220 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 -6.790 1.367 -1.236 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 -3.215 -6.255 -2.225 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 8.136 6.201 -5.320 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 4.373 -1.237 -1.285 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 -1.177 -5.380 -26.766 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 33.083 -14.859 5.278 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 2.359 -6.983 4.682 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 6.160 -19.682 4.681 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 -8.597 -31.490 -20.150 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 -1.954 1.120 -6.328 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 3.151 10.079 39.153 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 -21.503 51.994 -26.667 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 -8.288 0.213 5.055 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 -8.722 0.335 -17.149 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 -29.369 12.981 10.120 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 1.542 -2.725 0.281 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 -2.271 -0.959 0.231 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 -7.379 -6.903 -23.149 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 0.317 1.235 -0.881 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 8.566 11.345 18.701 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 -1.757 -1.711 -7.400 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 -8.745 -0.645 -3.491 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 8.292 -11.249 8.915 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 10.101 3.753 1.194 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 3.555 -2.623 -0.154 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 17.470 -8.368 25.415 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 -18.240 33.577 5.945 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 1.269 -2.332 1.598 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 -5.115 -3.956 -1.281 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 5.724 -12.549 -12.978 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 4.211 0.533 -5.703 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 -0.307 -23.902 -10.638 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 -2.412 3.431 10.796 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 0.327 -7.663 3.881 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 -28.731 -22.594 -27.303 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 -11.624 20.933 6.198 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 -3.231 5.438 -4.561 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 -5.925 -29.941 8.015 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 17.127 29.402 -2.571 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 -1.437 6.325 6.808 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 2.158 1.680 0.927 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 -1.027 4.115 11.537 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 1.807 8.832 1.866 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 -11.676 17.478 14.158 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 -2.459 -8.100 10.485 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 -9.269 -0.092 4.331 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 -6.333 -29.777 -8.152 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 -14.338 24.612 20.691 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 -0.192 -5.040 2.874 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 10.848 9.053 -9.312 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 -9.537 -12.400 -1.090 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 -3.814 2.087 5.083 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 -1.253 -0.646 -5.935 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 6.688 5.915 12.102 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 -4.313 -3.556 5.043 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 10.309 -20.475 -1.313 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 4.646 -2.957 8.656 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 -2.952 -3.505 0.479 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 -16.374 -26.294 -15.686 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 -18.512 -14.742 -11.212 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 4.853 6.054 -5.147 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 -5.966 5.589 -18.547 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 33.640 16.895 1.339 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 5.836 -11.531 4.823 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 4.628 8.608 4.446 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 1.445 -36.311 4.205 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 3.368 -5.957 3.961 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 2.742 11.891 6.385 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 26.410 13.503 -2.467 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 3.526 8.959 3.901 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 -4.834 16.424 -6.463 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 4.565 7.279 5.119 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 2.973 8.135 -1.091 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 3.882 10.174 -10.491 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 -16.072 -3.513 -9.401 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 4.402 -7.868 1.414 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 14.330 -8.985 14.684 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 0.146 3.727 3.001 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 3.878 -4.354 2.720 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 -13.573 -8.488 4.949 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 13.294 -19.507 8.572 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 6.158 5.870 1.205 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 -18.774 -3.402 -4.002 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 -2.962 8.705 19.640 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 10.586 -10.371 -1.599 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 14.916 -12.977 -0.622 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 7.063 -1.670 -2.954 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 -0.516 -3.159 0.252 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 15.271 -8.333 3.140 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 -21.945 10.287 -11.300 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 -5.177 3.527 0.586 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 7.873 6.042 23.681 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 -8.089 27.246 -9.575 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 -1.503 1.665 2.872 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 2.088 -7.794 -24.011 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 23.752 -11.204 -28.709 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 1.518 2.727 0.888 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 3.224 4.944 6.553 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 17.823 -4.382 2.060 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 8.976 1.290 -3.783 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 26.839 -7.688 15.317 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 4.177 10.940 -13.531 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 2.940 -0.904 1.967 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 -0.812 4.547 5.960 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 10.478 4.230 0.401 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 1.625 3.928 -3.042 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 18.270 -10.016 -20.674 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 5.848 -6.329 -11.077 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 2.402 0.354 -2.847 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 0.619 0.968 12.181 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 -7.604 -9.867 -9.714 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 1.121 -7.050 -4.537 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 1.893 -29.370 23.970 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 -9.503 -9.263 24.449 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 0.518 -2.492 8.848 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 5.003 -10.672 -29.195 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 2.605 -7.240 14.862 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 0.278 2.515 -3.858 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 10.825 8.658 -11.577 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 11.088 -12.323 -6.588 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 5.082 -1.281 -3.052 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 -9.589 -4.069 -12.325 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 6.386 -13.174 8.271 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 -3.130 4.725 -2.367 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 -11.253 19.372 -26.024 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 11.902 -16.289 -8.652 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 -2.663 -6.189 -3.288 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 -12.297 1.540 -7.053 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 -7.323 -13.398 5.630 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 4.836 -2.012 -3.588 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 7.280 -19.879 1.174 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 -2.138 -0.685 -0.038 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 -2.992 2.440 -2.719 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 3.389 -4.023 -8.207 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 -4.655 13.823 2.390 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 -0.890 -0.135 -3.126 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 9.017 3.898 21.624 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 -4.470 -19.668 -11.986 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 -1.689 -8.326 1.815 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 -1.886 -13.831 -0.722 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 -1.114 9.054 9.528 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 -5.133 -7.064 3.472 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 4.099 -9.755 -2.728 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 -2.898 -10.285 14.639 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 0.833 -1.140 -0.052 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 1.230 -1.581 -2.477 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 3.766 9.051 -4.044 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 2.386 -2.274 1.201 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 -7.603 -3.880 15.284 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 -11.976 -3.959 11.759 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 -8.036 5.067 -4.864 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 2.232 5.032 25.724 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 -8.099 8.835 -2.999 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 -1.783 -1.450 1.416 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 4.531 -9.000 -2.783 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 -1.790 11.965 20.520 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 1.375 3.127 -0.538 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 -1.934 7.329 -2.140 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 -17.112 36.498 20.519 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 -0.679 -4.358 -5.063 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 10.455 6.355 -11.452 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 -24.447 -4.708 2.490 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 -0.392 1.198 0.439 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 8.895 12.023 -4.747 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 -17.367 0.718 0.374 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 9.044 -5.987 2.646 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 -7.143 -28.343 -20.288 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 2.826 -9.255 8.929 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 -1.903 0.190 -6.790 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 18.424 5.745 -14.412 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 -0.337 -20.211 -0.841 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 3.516 1.027 -4.136 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 -13.215 11.558 6.134 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 2.568 -18.467 0.214 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 -1.603 -2.355 0.347 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 29.276 18.720 2.489 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 -1.225 27.299 -15.841 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 -2.592 3.497 -4.426 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 -6.863 13.618 11.340 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 0.071 16.947 -18.965 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 -2.274 1.851 -2.265 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 -11.767 -0.085 -3.831 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 -0.555 13.516 17.029 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 -2.722 -7.913 4.386 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 -4.757 -4.931 -3.380 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 12.140 15.154 -0.822 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 -1.528 1.273 -1.397 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 -1.669 11.449 -3.552 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 -0.223 7.050 -2.385 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 -4.595 3.677 5.967 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 4.710 9.127 -5.076 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 -9.136 3.812 18.999 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 0.074 4.515 -8.512 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 -0.248 15.851 -3.651 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 -7.880 -2.849 -4.916 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 0.244 3.308 0.984 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 -3.462 -2.291 6.819 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 3.786 -27.405 -13.471 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 -2.390 1.079 -1.549 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 -6.219 -23.078 1.185 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 17.739 3.522 9.314 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 -2.435 1.071 1.466 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 -11.849 -15.515 13.016 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 -0.693 1.717 0.798 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 0.129 -2.634 5.398 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 3.574 -27.435 1.589 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 -6.267 3.752 28.923 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 -6.010 2.428 -1.101 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 -25.556 12.917 2.125 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 -6.287 -3.432 0.949 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 0.722 1.302 -2.662 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 3.873 -15.797 -4.594 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 3.771 -1.264 -5.793 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 7.193 6.807 -13.150 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 16.509 3.683 16.550 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 -17.293 8.989 15.838 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 -3.819 -2.681 2.319 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 -16.081 25.110 -0.701 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 -10.813 -9.423 -33.350 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 3.445 2.575 -5.200 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 10.908 2.866 7.769 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 -8.005 -27.675 2.981 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 3.320 4.770 1.987 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 -13.727 42.016 6.213 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 -1.523 3.217 1.704 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 2.065 -1.255 -4.738 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 -37.926 9.120 -22.079 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 -1.767 -16.887 0.067 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 -0.214 -1.823 7.357 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 -12.256 9.473 -3.152 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 -19.820 -18.329 1.237 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 -2.201 4.675 7.702 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 6.190 -8.127 -1.006 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 7.930 -5.168 -11.478 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 9.879 3.831 3.810 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 12.741 4.363 1.407 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 6.082 6.191 -1.558 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 5.332 -1.313 0.019 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 6.017 -2.383 3.643 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 0.757 -2.181 -1.876 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 11.010 -7.633 -4.740 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 26.615 22.149 12.338 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 13.898 0.710 0.640 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 0.005 -1.210 0.964 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 26.120 -1.029 11.328 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 27.438 6.004 13.956 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 -0.558 -3.050 -3.635 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 -3.280 17.267 -5.150 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 -8.497 -10.975 -16.716 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 -3.644 2.802 4.121 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 -6.696 7.491 3.568 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 -9.064 -0.764 5.002 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 1.071 3.155 5.712 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 0.766 -22.162 -2.329 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 0.774 19.272 13.201 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 -2.778 1.767 -2.055 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 -0.613 17.280 9.072 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 7.011 -7.834 1.591 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 -0.833 11.019 6.796 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 -14.788 -6.960 -15.175 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 -7.110 2.744 -3.148 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 -0.781 0.893 -5.667 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 -0.153 1.572 -8.859 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 0.253 4.484 -7.610 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 0.404 6.710 0.065 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 -0.738 5.562 0.227 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 8.979 9.394 -21.945 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 -2.738 -0.006 4.988 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 0.760 8.193 18.967 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 8.085 5.703 -6.241 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 3.157 0.573 -2.670 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 18.070 -3.190 3.483 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 -0.431 -2.081 -3.883 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 -6.068 -0.164 -5.029 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 -18.062 14.531 -7.499 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 -4.564 -1.589 -4.439 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 13.854 -0.360 -6.116 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 -7.398 2.196 -1.841 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 8.303 -2.073 -16.685 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 -1.121 -7.124 0.838 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 -2.499 -8.525 -2.516 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 3.398 -7.675 -1.516 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 0.797 -3.748 1.460 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 0.840 -10.293 6.418 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 4.645 13.815 -18.839 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 0.285 -2.441 -5.162 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 7.626 -6.659 21.914 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 2.384 0.076 -7.480 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 -6.433 1.092 2.410 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 4.356 4.022 -12.440 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 -5.264 6.017 7.127 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 -7.388 -1.987 1.242 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 -7.536 9.852 -6.294 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 -6.376 -6.259 -18.865 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 -0.836 1.132 -11.037 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 21.516 21.248 -11.676 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 -10.175 8.264 13.816 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 5.975 -3.856 0.341 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 11.502 -6.826 3.778 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 -9.186 8.847 2.832 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 2.281 -0.938 1.334 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 9.495 -7.849 10.098 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 -4.373 10.117 -8.360 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 -2.580 4.449 -1.742 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 -17.968 -13.857 15.482 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 -15.654 -1.687 1.981 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 4.680 0.214 -7.990 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 -23.795 17.091 -8.765 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 2.002 2.188 -8.481 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 1.299 -2.346 6.559 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 -26.611 -6.591 12.351 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 -2.547 9.196 -15.454 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 0.181 -1.348 1.233 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 -14.317 -7.106 -6.115 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 12.508 -3.870 -3.562 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 -0.165 -5.767 5.122 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 0.557 -3.287 7.057 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 2.560 -4.870 1.744 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 4.109 2.776 5.365 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 2.842 8.925 10.986 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 7.253 -10.041 -7.051 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 0.767 -7.427 4.149 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 -0.538 3.318 2.032 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 12.715 5.192 16.587 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 0.897 -0.662 1.927 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 1.110 -7.716 6.336 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 5.318 -6.329 12.266 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 -1.618 2.265 7.261 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 6.387 2.734 19.130 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 8.085 -7.864 7.780 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 -1.460 -3.340 -0.346 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 2.574 22.240 0.268 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 -2.598 -18.327 -10.752 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 6.864 7.015 -0.783 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 4.092 -20.268 -3.179 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 10.467 4.547 2.637 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 3.117 7.994 9.619 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 5.489 13.163 -10.372 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 15.747 -38.679 -1.681 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 -3.482 1.754 1.330 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 -17.825 -1.703 -8.780 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 0.832 0.545 23.603 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 -3.024 -0.811 -4.013 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 -10.656 16.314 6.694 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 3.492 -20.544 -16.083 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 -7.302 1.135 1.432 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 -13.829 -10.796 -12.891 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 -4.165 23.459 30.853 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 5.049 -4.453 -3.599 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 -3.784 -4.262 -20.138 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 13.037 4.290 11.400 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 3.551 9.256 -0.190 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 -21.404 8.185 -3.369 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 28.946 10.346 5.425 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 -3.560 2.528 -0.700 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 -34.323 14.119 13.907 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 -6.684 16.650 -32.154 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 -7.585 -2.303 -2.099 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 -1.353 -1.746 -2.306 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 13.552 1.202 -23.227 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 -0.763 3.069 1.795 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 12.656 -7.654 -4.441 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 9.332 -5.117 -7.238 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 4.603 3.096 1.737 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 4.355 3.310 1.892 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 -1.664 -2.701 11.101 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 6.783 1.841 4.992 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 7.415 18.136 -8.611 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 -5.679 5.052 12.653 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 -1.994 -2.273 -0.212 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 6.902 -1.170 -2.397 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 1.313 -5.272 2.412 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 0.294 4.055 3.609 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 -11.001 3.619 -24.379 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 38.292 27.332 18.038 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 2.930 3.053 0.725 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 11.244 0.610 30.926 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 -20.614 -15.300 -8.239 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 -3.098 -6.337 1.439 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 -5.900 5.782 2.448 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 -10.713 -5.943 -8.089 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 -0.442 4.547 -2.079 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 10.501 9.728 10.620 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 6.258 31.580 -5.451 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 1.987 4.965 0.415 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 8.433 7.898 25.376 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 -3.865 -0.793 12.580 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 2.150 3.426 -2.972 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 3.288 2.941 -3.005 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 -16.052 10.960 -3.598 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 -2.234 8.517 0.957 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 0.954 -0.430 -24.472 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 -14.175 -36.998 -21.814 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 1.864 -4.837 -2.227 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 -0.712 -1.487 0.308 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 -2.873 -3.738 2.074 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 -1.883 1.538 -2.386 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 4.646 5.503 -9.059 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 4.581 7.280 -11.306 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 4.204 -3.012 0.801 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 0.072 3.090 -12.336 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 -2.712 -2.442 8.594 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 0.427 0.733 -10.478 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 2.458 6.259 -13.490 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 -3.860 11.845 17.280 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 -1.545 0.189 -3.711 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 0.150 2.170 -8.134 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 5.992 2.509 2.932 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 -3.606 -0.626 5.814 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 -0.397 -8.247 5.646 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 -3.600 3.432 10.040 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 -0.812 4.036 -6.763 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 9.745 -0.084 7.963 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 -7.193 -23.494 -7.790 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 2.500 -0.654 2.303 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 -1.740 -11.659 6.225 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 16.217 -22.905 -3.468 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 -0.352 -10.151 -6.906 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 -1.394 -2.412 -16.086 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 -14.290 -15.226 -17.572 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 -1.489 3.355 -0.297 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 -10.056 1.902 -13.353 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 -24.365 13.801 9.399 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 2.253 -3.923 2.085 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 3.862 16.608 12.113 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 6.994 -25.973 -0.352 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 2.168 8.928 0.029 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 -10.477 7.252 -5.508 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 20.405 -1.214 13.319 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 6.621 -8.945 -3.092 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 4.045 -16.498 -4.808 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 -3.724 5.754 -3.627 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 -0.555 -0.104 4.544 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 14.417 0.291 3.832 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 8.635 3.749 29.102 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 -4.566 -0.278 -0.621 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 15.457 -11.715 7.422 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 -34.160 22.280 -10.658 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 -4.432 -15.704 -7.200 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 -9.010 -8.253 8.923 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 9.542 -4.884 -13.508 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 0.596 -2.658 7.847 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 2.984 19.886 5.184 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 3.956 2.316 -0.779 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 -2.463 -8.039 1.113 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 2.827 4.545 -3.812 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 5.285 -1.782 1.359 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 0.860 -2.527 7.467 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 12.629 3.607 14.798 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 -5.500 7.167 4.448 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 3.046 -2.511 4.608 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 5.632 36.911 -19.458 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 -0.753 3.539 -10.318 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 6.474 -4.376 5.575 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 6.576 6.525 -12.860 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 -18.737 11.580 14.525 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 7.124 -8.377 0.890 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 3.204 -11.834 -13.541 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 4.994 -1.196 -2.670 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 -1.284 4.314 3.742 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 8.230 -18.515 7.785 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 6.054 -1.061 -12.124 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 -1.848 2.245 0.802 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 15.042 -8.482 -6.503 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 -3.270 1.748 1.161 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 -5.996 -10.122 -0.360 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 18.927 -13.657 -17.226 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 7.333 -8.906 14.748 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 -4.333 -4.792 1.559 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 -10.383 1.886 -14.942 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 -2.347 -17.419 7.894 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 2.230 -1.571 -4.099 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 13.779 3.307 -8.481 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 0.026 -14.340 23.302 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 0.559 1.468 2.295 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 -25.832 20.015 19.441 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 2.750 6.574 8.963 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 -3.949 -0.410 1.852 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 1.275 -3.671 -2.049 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 -15.060 14.285 15.382 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 -1.546 0.502 4.673 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 -1.912 -1.151 2.829 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 -3.376 3.343 5.760 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 2.728 2.057 4.589 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 6.925 1.240 1.553 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 4.558 0.437 7.858 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 -1.200 -4.505 -0.015 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 -4.633 -11.119 -4.198 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 0.077 -12.377 -1.798 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 -1.619 -7.082 -5.458 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 -7.915 -4.654 -6.638 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 -6.454 -0.034 -6.365 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 -1.951 -2.814 -3.405 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 -0.943 -9.683 -15.881 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 24.725 -8.072 0.955 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 -2.975 -0.007 0.611 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 7.895 -3.710 15.240 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 -12.996 10.319 27.205 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 -0.699 -7.552 4.005 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 -2.272 -11.750 7.580 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 -13.713 -0.010 23.931 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 -2.165 4.060 -8.261 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 7.510 2.587 -10.119 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 -7.835 5.104 -6.748 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 -2.544 -1.434 -5.295 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 27.107 20.051 2.174 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 2.493 -11.917 3.354 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 0.596 -5.829 13.027 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 28.421 21.423 -14.283 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 -29.826 -20.719 13.721 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 -5.677 1.971 0.485 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 -17.233 0.516 3.483 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 -20.766 0.082 3.645 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 -4.910 -2.004 7.383 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 -7.430 2.364 4.353 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 6.202 -4.090 0.305 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 0.790 -0.451 2.123 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 -6.653 0.428 25.610 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 8.301 38.590 -12.544 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 1.259 -1.679 -3.160 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 1.717 1.512 -4.514 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 2.850 -7.999 -3.080 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 -2.301 1.300 -1.348 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 10.955 15.219 2.192 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 -1.845 5.089 -4.032 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 -0.566 5.590 -3.364 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 4.087 3.572 -4.697 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 -2.233 7.973 1.242 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 2.590 3.247 -0.906 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 -10.003 -2.396 -0.688 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 -8.835 -9.826 2.564 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 -5.185 -2.334 3.192 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 4.720 1.397 -27.172 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 10.227 -16.069 5.725 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 5.440 -4.907 0.636 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 -16.337 14.215 -2.797 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 20.804 -7.778 5.172 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 -4.405 4.209 0.474 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 -5.726 19.918 28.160 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 -4.651 2.977 8.298 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 -5.178 0.067 -1.000 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 -16.613 -1.900 -1.550 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 -8.107 6.736 -14.550 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 -3.174 -1.292 3.419 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 10.359 -8.730 33.558 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 18.022 -8.063 -5.786 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 -6.050 -4.298 1.986 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 1.159 -0.261 24.699 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 12.781 7.931 -3.900 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 -2.212 -0.076 4.746 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 13.442 -9.464 16.857 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 -9.929 2.560 0.714 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 -6.471 -4.877 -3.654 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 2.851 14.699 -3.161 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 -16.075 -18.725 7.879 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 -0.707 4.353 -2.269 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 0.745 -0.109 -2.896 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 -4.118 -7.572 -12.617 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 0.684 -1.564 3.379 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 -3.462 -7.632 -17.555 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 22.615 -1.618 6.551 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 2.543 -1.577 4.097 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 -1.037 -0.007 4.542 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 2.443 -4.879 4.909 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 2.131 -1.264 -8.546 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 25.321 9.790 -10.652 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 20.151 11.991 5.902 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 8.933 3.774 -1.416 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 16.745 21.319 -23.017 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 11.698 4.935 -13.389 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 -1.435 -4.305 2.011 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 4.893 -4.470 -0.768 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 21.354 -19.055 -12.453 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 -2.195 6.243 -5.760 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 2.402 0.433 14.434 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 -5.155 5.468 -1.590 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 1.670 0.361 -4.386 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 -11.856 -4.804 29.788 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 -18.015 3.894 -4.677 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 11.060 3.881 -5.923 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 11.510 -2.914 -6.917 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 -1.524 -7.277 -11.778 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 -12.519 0.616 -1.255 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 -15.895 -15.931 1.271 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 16.630 -4.915 7.890 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 4.404 4.935 4.197 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 -2.073 23.009 4.413 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 18.506 12.216 -6.394 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 -1.695 0.289 1.504 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 14.537 -13.942 -6.778 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 11.633 -6.128 0.549 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 -2.746 4.202 -0.912 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 -6.124 -2.766 9.983 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 -10.672 11.716 7.799 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 -1.307 -5.023 2.540 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 -5.427 -23.246 12.740 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 -1.119 11.834 -6.243 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 2.840 -4.643 4.393 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 8.117 -6.861 -5.536 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 -3.712 -15.188 5.896 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 -0.878 3.924 4.726 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 10.813 7.855 5.679 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 2.362 -0.872 -0.013 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 1.540 -6.449 -2.534 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 -8.166 -21.890 -9.068 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 2.478 -4.428 0.435 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 0.889 -2.856 5.392 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 16.406 -1.683 17.411 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 -22.103 -4.711 -16.363 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 -0.844 -2.259 -2.128 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 2.185 9.322 0.522 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 15.103 10.150 5.160 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 0.434 -5.873 1.415 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 -9.727 -10.480 1.187 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 -7.491 -6.432 4.558 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 1.151 -7.016 -7.388 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 -20.540 -9.629 7.197 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 -14.300 -4.029 -0.326 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 -2.884 -8.659 -4.505 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 -11.737 -7.718 -8.845 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 -11.126 -5.440 -11.807 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 -4.800 0.685 -0.293 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 -5.858 1.639 6.528 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 4.885 7.183 -3.277 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 -3.050 -3.713 -0.675 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 -3.280 1.453 0.611 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 -10.885 -3.686 -5.198 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 1.879 -5.978 3.158 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 -1.758 -12.779 2.079 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 -3.134 15.342 26.427 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 -0.155 -3.557 -1.205 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 15.843 -3.687 2.513 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 -1.906 -16.595 -11.877 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 0.524 3.045 -2.726 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 5.840 2.564 0.295 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 3.530 5.185 -8.347 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 -0.242 4.350 -0.525 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 15.623 -0.375 28.400 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 9.524 19.928 -26.067 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 3.312 3.795 -1.808 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 12.723 -1.125 4.827 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 6.364 2.216 -0.042 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 -3.086 -4.520 -4.677 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 3.676 -7.788 1.360 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 7.290 19.458 -1.508 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 -1.977 1.444 0.051 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 12.429 13.907 -39.348 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 -5.690 -45.611 -8.091 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 0.580 -1.115 -4.398 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 -1.950 1.854 -4.922 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 -6.277 1.173 15.096 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 -3.867 0.793 0.100 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 3.487 -10.382 -14.231 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 -7.240 -4.846 -4.669 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 10.690 3.040 -0.102 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 6.979 0.797 -12.715 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 19.915 8.211 -15.734 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 -2.168 1.609 -2.803 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 0.128 -27.421 -7.643 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 8.875 10.783 -23.781 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 0.892 2.427 1.938 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 -4.196 -7.239 0.009 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 0.937 2.457 1.979 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 2.710 -6.427 -8.476 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 -39.470 9.383 13.244 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 30.049 15.033 14.699 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 -1.132 0.410 4.231 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 13.925 3.940 0.686 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 -16.000 3.440 7.288 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 6.285 1.120 -0.889 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 10.802 -4.638 5.780 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 19.421 -8.175 -6.145 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 1.387 7.343 0.514 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 -4.445 11.618 -2.634 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 12.292 -10.631 1.039 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 -3.562 5.755 -5.154 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 26.394 13.530 -8.180 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 24.150 -15.535 11.653 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 3.620 4.885 -1.693 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 -10.167 -8.396 -8.492 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 14.641 -2.830 -20.458 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 6.611 3.493 0.450 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 -5.247 8.051 -5.606 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 16.486 16.955 11.980 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 8.877 -2.829 1.003 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 1.821 -0.862 5.609 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 4.327 -14.589 -3.607 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 -2.735 -0.862 0.590 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 9.209 -11.370 -1.656 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 -12.355 1.776 -1.275 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 4.971 -4.974 -1.499 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 18.097 -9.536 -4.138 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 -5.290 1.063 1.158 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 0.309 -1.910 -3.764 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 -24.181 13.580 -1.096 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 14.183 4.631 20.209 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 -8.207 2.019 -0.259 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 -3.331 -13.085 -21.422 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 -0.231 -17.322 -18.213 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 6.137 1.165 -2.417 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 10.441 -2.807 4.766 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 7.479 5.256 3.327 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 0.700 -2.766 1.150 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 0.464 -10.265 4.541 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 -6.060 2.650 -3.479 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 -0.749 -1.636 -2.571 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 13.501 -13.197 20.248 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 1.351 -2.436 11.439 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 3.034 -6.021 1.477 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 1.971 -6.867 1.221 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 0.235 -1.229 3.680 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 -1.341 -0.692 0.500 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 -1.945 4.829 18.057 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 13.228 9.960 -5.821 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 3.871 -5.791 -2.502 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 14.078 -15.760 -3.370 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 6.020 -8.262 -8.600 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 -0.193 3.726 -1.824 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 -11.653 -4.001 -4.563 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 2.531 10.598 -13.601 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 5.754 -7.297 -1.772 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 6.645 -6.128 -8.374 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 5.574 -2.304 -0.437 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 -0.730 3.234 -3.436 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 20.256 7.629 6.326 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 19.445 11.330 8.016 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 5.891 -2.312 1.348 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 -19.671 36.489 -6.775 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 4.364 -1.162 10.984 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 -0.541 -2.170 -1.174 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 1.269 -8.767 -16.538 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 3.727 7.958 -6.524 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 3.144 -1.605 5.699 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 -35.730 14.962 28.362 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 -14.768 9.272 11.091 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 -0.672 7.011 2.761 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 -7.502 -18.251 19.725 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 11.531 10.928 2.547 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 2.702 5.046 2.897 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 4.333 6.595 17.437 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 7.516 -7.629 0.094 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 2.392 5.439 12.333 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 -21.642 11.174 -8.178 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 -26.391 27.910 -6.630 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 -3.484 5.278 2.978 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 -12.822 5.690 18.713 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 -12.762 13.892 3.891 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 -2.151 -2.580 -1.018 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 12.430 -4.664 11.050 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 10.082 -10.954 11.744 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 -4.034 4.660 0.768 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 -6.649 -0.115 -3.404 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 2.619 -5.036 -9.519 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 0.484 -2.430 -2.773 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 -7.823 -17.208 19.231 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 -16.189 -31.517 -26.373 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 0.823 -3.929 0.439 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 -0.769 -11.288 20.978 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 -13.125 1.011 -29.891 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 -5.468 2.316 -5.574 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 -3.588 14.749 23.386 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 -18.787 -2.443 -35.110 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 -3.599 -1.375 3.493 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 -9.728 -15.701 21.784 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 7.089 -7.405 -0.706 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 2.233 -5.671 1.577 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 11.840 3.077 2.295 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 8.213 -0.195 -1.426 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 -2.513 -4.014 -4.108 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 -21.451 -3.790 10.553 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 7.457 2.004 10.889 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 -0.577 -0.384 -4.131 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 -8.348 6.254 12.781 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 -12.689 -15.991 -7.880 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 0.470 5.884 5.739 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 0.900 11.027 13.111 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 -5.966 -12.577 21.370 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 -0.540 -5.381 -6.506 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 -3.353 -16.419 26.402 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 -0.528 -2.548 -12.794 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 1.816 -0.791 1.705 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 4.062 0.006 2.433 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 -0.124 -2.534 0.882 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 -0.771 -0.583 -0.759 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 18.683 -9.100 -9.904 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 -3.491 -9.824 -12.657 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 -2.530 1.928 -7.423 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 4.670 -2.165 -5.827 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 -6.672 -11.050 0.598 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 -0.045 -2.245 -0.944 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 14.604 -16.057 9.327 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 -20.307 20.484 -12.617 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 4.544 -4.180 -1.024 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 15.999 2.082 35.772 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 -8.691 14.040 -16.268 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 1.968 0.492 -0.190 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 5.359 -4.804 3.585 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 0.511 4.824 -1.412 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 -3.423 -0.220 -3.945 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 11.123 12.479 -9.625 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 -14.551 -11.727 -1.084 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 -1.101 -4.209 -4.685 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 -37.046 13.323 8.139 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 24.815 -14.522 -10.230 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 -1.033 -2.620 1.673 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 -2.289 6.044 -11.080 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 -15.768 -1.937 15.720 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 -4.469 -1.300 4.929 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 3.540 7.367 6.327 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 -7.963 -6.596 6.171 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 -2.602 2.175 -3.900 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 -18.991 -4.584 -28.933 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 -3.519 31.504 -4.090 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 8.562 -0.395 5.438 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 10.415 -2.445 16.054 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 11.391 -2.410 23.194 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 -3.245 3.201 6.706 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 -2.009 -0.922 7.669 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 -5.059 4.556 7.866 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 4.645 0.257 5.661 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 3.322 -3.370 13.811 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 6.635 6.834 4.937 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 -2.193 -2.869 2.264 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 -2.370 4.315 -4.753 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 1.449 8.668 2.170 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 0.135 0.998 7.468 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 1.447 21.537 13.887 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 -1.586 -10.411 3.021 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 -3.840 1.962 -3.776 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 -0.433 6.352 5.766 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 -0.536 6.050 4.554 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 -2.248 3.239 0.533 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 10.931 -5.093 19.928 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 -11.678 -7.152 16.628 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 2.338 0.010 0.127 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 12.853 13.393 -1.459 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 8.084 17.092 -6.774 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 1.649 -0.635 -1.829 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 9.044 18.003 -8.933 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 -37.316 -16.724 -9.002 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 -8.392 -4.583 3.645 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 -8.711 -1.300 16.502 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 -34.336 -19.983 -18.971 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 -4.593 3.090 1.898 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 -13.682 8.153 1.695 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 8.894 -3.470 -2.070 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 -6.117 -0.857 -0.518 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 -9.084 0.497 0.857 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 5.742 -1.422 6.317 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 0.099 11.890 4.489 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 -8.648 6.084 14.223 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 -3.363 5.456 -8.827 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 -4.240 -1.178 6.288 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 -10.933 16.953 12.696 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 19.061 -5.534 23.971 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 2.520 2.276 -4.474 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 -32.807 -16.505 -3.466 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 5.171 14.449 31.126 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 -1.933 3.015 -0.886 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 18.191 -0.751 -5.766 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 16.017 -8.149 -1.659 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 -2.249 2.303 -0.553 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 -27.829 -7.959 20.117 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 10.897 7.896 -11.227 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 7.029 2.072 0.299 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 0.728 -1.439 -2.606 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 -1.246 10.384 1.662 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 0.996 -0.740 -5.066 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 3.987 5.921 14.725 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 -21.918 -3.493 -13.985 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 0.400 6.011 -2.509 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 1.386 6.260 -1.260 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 1.321 6.730 -2.196 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 0.183 -1.478 5.499 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 -13.420 4.206 8.141 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 3.448 5.097 -5.800 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 -2.969 0.493 4.241 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 -13.065 -0.656 -1.146 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 -22.744 13.978 -3.775 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 -0.067 4.591 -1.208 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 6.838 -3.079 -17.125 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 -27.357 18.691 -3.698 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 5.305 -9.992 2.067 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 13.494 -34.306 -13.166 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 -3.154 -11.040 29.941 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 -2.475 4.281 2.304 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 -8.963 -3.117 7.135 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 -22.658 14.480 1.393 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 -2.168 -6.490 8.263 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 -39.716 -0.349 19.056 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 0.299 2.222 -27.024 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 -4.526 2.820 -0.147 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 13.865 0.648 -10.939 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 -11.539 -22.281 0.017 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 -2.761 -2.372 0.961 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 -7.116 4.210 4.293 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 3.821 1.674 -3.929 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 1.406 0.703 5.159 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 -1.209 15.596 6.745 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 1.499 -1.581 2.886 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 1.553 -8.198 0.668 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 29.856 2.127 6.973 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 -18.308 1.105 1.048 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 -2.770 8.042 4.163 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 12.184 0.746 -3.827 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 16.328 3.043 -21.741 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 0.853 -3.380 1.031 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 -6.653 4.150 12.914 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 -6.826 -0.777 -3.941 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 -0.212 4.707 1.940 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 8.373 -11.542 10.157 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 -21.162 22.590 -6.465 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 -0.085 -1.780 -1.384 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 -0.351 -2.378 -24.202 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 -0.200 7.030 6.299 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 -2.173 3.224 0.355 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 7.980 21.376 -0.617 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 17.143 -6.161 -3.672 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 1.927 -2.943 0.071 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 17.349 -17.327 -21.341 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 1.498 25.183 5.072 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 5.800 -4.213 0.591 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 6.604 -2.050 4.716 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 -5.048 -8.739 7.588 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 -2.490 -7.084 -2.943 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 1.857 -10.588 -6.062 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 -3.122 -10.988 -18.301 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 11.331 -0.223 4.349 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 -15.801 -5.414 5.378 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 -2.214 -5.830 -5.442 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 -1.976 -4.607 -12.110 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 17.612 12.633 8.110 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 -24.016 25.341 -22.193 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 -8.007 -0.074 2.136 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 18.750 -27.402 -20.044 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 -12.606 5.985 8.404 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 2.402 -2.536 1.767 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 17.869 -10.930 -27.902 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 -0.309 11.384 3.226 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 3.278 -2.624 8.711 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 -0.449 -2.631 6.943 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 6.990 1.149 17.289 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 0.344 -5.820 -4.853 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 -33.342 1.467 9.224 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 -3.869 -6.173 -2.184 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 0.526 -3.481 -5.774 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 -18.196 -0.052 9.021 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 18.896 16.865 5.010 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 -3.078 5.158 -0.850 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 -7.023 -6.535 19.113 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 -4.086 20.275 -5.091 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 0.022 5.966 -3.417 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 4.125 -4.606 -20.785 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 -3.895 1.246 -4.351 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 1.387 1.755 -0.729 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 -2.751 -4.957 -1.417 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 9.892 -12.024 -0.724 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 -0.684 0.516 2.359 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 -12.227 -4.278 -13.862 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 -11.156 -3.166 -3.774 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 -4.056 2.736 -1.157 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 -6.982 5.071 -1.210 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 -13.247 -11.709 -17.172 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 -0.578 1.425 -0.186 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 -19.934 -13.480 13.174 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 10.046 13.337 3.872 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 -1.645 -1.677 -3.498 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 -15.201 7.689 31.441 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 -2.379 -0.855 -0.091 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 2.775 7.510 -4.078 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 11.612 2.556 -4.410 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 17.826 -2.217 -11.650 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 -3.499 -1.038 4.828 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 8.289 3.973 20.670 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 9.063 -5.440 -10.617 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 -1.135 3.734 3.837 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 -8.983 4.654 -6.093 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 -29.615 -29.791 -20.961 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 -5.986 9.247 3.513 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 6.329 20.483 8.648 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 -14.522 6.381 1.006 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 2.204 4.526 -3.686 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 8.609 38.575 -7.775 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 -25.849 -19.039 -1.358 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 3.883 -2.153 2.056 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 -4.998 7.663 16.642 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 3.696 -2.450 1.493 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 0.437 -1.581 -4.456 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 3.587 -12.762 -31.621 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 -0.995 -12.366 -25.861 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 -1.418 -3.082 1.250 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 -12.334 28.030 31.325 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 -16.126 -11.055 -28.271 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 -3.011 -9.710 -4.770 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 -22.693 -8.713 3.819 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 12.838 -8.098 -12.155 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 1.693 0.317 5.407 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 15.859 3.243 17.976 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 4.459 28.495 3.641 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 3.376 0.140 -4.529 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 -13.929 23.897 -2.586 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 3.223 -0.513 -7.191 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 2.501 -1.515 -0.981 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 -12.902 -0.834 14.767 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 -7.230 7.247 -13.013 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 4.426 1.201 -1.244 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 -5.980 -18.307 -9.693 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 3.282 3.444 -1.124 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 1.371 -3.739 -5.303 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 -10.448 -5.275 -18.403 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 11.347 6.688 8.827 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 2.793 -0.447 5.681 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 10.941 0.640 24.445 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 21.931 17.421 -13.707 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 -4.020 -1.843 0.547 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 -26.294 -10.371 20.584 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 -10.713 -0.070 6.539 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 -5.822 -5.201 -0.462 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 -3.074 2.629 -5.744 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 -4.259 -13.106 -7.166 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 -0.404 5.526 3.337 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 -1.524 -0.372 13.868 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 6.195 4.489 2.381 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 0.160 -0.447 5.687 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 12.560 33.602 -11.582 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 -5.869 5.929 -10.881 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 6.340 -0.870 -0.548 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 12.093 3.762 -28.988 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 16.933 18.617 7.379 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 -6.996 2.408 3.988 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 2.316 21.511 -8.289 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 24.257 9.402 -10.219 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 1.763 0.256 2.139 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 4.211 4.181 14.199 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 5.937 5.999 4.145 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 3.199 -5.627 -2.127 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 -0.954 4.808 1.715 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 -11.488 -12.056 16.872 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 -1.447 -1.281 -8.165 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 -14.242 -5.439 3.550 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 -0.101 -12.401 -5.831 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 3.433 -7.238 2.935 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 13.282 -30.157 9.518 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 8.660 -1.357 6.615 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 3.372 -0.850 1.018 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 -10.335 1.666 11.622 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 6.611 2.655 9.055 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 -6.476 -1.876 1.449 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 -13.866 6.446 5.634 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 10.141 -27.026 -0.540 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 -2.921 6.749 3.655 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 2.854 21.403 -10.848 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 -12.784 20.032 14.348 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 2.339 -1.658 4.419 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 2.095 8.288 10.522 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 -5.222 8.112 24.777 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 9.393 0.003 0.073 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 -12.796 -5.569 -7.573 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 23.468 -4.001 1.273 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 -2.757 0.425 6.419 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 14.876 45.823 7.019 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 3.092 -8.943 9.060 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 -2.370 -0.716 -1.776 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 10.822 -3.067 29.811 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 -3.936 -7.623 -0.612 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 -7.381 -2.480 -5.824 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 -4.211 -1.651 -5.160 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 -7.767 -2.330 -8.542 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 2.461 -7.207 4.128 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 17.906 -20.422 17.942 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 17.096 -1.637 6.649 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 -0.401 2.383 -4.138 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 -3.152 10.683 -12.607 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 0.681 -27.631 -16.843 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 0.663 6.697 -0.213 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 -2.181 8.010 21.016 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 4.771 11.051 5.611 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 -1.479 -4.743 0.832 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 -7.577 -10.774 3.477 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 0.202 -6.999 -7.703 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 1.458 -7.442 1.043 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 3.449 11.751 9.425 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 -27.599 -34.683 -20.803 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 -1.539 3.962 -2.255 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 0.462 4.493 0.786 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 -4.571 -2.164 3.484 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 -6.251 0.052 -9.523 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 -7.962 -3.055 -1.957 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 13.335 13.636 -29.418 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 -1.757 -3.698 3.932 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 7.053 -2.880 1.640 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 1.201 -4.391 1.402 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 1.335 1.650 -0.141 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 -17.554 17.115 -5.102 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 -1.667 -17.135 -9.767 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 -0.516 -3.073 -1.664 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 10.067 -9.479 -1.589 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 -12.955 -3.822 24.762 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 -2.640 0.517 0.312 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 -31.079 -34.632 -1.876 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 12.021 -7.220 9.185 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 -2.975 -8.003 -12.496 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 -8.714 2.576 -21.427 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 -6.810 -2.016 -10.362 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 -3.179 4.519 2.402 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 9.948 -0.951 5.175 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 -5.888 -6.795 -6.214 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 9.016 -5.501 -1.992 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 29.530 -2.773 -4.335 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 -20.164 -11.718 5.522 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 4.033 1.391 5.316 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 4.443 5.372 22.791 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 4.716 0.728 4.929 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 2.163 -7.599 1.874 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 2.956 -3.038 19.645 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 -6.890 -8.318 -3.490 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 3.237 2.128 -0.583 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 -7.761 4.827 23.543 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 9.163 3.687 -4.452 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 7.986 -1.970 -3.436 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 -8.520 -26.751 10.249 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 -12.939 -3.772 -15.419 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 0.244 -8.399 1.967 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 12.792 -9.561 2.645 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 -9.814 -6.908 3.751 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 -13.749 -0.327 0.292 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 -0.261 9.085 -12.732 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 -4.326 4.715 -4.375 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 3.853 5.403 -0.088 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 6.887 -7.471 -16.667 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 -30.538 7.160 29.028 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 -4.177 5.760 -4.063 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 -3.531 10.186 12.213 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 -6.541 6.194 2.855 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 -4.680 -2.360 -2.959 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 5.534 -15.740 -13.623 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 10.027 18.927 5.332 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 8.939 -3.110 6.167 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 13.035 12.601 4.807 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 15.708 4.431 -11.073 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 -4.102 -5.265 -1.679 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 -10.750 -2.315 12.252 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 -1.860 -4.492 -6.789 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 -5.703 -0.684 2.854 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 -6.908 -3.329 7.892 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 -7.192 -3.054 -0.848 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 -1.337 -5.214 7.880 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 -8.699 -15.959 5.506 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 16.571 13.588 14.388 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 -0.767 -7.818 3.046 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 15.282 -31.844 6.633 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 -6.895 1.215 7.447 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 -1.298 -1.055 -0.295 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 16.927 -13.109 17.337 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 -1.273 -0.872 1.720 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 0.173 -5.999 -1.014 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 19.870 11.523 9.909 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 -11.817 -15.169 -6.584 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 -3.461 -5.147 -1.254 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 -21.453 23.352 -7.336 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 2.835 0.889 -4.594 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 2.043 5.499 7.914 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 15.619 -5.965 -7.482 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 -23.948 13.000 9.100 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 -1.567 -15.902 3.546 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 16.528 17.900 15.973 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 0.893 1.409 -3.698 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 5.908 -2.384 -0.362 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 34.929 -1.389 2.831 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 10.086 -12.545 6.896 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 4.892 -2.376 1.511 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 16.151 3.510 -7.313 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 14.681 3.301 0.854 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 -0.310 -5.867 -5.919 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 -7.326 -2.193 -9.225 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 -36.573 -6.442 -1.687 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 -6.942 0.691 -2.202 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 -9.504 -6.237 1.379 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 1.219 15.468 -7.605 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 -1.815 -3.344 -3.490 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 -0.515 -3.351 -5.077 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 -8.948 15.658 -18.625 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 3.194 -0.390 2.616 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 -21.220 -12.290 -6.589 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 0.664 -3.171 1.044 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 -0.640 5.614 4.268 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 -8.948 -0.052 8.619 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 -5.451 -1.715 -5.089 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 -6.431 3.443 5.858 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 0.693 -14.389 15.021 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 1.006 -32.189 22.075 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 8.404 2.160 5.689 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 10.258 -5.371 3.867 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 0.891 -17.653 4.997 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 -5.540 1.344 -1.243 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 -12.967 13.578 -20.034 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 3.280 1.200 -5.376 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 -0.809 -6.651 -4.337 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 -0.638 3.565 -4.307 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 -3.397 9.154 -1.202 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 5.440 2.892 -7.010 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 3.117 -3.805 -4.236 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 7.071 4.250 -17.054 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 -5.631 3.437 0.156 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 -2.557 1.458 -5.194 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 -6.105 -1.802 -0.105 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 -1.549 -4.413 1.392 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 -2.637 9.618 11.089 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 14.005 0.684 -1.739 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 4.609 0.895 0.855 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 4.490 -5.397 15.023 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 6.623 -2.726 2.452 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 -4.160 0.571 4.472 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 -11.932 4.944 20.361 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 -8.858 -20.234 11.981 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 6.206 1.244 3.164 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 2.440 9.973 -2.346 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 15.494 5.468 7.582 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 9.340 3.412 3.741 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 9.493 -3.836 2.836 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 -4.181 19.941 2.622 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 0.142 -2.969 2.249 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 7.648 -10.940 5.785 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 -18.156 -20.678 -12.502 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 -1.518 -7.470 3.359 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 -5.738 3.895 39.768 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 -0.978 2.431 6.186 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 9.481 -1.802 -0.222 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 -3.289 16.652 -4.002 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 8.644 0.647 -3.505 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 -3.665 -0.068 0.767 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 -2.895 28.458 -1.266 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 -15.914 14.345 1.256 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 -6.735 2.052 12.089 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 10.810 -1.503 -5.182 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 -18.166 5.369 24.937 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 6.624 3.765 0.361 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 6.272 10.344 -2.069 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 -11.674 5.836 8.477 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 2.344 -4.338 0.444 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 -0.033 -20.353 0.247 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 -6.589 9.740 10.573 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 3.139 6.455 -2.032 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 -12.565 -5.217 9.416 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 10.620 -0.176 14.895 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 6.267 10.357 -6.057 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 -8.925 -24.141 18.821 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 -1.535 -10.617 -12.932 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 -0.135 -8.237 -2.245 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 5.436 -10.403 -1.849 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 12.572 12.272 -16.044 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 -1.895 -4.917 -4.159 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 -5.739 -5.142 3.579 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 5.662 -4.645 -2.663 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 1.533 -2.129 -1.435 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 -5.406 -16.402 33.322 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 -3.691 -4.277 -28.978 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 -2.244 0.752 -1.565 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 14.022 20.507 -11.450 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 -10.863 -19.962 15.747 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 6.228 1.339 -3.457 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 8.422 -2.777 -1.925 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 1.909 -13.111 7.492 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 -4.706 4.614 7.209 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 -19.473 4.806 -0.679 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 -0.005 -13.273 7.903 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 -1.462 -9.544 0.823 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 -2.888 -16.751 0.083 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 -10.118 -13.170 13.696 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 6.277 -9.758 -3.635 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 11.050 -5.939 -1.024 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 2.582 -10.471 0.898 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 4.245 2.432 2.015 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 9.568 -3.412 12.848 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 12.456 2.389 -0.381 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 0.261 0.318 3.160 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 -8.966 -2.796 3.862 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 -2.263 -0.527 5.073 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 5.571 6.374 -2.137 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 8.629 5.943 -2.975 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 -4.991 -0.915 6.676 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 1.542 2.202 -0.794 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 4.648 -2.232 -0.633 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 -7.770 -10.409 1.070 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 6.842 -4.590 -4.123 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 8.854 -13.291 -5.255 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 -1.832 15.459 -7.102 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 2.319 -1.027 -5.441 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 3.538 0.332 -5.669 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 5.327 -9.106 -5.521 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 -4.967 7.022 0.961 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 -11.540 9.683 3.300 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 21.276 -2.109 -3.650 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 -1.992 -9.788 -2.400 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 -1.241 -9.900 -6.172 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 3.781 -13.448 -18.464 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 5.586 3.185 1.410 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 -13.597 -1.070 -3.082 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 8.284 22.242 -2.637 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 0.733 -3.887 0.769 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 4.592 -10.629 4.725 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 -7.118 11.208 -4.186 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 -0.749 -2.771 2.148 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 0.211 -9.268 17.838 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 -4.637 -12.824 -7.946 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 3.403 -1.942 3.778 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 1.748 -20.720 -29.027 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 -8.059 12.443 27.532 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 5.483 7.780 0.198 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 -8.411 -1.774 -6.202 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 15.249 -11.953 0.247 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 0.652 -0.291 3.498 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 4.675 8.348 -10.791 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 8.872 23.428 14.191 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 -1.999 2.699 5.202 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 -8.581 -4.257 5.357 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 -13.657 -0.108 3.502 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 -6.121 2.354 -1.217 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 15.816 14.686 9.480 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 -4.900 4.225 -12.522 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 0.367 -0.235 -1.008 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 11.443 -1.151 -2.244 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 4.390 -0.956 -3.360 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 -4.799 -0.602 -9.364 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 -2.312 -9.154 -15.646 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 -11.308 18.258 3.241 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 1.135 -10.704 -5.227 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 18.614 -26.925 -20.846 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 0.603 0.023 5.417 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 1.768 4.584 0.849 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 7.724 -1.777 1.366 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 4.658 10.781 6.090 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 0.295 -0.936 -2.385 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 18.181 -9.162 -13.245 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 12.303 -2.472 18.717 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 -7.505 -2.533 -2.862 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 16.955 3.138 7.781 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 -11.463 -18.662 -9.775 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 -3.857 0.028 0.472 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 -6.636 -0.624 -11.102 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 18.101 -8.155 52.786 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 5.281 -1.492 -0.400 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 16.407 8.656 -3.062 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 10.025 -6.125 15.055 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 -1.402 2.663 0.550 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 -11.277 16.209 5.877 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 8.555 -7.515 2.300 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 -3.081 0.042 8.878 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 1.067 -11.932 11.086 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 -1.549 5.092 2.053 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 4.158 2.618 -1.910 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 -14.259 -0.643 2.424 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 9.660 13.809 15.207 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 -4.037 1.292 -0.265 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 9.970 12.019 -2.210 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 -16.934 8.915 11.171 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 -10.166 -7.325 -5.890 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 -17.485 27.491 31.991 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 14.103 -25.846 -3.460 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 6.486 5.453 -8.725 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 9.260 -0.501 -9.447 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 3.898 4.026 -11.144 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 -2.862 -1.609 -4.315 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 9.285 2.124 -9.192 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 21.220 2.682 -17.193 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 3.089 -3.950 -5.758 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 1.316 -3.560 -6.540 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 4.322 -1.999 -7.133 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 -0.721 -6.771 -2.980 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 -2.432 2.465 -6.320 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 -6.576 -12.392 9.571 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 -0.055 -8.525 3.222 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 8.372 -1.409 -23.452 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 1.817 4.451 1.795 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 4.734 -2.097 0.811 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 15.853 16.868 9.648 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 10.548 1.616 5.785 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 -1.375 3.906 5.951 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 -22.899 -27.547 3.819 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 25.901 32.849 18.000 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 2.595 0.574 4.034 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 4.797 -0.469 8.383 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 16.610 13.183 -5.048 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 -4.048 -2.641 -1.964 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 -5.963 2.266 20.110 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 9.971 9.897 -24.629 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 -2.492 2.767 -0.675 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 20.292 -27.220 -26.760 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 -13.342 19.488 16.296 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 -5.572 -6.679 -7.837 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 -5.922 -6.618 -11.128 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 -5.895 -8.082 -10.878 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 -1.680 -2.037 3.337 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 -5.897 -0.509 -3.938 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 -9.959 4.687 -21.919 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 0.553 1.084 -4.856 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 17.731 -4.477 2.557 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 -11.061 5.469 14.335 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 1.282 -6.760 -3.439 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 -12.135 -27.683 14.893 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 -2.232 27.131 13.288 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 -2.620 -0.061 -1.561 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 10.842 -8.704 -4.194 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 -9.037 -5.574 -17.184 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 1.269 -7.997 -1.923 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 -8.647 -8.841 -8.456 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 10.217 -0.633 8.961 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 -2.625 7.550 1.345 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 0.441 9.151 3.316 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 -33.238 3.952 0.855 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 -0.013 3.848 5.902 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 12.805 -11.683 -0.362 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 -10.921 14.458 -5.715 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 -8.894 4.101 5.017 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 9.486 3.921 18.985 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 -23.913 -11.872 -0.146 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 -2.444 2.252 0.025 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 20.567 -4.233 -8.941 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 7.164 -15.641 -15.776 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 -5.554 -1.759 -2.590 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 -18.264 -14.057 7.906 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 10.842 -15.462 -7.077 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 1.081 -1.043 -6.487 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 2.236 -4.009 3.341 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 2.766 6.478 -1.192 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 2.686 -2.120 0.792 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 -14.060 -9.716 0.751 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 12.803 20.152 -0.369 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 -4.584 7.063 -2.113 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 -3.452 5.025 -3.647 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 -0.266 3.414 -13.753 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 0.361 4.660 -5.072 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 20.022 -19.587 22.844 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 -1.857 4.730 -8.850 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 6.813 2.024 -3.583 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 -0.883 18.166 -7.817 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 9.164 -3.708 -1.869 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 1.245 -2.997 -2.170 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 -2.148 -13.829 10.790 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 14.385 -4.619 -15.588 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 -5.461 -0.798 -4.486 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 -19.918 7.087 -3.162 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 -0.041 2.885 6.504 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 -3.093 0.561 -2.368 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 -11.902 18.662 11.316 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 -24.419 -3.414 -33.540 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 1.617 -5.219 -3.751 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 -11.709 -1.010 3.458 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 -3.145 -12.198 -17.197 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 0.110 7.142 -8.146 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 4.491 4.574 -9.318 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 2.703 7.033 -2.297 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 -2.870 2.156 4.803 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 1.867 0.559 -15.573 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 -16.184 -3.193 1.859 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 -2.765 -0.947 -2.201 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 5.438 -10.770 -15.660 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 -21.376 0.208 -10.350 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 -1.812 2.203 -2.587 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 21.503 23.089 4.753 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 21.411 -0.273 -10.192 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 1.032 7.961 -2.515 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 -2.402 6.892 -4.606 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 -15.800 4.904 -15.206 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 -3.500 2.250 -1.231 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 -4.829 -29.226 4.286 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 -4.163 12.105 -4.811 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 4.347 3.283 -9.808 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 11.886 -2.387 -13.487 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 -11.360 7.329 -3.709 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 -2.802 -1.806 -1.678 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 -12.300 -2.218 29.027 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 28.723 25.348 -19.417 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 -1.025 0.655 -1.187 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 5.847 2.588 11.324 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 13.075 10.976 -27.631 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 9.219 -1.022 1.067 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 -1.619 24.775 -4.973 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 6.173 -3.255 2.897 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 1.729 0.726 0.943 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 12.820 -2.933 8.663 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 6.851 -14.353 -14.347 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 1.798 -1.839 2.243 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 -1.625 -4.403 -9.357 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 9.271 10.104 8.200 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 3.655 0.614 7.499 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 9.360 -6.349 1.889 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 -6.212 11.957 12.304 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 -3.650 -1.289 -1.386 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 4.899 10.048 20.761 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 -0.762 5.046 13.737 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 -2.821 3.763 1.236 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 -10.811 -7.915 2.000 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 13.833 -5.738 25.095 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 -7.889 -0.823 -2.032 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 -13.546 -14.399 0.395 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 5.833 2.238 1.095 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 -5.551 -0.113 5.054 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 -8.223 -7.390 -5.918 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 -3.068 -15.239 -7.652 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 0.761 -5.849 -5.141 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 21.971 -8.423 -8.441 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 -1.025 12.582 5.984 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 -4.035 -7.457 -0.311 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 0.491 -3.448 2.927 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 9.488 -0.256 23.849 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 -3.657 2.317 -1.356 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 19.879 -16.853 -3.826 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 11.319 -15.676 -3.845 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 -2.321 2.315 1.691 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 -2.513 5.616 5.489 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 -2.609 10.950 11.313 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 2.114 -2.627 -2.813 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 -4.170 10.854 3.126 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 5.310 -10.991 -6.094 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 3.739 -3.287 6.872 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 4.990 -34.682 7.900 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 2.594 7.331 6.434 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 1.205 0.893 -1.320 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 5.842 11.486 -3.933 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 -1.622 0.450 8.045 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 2.775 3.955 2.042 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 -10.980 3.894 13.626 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 11.600 9.604 10.635 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 1.244 -5.054 -1.771 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 1.693 -0.374 6.480 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 14.224 1.286 4.835 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 9.293 2.685 -10.639 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 13.345 3.103 -15.407 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 14.302 -1.722 -4.765 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 -5.223 -0.674 -3.381 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 0.512 -4.612 13.197 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 -2.166 5.805 -0.886 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 10.223 -3.155 -0.418 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 5.472 -16.924 -12.766 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 -4.344 -11.750 2.084 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 4.445 -4.252 4.697 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 25.194 -15.717 25.672 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 4.598 13.151 21.347 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 -2.828 2.465 7.312 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 -16.093 -3.942 6.168 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 -18.009 -5.469 -13.879 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 -6.045 -0.105 -1.058 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 -4.158 -3.846 -5.975 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 -1.199 -8.851 2.534 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 -3.500 0.987 8.646 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 -3.037 -2.186 9.586 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 -2.206 -0.387 9.733 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 -0.592 2.150 2.515 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 -8.733 -10.046 9.095 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 7.749 13.876 -5.481 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 1.388 -5.211 2.593 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 18.884 14.397 28.890 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 2.877 -13.458 -7.854 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 1.742 -1.504 -5.780 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 6.462 14.605 -2.273 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 9.865 -6.592 -9.367 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 -1.049 9.864 -3.623 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 6.164 19.726 0.956 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 -4.005 -19.144 0.736 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 -4.840 -0.640 -1.227 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 3.289 -18.575 9.780 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 1.444 18.666 6.227 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 -1.049 2.007 -2.223 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 3.526 11.692 2.891 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 -3.759 7.078 -8.722 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 -6.022 -1.516 -0.436 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 -17.697 2.000 16.497 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 9.414 -12.347 6.381 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 5.099 -2.336 1.810 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 -10.123 -26.913 -15.335 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 -14.675 14.793 12.421 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 4.956 -1.012 4.516 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 -7.615 4.437 16.620 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 19.777 -1.430 -7.637 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 -2.422 -7.405 -1.756 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 5.183 4.532 4.082 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 5.383 -2.149 -8.222 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 -5.412 9.508 4.345 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 -7.285 2.571 -9.868 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 -0.578 11.255 -9.462 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 1.833 -2.443 -1.429 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 12.318 -10.291 -1.388 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 -11.728 8.499 12.795 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 -2.296 -1.571 0.165 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 -14.075 38.009 5.946 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 7.564 1.320 0.103 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 0.970 -0.393 -4.646 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 -1.863 -14.867 2.570 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 2.375 0.348 -4.290 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 4.198 -0.301 3.691 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 5.984 0.335 -9.570 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 -0.303 2.025 -14.442 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 10.116 -1.803 -1.449 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 16.940 -7.020 -2.130 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 25.728 1.467 -26.570 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 6.734 1.023 -1.907 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 17.831 9.033 -6.309 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 -14.427 -12.267 19.777 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 0.347 2.206 5.221 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 0.160 1.525 7.151 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 0.406 4.888 30.435 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 4.359 -4.746 3.511 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 9.318 9.595 -7.875 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 17.948 16.350 13.016 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 1.722 0.782 3.645 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 3.523 18.658 24.099 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 -11.071 10.135 -4.169 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 1.976 -2.558 -1.313 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 -18.042 -17.636 -16.536 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 14.360 -2.702 -16.642 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 1.167 3.395 4.209 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 -5.430 0.092 -1.212 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 -2.338 1.596 1.193 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 -0.302 1.981 4.016 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 -9.274 18.043 -27.325 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 10.663 0.814 2.802 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 0.157 1.880 -8.150 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 4.079 -0.308 1.421 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 -5.406 1.909 15.435 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 0.928 -0.298 -3.267 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 -0.619 10.539 12.174 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 -11.483 15.115 -28.793 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 -0.105 -0.537 4.257 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 1.202 -7.564 -7.631 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 -4.234 -4.069 -3.475 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 -0.751 -2.726 1.721 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 -8.184 11.831 -13.970 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 -6.118 8.495 -0.305 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 5.436 -1.002 2.321 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 11.291 -5.981 -31.059 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 3.986 1.644 12.753 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 -6.481 2.848 3.539 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 2.259 0.463 5.027 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 -16.981 0.986 10.518 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 -6.059 1.008 -2.811 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 -9.244 -1.714 -6.846 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 -0.144 -2.661 -11.441 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 -6.167 7.741 0.775 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 17.384 -7.473 4.753 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 -23.820 -7.890 -18.241 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 5.896 -6.162 1.487 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 3.033 4.611 -12.254 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 26.323 -35.841 32.760 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 -0.644 1.944 -0.084 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 -2.287 0.808 1.938 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 7.668 -3.731 1.156 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 0.435 6.259 -1.315 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 -12.330 9.359 4.184 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 3.571 9.445 4.023 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 -1.393 -5.356 1.857 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 10.865 -6.651 0.314 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 10.974 -6.387 10.389 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 7.300 3.885 5.104 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 16.796 23.119 -7.679 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 -16.584 -1.918 -10.334 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 5.332 -3.868 3.419 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 18.783 14.134 -0.319 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 4.787 -4.982 3.670 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 -2.372 0.640 5.183 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 12.981 7.612 -8.881 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 3.377 -6.178 3.830 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 0.763 4.439 5.900 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 -12.674 -3.940 13.066 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 -4.842 9.761 -7.657 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 9.760 0.193 3.758 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 -9.114 37.543 -6.035 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 -10.682 16.370 -6.949 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 -4.759 -3.241 -2.599 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 -4.288 -14.801 -1.152 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 -42.965 -12.795 8.626 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 2.866 3.203 -3.846 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 11.408 2.481 2.861 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 -0.538 3.637 -6.053 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 1.824 -0.845 -1.269 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 -18.495 -5.648 12.883 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 0.748 -0.999 -1.676 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 2.789 0.451 0.371 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 -5.447 -2.780 -4.104 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 3.839 1.066 3.925 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 -11.645 1.791 9.373 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 -15.768 8.446 11.995 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 7.077 -12.835 3.293 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 -4.557 -0.682 -0.724 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 -5.421 -0.667 2.382 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 17.583 2.111 -24.379 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 2.443 -3.729 -4.326 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 4.825 -3.742 -2.818 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 -9.095 4.890 -15.294 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 -4.922 -5.287 -0.219 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 5.916 5.696 12.696 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 -26.969 2.186 -14.797 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 -1.728 2.073 6.385 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 1.812 -0.966 3.940 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 -5.956 2.501 7.069 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 1.021 7.448 3.306 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 0.496 -11.810 -15.064 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 -8.727 -20.947 -41.003 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 -1.871 4.717 -2.476 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 1.094 -1.577 9.002 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 -3.677 9.654 -6.190 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 -5.504 -6.752 -1.487 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 2.182 5.125 -13.767 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 -15.261 -17.202 -25.085 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 6.687 -2.522 1.578 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 12.174 -26.804 -12.734 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 5.901 3.011 5.745 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 2.873 -0.989 -4.943 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 -7.313 -0.719 -15.261 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 14.810 -3.052 6.499 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 -7.036 0.200 3.112 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 -7.562 1.381 -3.790 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 -6.108 -6.190 12.154 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 7.060 -0.170 4.956 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 5.675 11.402 18.126 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 -2.890 20.189 -2.738 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 0.043 -0.612 1.213 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 -11.433 -16.285 -0.436 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 17.490 -9.609 -3.532 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 -1.234 3.884 -1.833 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 -4.204 9.875 16.351 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 -17.635 15.802 -0.655 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 1.198 -1.193 -3.187 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 3.991 2.035 -3.584 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 5.214 -8.563 -3.387 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 -3.952 -4.144 -1.841 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 3.859 7.662 10.549 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 -19.340 5.053 -8.123 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 1.717 5.208 -5.539 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 -11.865 -8.528 15.018 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 3.280 -23.012 8.428 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 1.854 3.220 0.010 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 10.824 -16.498 -2.537 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 -2.723 9.521 1.719 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 4.882 -1.323 -0.107 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 -2.622 -15.278 -22.851 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 -5.690 -5.602 -13.930 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 0.217 -9.128 -4.973 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 -4.096 -6.823 5.100 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 -8.915 -4.419 15.447 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 3.102 1.633 2.978 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 3.744 1.976 3.242 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 -30.080 -28.308 -1.799 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 0.296 -0.594 5.513 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 24.613 5.749 34.396 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 -13.877 -26.355 -0.333 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 -4.221 4.666 9.218 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 -14.512 -5.334 -8.533 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 -15.353 23.843 12.088 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 1.335 0.005 -2.609 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 1.852 -8.731 -7.824 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 1.134 -2.120 -2.138 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 -6.786 -1.160 1.088 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 1.903 12.850 -4.002 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 -16.686 -2.671 13.687 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 4.020 -1.445 -1.059 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 -3.828 -6.395 20.096 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 -6.326 1.986 -7.433 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 -0.415 -2.953 6.296 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 -2.361 -6.509 -5.986 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 -3.140 -12.984 6.592 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 -3.816 2.875 -0.971 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 -7.474 9.088 -3.340 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 27.688 -13.496 -6.785 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 4.382 2.529 0.683 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 18.400 -3.761 21.710 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 1.658 5.365 -1.377 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 -1.906 0.461 0.289 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 -4.970 -2.056 -0.351 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 14.435 -1.547 -21.191 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 -1.867 -0.794 -0.539 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 -10.234 7.952 -7.885 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 -8.650 4.887 -6.130 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 4.357 2.901 11.699 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 6.752 8.485 -25.636 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 -5.030 5.523 14.127 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 -7.237 -5.926 -2.366 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 -11.997 -7.639 3.750 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 -10.378 2.158 -3.997 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 -3.394 6.166 -1.067 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 -13.434 -11.005 -4.865 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 2.211 23.508 0.524 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 -7.443 3.303 -0.263 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 10.642 13.537 2.051 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 2.331 8.690 0.273 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 6.498 -2.311 -1.900 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 28.534 17.128 17.351 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 0.462 -19.371 -37.001 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 5.922 -4.178 -4.062 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 3.448 9.586 -5.507 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 -2.391 -5.893 4.197 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 4.093 -2.613 1.633 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 3.250 18.101 2.704 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 16.136 -14.271 -1.622 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 8.574 -0.479 2.192 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 -0.662 -12.995 3.871 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 2.274 -4.302 1.585 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 1.157 5.003 2.209 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 3.474 10.362 5.465 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 4.451 15.377 9.064 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 2.274 1.218 3.787 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 10.717 -1.746 -5.829 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 28.864 -20.355 -21.978 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 1.520 -0.608 6.056 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 -13.059 -16.272 -4.119 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 26.949 13.700 2.557 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 3.035 -1.874 -3.483 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 2.130 -0.984 -2.877 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 5.515 -6.225 3.698 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 -1.827 -9.828 2.964 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 -8.626 -21.647 0.552 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 1.654 -3.489 5.380 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 -6.444 1.919 8.634 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 8.016 -32.181 3.754 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 -2.178 14.543 6.972 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 -0.417 0.602 0.456 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 9.499 29.730 5.465 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 15.120 14.160 -1.050 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 6.447 9.376 -0.892 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 21.515 14.133 7.719 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 -1.271 16.237 25.298 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 0.066 -2.430 -1.960 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 11.162 -13.267 -2.310 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 2.342 -8.557 5.785 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 -8.840 -7.307 4.942 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 -8.284 -9.295 13.688 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 -5.929 5.251 29.608 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 -0.548 8.321 -1.259 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 -25.316 2.285 18.048 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 -14.017 5.799 -6.225 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 -3.067 -0.532 2.183 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 -11.083 -0.307 4.487 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 -13.715 -5.490 38.280 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 1.788 0.531 0.246 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 8.704 -13.197 2.130 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 8.749 -13.902 2.111 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 4.392 3.029 -1.160 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 6.249 -20.971 -5.939 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 -4.076 -39.911 -0.103 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 0.571 -5.120 0.834 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 12.765 10.378 15.270 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 -10.970 -19.531 -12.686 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 2.118 -0.161 0.254 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 5.159 7.376 9.336 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 -22.353 11.327 -7.851 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 -0.894 -3.308 7.045 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 9.343 9.892 13.512 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 -1.248 -2.427 6.390 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 -5.159 -0.013 0.975 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 3.500 1.945 -18.485 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 6.633 -15.764 10.188 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 -3.687 -1.549 2.072 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 12.270 -7.144 -11.995 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 -7.119 1.031 5.081 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 -3.215 1.289 -6.288 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 5.571 7.657 -13.484 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 -8.937 -10.085 -9.708 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 2.833 -2.334 2.055 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 -4.141 5.550 -9.992 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 0.998 25.512 -5.873 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 2.079 6.096 3.706 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 -2.172 10.713 1.776 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 -0.469 8.641 2.798 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 0.284 -2.196 -2.838 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 -3.189 15.283 -8.104 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 6.377 -12.101 -18.273 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 0.886 1.199 4.830 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 2.504 0.196 8.486 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 -1.916 -4.185 -4.747 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 8.487 -1.193 -1.194 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 5.914 -1.803 1.201 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 -8.482 9.282 1.229 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 3.174 -0.962 -4.944 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 -4.482 -11.768 1.875 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 -9.675 18.405 3.909 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 0.229 4.586 -5.766 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 1.942 -16.466 1.056 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 3.400 3.108 0.500 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 1.052 1.406 -0.838 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 16.081 -14.846 9.845 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 2.659 4.216 -7.133 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 -0.336 -0.132 7.475 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 -10.803 0.899 13.406 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 -5.327 -3.703 -16.810 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 6.708 8.206 -3.859 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 -3.686 -20.108 3.863 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 -3.218 -7.467 -5.540 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 -2.059 1.292 2.756 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 4.768 -0.899 15.276 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 -6.182 0.169 -13.818 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 -1.585 5.750 -4.407 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 -1.266 3.046 -13.117 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 5.090 2.688 -3.376 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 5.964 -3.643 -4.008 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 4.563 -10.659 18.379 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 -13.044 19.861 -0.021 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 9.655 1.609 1.773 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 18.314 -5.719 7.141 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 9.762 4.506 -14.325 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 2.884 1.387 0.038 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 1.998 3.748 -3.396 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 4.707 5.773 -11.565 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 -4.500 -3.619 0.197 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 -2.436 -1.611 -0.173 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 -36.913 3.886 -22.475 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 3.818 7.045 1.461 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 -5.759 6.194 -3.264 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 6.439 4.897 2.276 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 -3.563 -6.069 4.649 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 32.864 -18.441 -19.653 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 5.810 -9.015 15.262 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 1.935 3.111 -2.075 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 -0.475 -4.660 -1.894 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 4.746 13.922 2.240 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 -0.921 1.220 5.831 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 -36.169 -4.075 -27.828 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 -6.753 -8.380 -12.237 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 4.650 -1.445 -2.457 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 13.046 4.668 0.325 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 -4.901 -22.685 -19.070 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 6.490 -0.178 2.456 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 -4.844 -3.421 4.838 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 9.736 -0.404 1.969 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 0.750 -0.784 -1.551 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 2.384 -0.913 2.873 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 -10.407 9.237 -5.936 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 3.835 -8.236 2.864 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 -6.808 -21.626 1.251 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 -0.611 -16.166 11.372 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 -2.569 4.680 -1.873 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 -9.033 1.593 13.229 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 -10.707 -0.999 -4.929 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 0.403 -1.071 1.279 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 16.279 -5.703 -11.941 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 -25.296 14.466 25.660 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 1.891 1.106 2.743 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 -9.987 -9.773 9.933 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 -0.023 2.137 1.094 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 -2.420 -6.251 -9.221 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 -0.381 -5.188 -10.595 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 -3.893 -6.879 -8.676 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 -5.244 -5.229 -2.944 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 -18.168 -1.759 5.285 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 17.173 0.278 9.536 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 -5.822 -2.960 -0.732 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 1.413 25.673 9.473 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 -26.990 -11.489 2.832 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 -3.173 -3.631 -3.027 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 -20.658 14.793 -39.574 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 14.582 8.917 16.867 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 0.246 0.036 3.975 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 -1.932 -4.893 -3.082 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 -13.135 5.195 -8.447 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 -3.452 -4.821 0.661 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 3.852 -10.199 17.003 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 0.260 7.844 -11.745 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 0.209 7.870 4.755 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 3.485 -2.901 -2.526 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 -26.737 16.756 -0.324 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 1.463 2.082 6.180 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 3.381 -7.696 -16.413 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 -2.770 -2.918 -6.540 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 3.912 0.829 -5.278 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 2.825 -23.771 11.872 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 32.161 12.308 9.844 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 -0.242 -5.524 -0.131 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 10.895 -0.518 0.928 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 -12.535 -10.540 -2.283 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 -3.287 1.044 1.729 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 -3.717 4.082 3.275 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 0.665 0.507 0.408 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 6.441 2.015 0.091 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 -8.852 7.738 15.313 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 -2.746 -1.429 6.131 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 -4.311 1.863 -1.040 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 -24.683 -10.458 -11.011 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 -20.830 10.242 20.809 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 2.911 4.920 -6.356 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 -6.050 -3.274 17.417 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 -20.522 2.791 -7.240 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 1.310 -6.458 1.533 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 -9.263 5.942 -10.496 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 2.342 -10.853 0.630 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 3.962 -1.825 2.727 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 -14.887 -3.378 -3.210 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 -5.186 -11.745 -6.830 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 -2.342 5.900 -6.763 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 -9.467 11.087 -8.399 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 0.795 14.047 -4.812 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 3.533 -5.308 4.642 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 6.582 4.974 16.379 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 9.888 -10.602 -2.519 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 -3.499 0.757 -1.074 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 -5.261 6.010 -16.104 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 14.888 8.418 1.055 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 -3.922 -4.134 5.036 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 18.588 -0.620 6.220 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 -21.474 -7.386 11.120 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 -1.800 5.974 3.107 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 14.220 -26.588 13.018 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 -3.581 4.434 -0.076 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 2.921 -6.044 1.045 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 4.388 -16.196 -17.757 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 -8.774 -10.509 7.504 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 -3.067 5.981 2.694 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 11.867 -7.417 21.475 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 11.479 2.652 7.239 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 -6.259 -3.032 0.857 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 -5.982 6.798 5.147 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 -9.008 -7.048 -1.775 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 -3.344 -8.954 -5.551 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 -10.181 -5.326 -14.369 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 17.113 -12.866 15.015 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 -2.660 -1.627 0.903 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 -2.199 1.183 15.601 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 -5.685 -3.132 -0.686 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 4.375 0.798 2.603 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 10.018 6.071 -1.760 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 0.704 -7.824 6.528 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 -1.621 -3.038 0.176 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 6.970 6.035 -7.603 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 -4.731 11.308 -14.983 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 -2.280 -12.673 -6.743 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 7.869 -14.346 9.420 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 -18.608 4.556 -9.502 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 -0.643 0.652 -6.992 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 0.464 -0.417 -8.131 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 5.722 -6.297 -17.497 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 2.684 1.623 0.504 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 16.624 9.755 -4.970 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 9.289 -6.133 4.589 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 4.609 5.524 -5.626 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 -8.537 10.081 -11.003 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 21.467 -2.148 0.768 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 -0.987 -0.764 0.121 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 -17.416 9.261 -17.322 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 17.002 -2.354 5.357 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 -2.071 -0.480 -4.651 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 3.061 -11.144 -10.785 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 2.098 6.390 12.245 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 1.174 -1.289 -1.760 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 14.336 -16.088 16.101 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 -20.371 -4.904 -3.069 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 -0.171 0.346 -2.639 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 -14.584 -1.798 0.648 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 3.248 2.029 -4.048 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 10.415 -4.429 6.346 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 -5.438 3.054 7.235 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 23.251 -12.734 -16.619 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 7.277 2.219 6.201 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 6.051 3.945 2.015 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 16.286 3.620 10.090 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 -4.267 2.094 0.402 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 -5.471 4.874 2.945 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 -8.784 -1.990 2.189 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 3.608 -4.998 -6.773 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 3.580 10.355 -14.481 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 17.095 -13.488 -13.380 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 -3.178 -6.895 1.802 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 -17.070 1.578 15.594 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 15.257 -8.047 12.859 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 1.436 3.455 -0.268 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 10.986 -7.813 0.143 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 5.185 10.403 14.422 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 -2.881 -5.407 0.278 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 -40.473 0.604 -13.445 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 -10.545 -23.912 12.428 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 -0.036 2.694 0.994 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 3.526 2.812 23.778 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 -4.549 -17.467 -5.217 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 -5.357 5.949 4.131 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 -5.079 -12.126 -1.699 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 35.033 5.082 -14.232 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 2.672 -0.873 8.857 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 -7.533 -31.679 4.830 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 -19.154 0.814 -4.852 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 0.444 -0.491 -2.710 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 -1.462 -12.707 -15.660 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 2.478 1.204 -6.041 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 0.031 -7.108 -3.677 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 -7.412 -1.759 -8.939 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 1.124 -18.023 -9.002 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 -8.446 -3.347 1.128 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 -6.009 2.541 -12.992 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 5.444 -11.771 13.790 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 0.943 3.136 4.441 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 2.617 -8.019 -6.198 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 -1.275 7.884 5.991 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 2.356 -8.623 0.295 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 22.465 -26.097 -27.586 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 2.683 -4.763 20.820 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 1.192 2.439 3.699 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 -11.285 2.643 -3.226 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 -6.188 19.203 4.672 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 -1.545 4.200 -0.227 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 13.683 0.343 1.117 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 -34.412 11.524 -2.305 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 2.312 -9.943 9.193 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 -27.188 -2.397 20.842 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 0.620 -11.700 -10.919 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 8.997 -0.086 10.919 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 13.803 6.169 13.576 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 26.009 0.464 7.739 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 -1.748 7.278 1.161 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 -11.278 2.102 -0.832 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 3.582 6.646 -8.784 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 4.115 2.168 -0.789 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 3.356 -13.803 19.983 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 9.096 -11.562 24.450 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 4.446 -3.183 -4.324 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 14.427 -6.937 -18.913 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 10.961 2.037 5.133 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 3.168 10.668 3.303 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 7.810 3.030 11.801 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 -3.995 -1.310 9.044 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 5.139 3.086 -0.193 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 18.973 13.156 24.444 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 -8.138 -4.696 5.389 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 -0.711 -4.743 3.700 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 -34.064 -3.488 -21.300 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 1.002 3.495 7.131 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 -5.612 -1.174 2.888 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 -11.925 3.297 14.304 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 5.789 -2.664 6.635 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 3.101 -4.170 1.855 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 4.787 12.153 8.276 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 28.573 -5.955 9.285 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 5.192 -0.878 -1.510 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 -9.759 10.951 3.986 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 -22.394 28.891 4.387 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 -1.463 -3.237 8.632 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 6.151 -10.568 2.337 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 8.576 -25.930 -0.580 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 9.262 2.823 0.961 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 1.493 -6.946 -4.939 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 0.652 -10.711 -3.761 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 -1.361 -7.500 0.467 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 2.856 8.572 5.037 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 2.560 1.821 7.504 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 -7.274 -1.112 0.006 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 -3.115 4.025 4.058 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 5.303 14.034 4.144 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 0.764 -4.983 -5.874 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 -6.329 -17.939 -0.347 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 -3.558 -17.779 13.302 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 -4.042 0.516 1.623 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 5.242 -1.874 -8.401 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 -26.714 -8.322 -1.808 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 3.062 -0.525 -2.485 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 6.462 -0.318 -3.110 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 16.134 1.222 -6.154 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 2.171 -3.250 -0.362 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 7.405 -1.610 -21.946 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 16.127 -6.784 10.046 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 -2.552 0.659 -2.226 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 -1.859 0.159 3.089 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 -5.499 -3.215 -2.235 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 -3.326 0.975 6.440 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 -11.892 21.109 29.873 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 19.407 0.395 19.986 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 -2.744 2.347 -3.618 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 5.666 5.196 6.759 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 -14.752 -1.374 -17.511 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 -1.229 -2.688 1.282 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 -0.936 5.948 -2.864 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 6.433 -4.434 -2.465 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 -1.536 -6.300 -1.383 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 -15.134 0.496 -0.843 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 0.198 -5.609 -2.727 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 -1.038 6.164 0.648 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 3.439 3.485 -15.698 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 12.604 11.476 7.284 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 3.382 -3.439 6.528 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 -28.750 3.437 -6.105 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 -15.953 -7.314 27.514 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 2.369 0.799 -0.902 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 7.768 -1.401 -4.472 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 -1.282 17.879 3.556 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 1.262 -4.373 1.251 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 -32.545 5.803 -22.159 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 -32.589 27.271 -11.004 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 -8.479 -5.526 -3.608 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 10.634 -2.108 19.346 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 -16.495 -7.388 -7.842 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 -5.365 -0.913 -5.955 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 -9.141 -1.801 15.334 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 -3.582 -13.734 -0.282 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 0.121 -10.200 -0.833 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 12.244 17.213 10.182 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 4.837 -4.729 7.355 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 2.715 3.949 -3.344 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 0.545 -1.286 0.737 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 3.341 -17.350 5.201 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 4.682 3.998 3.288 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 12.827 7.122 0.191 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 1.674 -2.086 -22.522 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 4.268 -2.552 -6.721 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 1.714 -21.187 9.956 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 17.863 -21.450 -3.317 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 3.540 -1.811 -5.578 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 -10.517 -3.329 -2.485 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 -5.322 -2.698 -3.775 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 5.904 1.550 -7.412 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 9.147 -17.035 -10.801 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 -10.407 -17.170 -4.243 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 2.125 -2.613 3.785 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 10.875 10.993 9.762 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 -13.554 -13.789 -19.536 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 0.123 1.545 4.539 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 3.121 15.136 6.254 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 8.504 12.350 22.680 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 -1.645 2.636 -5.384 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 -2.815 18.502 -32.928 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 -26.696 9.326 19.221 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 -1.336 -6.384 1.979 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 -19.469 -4.290 2.071 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 -1.610 -14.660 2.252 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 3.420 0.861 -3.420 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 -10.070 -8.100 0.796 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 9.454 8.001 9.316 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 2.427 2.468 -0.105 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 -2.538 3.703 7.673 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 2.816 2.141 -1.184 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 5.059 2.349 0.727 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 11.196 0.293 7.366 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 -9.553 9.297 -12.033 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 -1.978 3.767 2.774 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 -8.096 2.748 14.991 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 -8.141 0.598 22.621 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 -2.302 -7.696 -1.746 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 3.075 -35.995 12.957 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 -21.975 7.196 17.897 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 1.509 -2.073 7.841 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 -4.175 24.325 -0.351 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 4.139 -12.906 28.987 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 7.494 -2.883 -5.561 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 22.650 4.633 -12.626 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 6.268 -0.191 -0.408 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 8.311 -1.849 -3.547 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 -0.102 -0.151 7.275 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 -9.983 -17.649 4.431 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 5.367 0.546 1.850 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 2.050 1.283 -3.478 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 8.439 -0.064 4.078 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 3.004 -1.058 -1.712 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 -9.327 0.287 -10.272 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 12.169 -1.941 4.287 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 5.284 -1.196 -5.815 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 2.902 -9.652 -24.799 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 -11.105 -7.494 -6.726 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 0.494 4.237 -1.309 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 -8.311 -7.264 -0.931 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 -10.866 -6.988 3.928 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 4.405 2.092 4.462 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 12.987 5.761 -1.535 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 -1.343 -1.431 2.881 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 0.869 3.236 -5.020 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 -26.136 12.128 -6.398 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 -16.927 7.721 1.804 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 -1.241 -4.121 -1.213 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 7.952 11.810 5.341 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 -11.613 -27.557 5.243 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 2.840 -0.520 5.855 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 20.959 -4.746 19.734 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 -2.626 -19.786 10.011 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 -4.900 1.896 5.198 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 -5.998 -7.650 9.721 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 -16.722 -0.622 4.249 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 3.224 0.124 -4.361 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 7.046 2.886 -4.622 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 15.387 10.153 -5.705 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 6.094 4.151 1.466 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 1.438 3.970 1.651 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 15.631 3.029 0.848 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 -6.101 -1.502 -8.427 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 5.435 8.124 19.174 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 -35.716 3.540 0.679 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 -1.675 -5.463 -5.597 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 -2.605 -9.213 -10.233 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 -2.299 -5.356 6.060 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 -3.280 7.791 -0.098 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 -9.189 -9.263 6.296 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 -1.739 22.809 -12.965 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 -2.021 3.948 -0.135 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 12.964 6.158 10.063 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 10.090 14.936 -19.924 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 -6.699 0.617 1.402 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 -9.771 8.796 -21.439 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 -7.657 6.639 -18.569 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 0.586 2.055 6.035 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 -5.668 -6.441 12.862 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 4.000 6.042 2.042 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 9.921 2.278 5.586 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 -5.392 -14.981 10.020 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 19.169 11.050 29.256 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 6.491 -7.813 -1.374 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 -22.933 0.710 -12.342 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 15.718 -15.630 3.663 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 1.715 -0.832 9.740 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 3.882 -2.618 5.549 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 1.180 -4.095 13.646 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 1.535 -1.697 -2.449 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 10.628 -12.647 -10.164 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 21.382 -1.953 -12.558 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 -0.652 1.117 -2.368 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 -1.396 2.145 -2.505 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 4.684 7.577 -8.503 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 -4.266 -7.739 -3.165 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 9.466 -4.414 1.259 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 -15.994 -3.688 3.972 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 0.107 -2.289 -1.958 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 20.611 -4.027 1.737 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 -6.605 10.793 0.849 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 2.498 0.662 0.400 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 -1.519 0.254 4.740 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 -20.808 -33.852 10.905 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 -0.426 2.511 -3.694 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 -4.267 -8.857 32.503 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 -3.511 0.558 -26.808 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 5.392 -2.800 -4.083 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 0.953 -10.330 3.891 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 3.657 3.886 -3.258 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 -2.645 -2.754 7.717 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 -18.320 13.292 -6.237 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 22.617 1.811 -1.492 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 -1.428 3.006 2.037 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 5.880 21.694 -3.338 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 -2.877 -16.618 -4.931 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 2.405 1.699 -1.073 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 -14.166 17.432 0.089 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 22.676 17.756 -5.673 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 -2.882 -0.268 -2.545 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 4.041 -21.409 -12.414 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 5.172 -22.706 -20.008 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 4.450 -7.038 1.132 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 7.550 -7.471 3.332 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 -8.903 6.077 -11.214 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 -0.432 -2.923 3.357 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 -4.050 0.326 15.639 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 9.215 -26.461 5.423 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 -0.050 -5.764 -3.434 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 5.315 0.808 -14.773 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 30.316 10.135 16.151 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 -3.172 0.607 5.959 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 5.193 -10.062 0.051 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 3.528 -7.421 2.893 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 -6.915 -6.513 0.405 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 -14.036 -12.568 -3.115 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 -2.276 -3.870 6.290 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 4.355 0.713 -2.401 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 -7.044 -17.923 -8.049 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 -9.761 -4.336 -11.287 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 1.298 2.898 -3.197 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 -21.602 -10.825 -3.098 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 22.885 18.018 -15.234 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 1.349 8.326 -1.760 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 -23.189 -5.053 4.982 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 3.483 5.447 7.230 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 2.090 5.650 -4.297 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 4.644 4.500 -1.263 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 0.395 -5.875 -8.446 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 -5.344 1.592 -0.674 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 -5.876 -23.485 5.666 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 -1.072 17.860 13.477 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 0.343 -8.335 3.723 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 -13.879 -19.947 -11.797 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 4.537 -7.268 0.990 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 -0.772 -6.447 1.761 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 -5.811 -6.365 -11.706 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 1.044 0.639 1.129 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 2.246 0.797 -0.233 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 -9.901 7.171 -6.518 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 0.123 6.145 -10.628 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 0.234 -10.063 1.254 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 19.339 -6.609 -7.917 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 0.905 -13.452 -14.492 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 -4.607 -4.281 -2.745 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 -6.652 11.713 -5.145 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 -8.584 -4.906 10.149 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 0.323 -0.721 -6.180 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 -5.838 -33.371 -6.285 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 8.692 -0.227 1.502 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 -0.441 -3.586 1.011 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 22.076 -5.436 11.217 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 7.208 -6.355 11.184 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 -7.833 -0.977 0.787 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 -26.296 -6.539 -0.806 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 23.137 -19.493 9.007 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 1.004 3.647 1.874 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 -17.886 10.658 1.178 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 -1.931 -9.564 -21.255 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 6.834 -1.813 7.383 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 10.902 -10.398 -6.249 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 12.649 1.101 4.270 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 -0.973 -0.875 -1.872 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 5.664 -14.762 -7.687 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 12.589 21.809 -18.899 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 -0.770 -3.464 -4.900 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 0.035 -34.909 -0.284 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 -2.962 12.633 -7.375 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 0.408 1.694 -3.748 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 3.566 -9.087 -5.362 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 -0.920 7.582 -2.765 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 4.847 3.871 0.542 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 9.774 2.282 -10.400 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 -7.233 2.001 28.750 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 -1.477 -0.399 2.855 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 1.598 -29.909 -34.377 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 -3.190 5.850 -28.719 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 -0.266 8.483 -5.580 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 1.397 8.730 10.321 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 -7.716 2.391 -11.400 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 -1.323 9.678 3.237 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 4.350 40.655 -20.546 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 -10.225 5.249 -25.685 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 -3.304 1.071 2.589 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 -13.412 -7.052 12.394 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 -0.691 15.044 -6.899 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 -2.384 -1.015 3.957 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 -16.350 16.248 -6.133 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 -21.171 22.079 -9.112 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 4.559 -3.371 -5.728 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 5.879 -6.980 -12.188 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 -4.762 -0.312 -5.877 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 4.065 -0.441 -4.129 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 7.501 -13.458 -3.759 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 6.238 -8.980 -4.401 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 2.502 0.503 0.654 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 -3.617 0.695 -2.616 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 11.480 6.817 6.996 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 -0.542 -2.063 4.842 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 -9.788 -4.934 5.173 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 -0.287 3.882 -2.661 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 0.143 -2.525 8.488 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 -15.170 5.363 19.470 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 10.188 9.319 4.149 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 -10.640 3.201 -2.494 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 2.561 9.291 7.635 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 -13.454 -3.064 -5.541 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 0.987 -0.666 -4.120 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 -1.882 -0.382 -14.090 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 -0.706 1.028 20.289 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 -3.082 -3.268 4.969 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 -5.574 -11.101 15.577 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 5.081 -0.962 11.608 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 -1.936 0.527 5.530 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 -6.357 2.186 15.201 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 -11.195 9.695 15.557 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 -1.349 3.162 -3.996 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 -4.198 35.975 -5.210 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 0.443 -18.864 -2.864 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 4.358 4.478 7.105 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 28.251 7.017 13.337 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 2.315 -3.105 2.618 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 -1.828 3.563 -4.553 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 0.829 -27.515 19.187 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 0.150 16.051 -15.489 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 -5.035 -2.277 -8.008 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 9.658 -8.201 16.158 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 -6.817 -9.666 8.144 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 -1.573 -0.333 4.856 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 -13.875 -9.253 2.743 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 -2.412 -7.184 -12.420 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 4.973 -0.727 -1.868 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 2.397 28.190 15.943 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 -27.545 -14.789 12.384 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 -2.529 -2.973 -5.294 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 2.828 -4.226 -6.082 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 -4.761 -5.009 -1.595 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 2.844 -2.165 -4.230 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 23.106 -5.536 -11.843 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 30.199 4.787 8.503 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 -4.150 9.768 3.054 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 4.070 10.710 9.799 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 -4.309 -4.251 -1.860 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 1.457 -3.429 -4.499 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 19.045 -25.912 -12.781 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 -11.511 13.182 3.413 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 -5.477 5.683 -4.858 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 -10.222 -1.692 -31.070 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 -21.877 21.244 -5.430 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 3.130 -3.429 3.929 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 -0.296 1.146 -13.886 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 3.652 -3.843 5.025 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 1.326 2.390 -2.119 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 -20.900 -4.582 -17.771 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 16.858 -18.087 -10.798 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 -3.345 2.440 -1.401 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 -3.310 5.006 -2.278 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 -7.309 -11.051 5.928 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 0.632 -4.178 1.021 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 19.296 -13.735 2.631 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 2.246 -15.313 -7.584 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 2.158 3.594 1.793 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 1.771 10.928 7.301 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 4.180 -6.802 -4.670 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 -4.428 -0.942 3.346 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 -35.436 -38.126 5.243 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 12.983 -2.224 2.255 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 7.457 1.070 2.329 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 3.284 -0.914 5.465 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 22.214 -1.854 10.646 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 -0.471 1.092 1.505 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 -12.722 -2.377 -1.335 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 5.951 -9.931 11.434 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 5.348 4.146 2.920 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 3.439 1.555 5.016 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 8.249 1.945 5.244 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 1.201 -2.995 4.188 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 30.965 -11.744 20.420 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 5.662 19.373 27.017 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 -2.703 1.924 1.230 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 -2.146 11.831 -7.498 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 -6.311 -4.707 -0.830 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 0.254 0.277 3.274 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 8.589 -3.031 8.509 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 1.858 -6.651 -4.835 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 3.860 -0.300 -3.993 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 10.008 14.638 5.138 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 11.384 18.886 8.913 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 -2.124 0.894 -5.792 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 12.258 -18.453 -26.301 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 7.755 4.205 2.041 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 7.236 -0.486 -7.500 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 3.117 4.645 -3.961 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 -1.427 -3.429 -4.427 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 -2.564 -0.425 -4.993 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 -11.894 11.729 -11.015 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 12.820 -1.847 4.323 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 -10.330 1.856 -1.539 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 -9.211 14.515 -21.994 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 12.900 6.486 6.601 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 -3.925 -2.604 1.090 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 24.966 13.877 2.972 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 -16.622 -12.323 12.963 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 1.170 -6.977 -2.446 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 4.533 5.439 4.007 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 8.385 -8.420 1.522 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 -2.663 -6.554 -3.504 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 -3.674 -4.492 -4.434 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 4.979 -40.538 -1.856 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 -5.370 -0.461 2.414 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 -6.590 -3.905 7.786 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 -7.260 14.529 6.682 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 -1.509 4.080 3.789 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 3.284 2.470 4.745 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 -21.045 -26.719 0.206 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 1.575 0.708 0.616 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 -16.112 7.070 9.972 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 7.203 0.472 -3.118 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 7.012 -4.412 -1.351 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 3.857 3.670 -22.422 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 15.008 -16.118 8.856 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 4.163 3.464 3.308 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 -10.469 -25.522 18.691 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 9.031 -5.333 -14.837 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 2.510 -1.759 0.215 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 17.471 4.935 14.744 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 1.672 -2.916 -3.816 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 -6.668 3.245 4.561 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 -9.668 -5.920 7.021 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 1.448 11.834 -4.415 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 -5.534 1.266 -9.244 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 -2.980 -8.638 -0.038 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 -5.437 13.721 -11.481 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 -4.604 -4.507 6.698 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 -11.828 -6.103 16.920 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 -1.885 -10.621 6.389 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 2.345 0.818 -1.718 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 16.763 11.229 1.225 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 -10.789 5.431 -8.499 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 -0.674 -0.516 3.313 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 20.382 -15.425 10.003 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 10.026 18.564 1.005 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 9.255 4.309 -2.263 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 7.662 13.142 17.802 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 21.088 -5.499 -2.404 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 -1.621 -4.849 -5.739 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 2.159 3.337 2.144 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 -3.347 -13.437 -18.507 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 1.050 -0.456 3.630 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 -5.700 -13.955 15.250 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 -1.064 -13.006 14.230 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 -6.312 -4.523 4.158 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 34.613 16.394 8.042 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 -15.385 -14.708 -16.023 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 0.217 -5.385 -1.062 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 -4.512 9.513 0.334 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 4.977 -16.347 -1.641 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 -4.430 2.788 -3.764 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 6.365 -17.863 -14.700 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 3.565 26.903 -16.177 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 -1.562 0.317 -5.151 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 -1.738 -2.036 -2.888 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 -2.159 -5.407 -7.831 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 -5.089 -2.223 -0.944 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 -13.905 -14.278 -11.580 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 10.120 10.463 -2.067 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 -0.815 -2.970 -2.739 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 -23.642 3.512 -23.245 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 13.697 -6.811 9.008 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 -7.081 -3.934 -1.200 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 -1.449 -17.692 -1.917 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 3.851 3.996 -5.933 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 2.737 -4.319 1.561 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 5.577 -13.847 -0.316 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 -1.839 11.225 19.869 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 -1.657 -4.190 0.114 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 -14.441 3.061 -7.065 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 -15.995 1.477 11.600 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 11.447 0.037 -5.108 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 -10.226 -9.799 10.886 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 39.671 10.233 -6.227 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 -2.291 1.845 -1.126 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 18.532 -13.108 -13.353 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 -19.474 13.289 0.712 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 8.124 -1.608 -4.717 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 -8.711 -16.493 -10.365 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 18.838 10.683 -20.392 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 -2.693 5.201 -0.873 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 -18.692 12.141 -0.439 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 6.226 3.584 -2.096 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 -0.939 5.233 5.597 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 3.524 -10.341 -1.728 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 7.950 14.692 5.576 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 -2.119 0.198 1.570 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 -11.240 -0.830 -31.050 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 5.147 -21.620 -0.298 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 0.837 5.456 12.040 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 -8.093 25.577 21.751 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 -1.960 37.080 -17.694 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 -3.798 -0.024 3.881 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 -8.919 -7.142 -12.787 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 -18.152 2.065 -8.204 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 -2.455 -0.098 -1.101 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 6.449 -2.294 -4.973 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 7.318 9.516 17.976 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 2.576 0.865 -9.499 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 -13.294 -13.305 -5.588 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 -4.591 -22.211 5.578 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 2.049 3.359 2.973 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 15.916 9.929 23.522 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 -0.211 8.993 -4.802 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 3.256 1.934 -1.274 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 -7.207 -4.976 6.333 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 -12.862 -4.197 16.984 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 -1.858 3.795 -3.547 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 2.043 13.837 -0.318 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 17.954 -8.652 -1.559 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 -5.516 0.121 4.818 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 0.537 -4.769 -6.190 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 -24.640 15.381 -1.441 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 0.209 1.151 -0.371 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 -15.344 -7.989 14.603 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 7.525 4.527 -11.226 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 -6.714 2.679 -0.335 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 -12.397 -2.504 0.562 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 16.700 3.955 -12.621 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 -4.246 2.581 1.745 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 -24.299 -23.492 -4.868 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 -31.280 -28.650 -24.338 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 2.365 8.499 -3.226 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 3.788 5.293 -7.253 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 4.852 10.826 -2.553 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 4.494 7.873 2.605 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 11.000 0.806 7.277 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 -9.496 21.410 26.759 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 -1.409 -0.135 -1.711 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 -0.723 3.415 -2.751 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 2.140 -12.601 -2.437 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 3.820 2.144 1.020 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 -4.180 -18.083 17.919 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 7.801 7.148 18.354 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 -4.054 -1.647 0.155 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 -25.734 7.473 -19.184 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 -3.780 20.002 -11.279 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 4.041 5.346 -7.090 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 3.906 21.954 -15.343 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 18.655 5.988 1.833 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 -7.742 4.161 1.288 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 -8.931 12.332 7.049 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 -6.813 -1.661 -0.842 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 6.925 -7.303 -0.266 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 3.812 -13.068 -0.486 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 8.643 0.066 -0.070 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 2.004 0.327 -1.900 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 -4.336 -4.086 2.885 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 -9.977 -12.301 -7.873 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 2.378 4.329 1.406 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 -14.489 -2.638 11.951 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 0.773 8.858 -3.933 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 -0.495 0.508 0.017 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 12.440 -10.116 27.905 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 -26.213 -20.503 -7.547 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 -1.049 1.835 0.286 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 -1.665 -5.543 11.084 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 5.144 -19.780 -11.278 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 5.463 0.660 -0.665 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 2.833 9.868 -10.368 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 6.597 19.632 11.322 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 -4.288 1.679 4.689 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 -1.681 2.695 10.372 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 0.663 -17.682 32.909 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 5.376 -6.504 -4.191 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 6.854 1.039 -15.445 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 -3.611 -4.400 17.924 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 -10.793 -6.931 -2.629 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 3.908 8.478 -16.752 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 -11.445 6.036 10.411 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 1.809 10.751 4.407 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 -10.366 1.195 6.007 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 -13.917 4.008 1.691 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 -1.930 -1.062 -4.732 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 14.783 -3.435 -2.298 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 -7.558 5.215 -29.156 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 2.140 -1.193 2.560 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 14.187 1.066 22.952 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 -3.912 -11.382 -10.224 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 -1.860 -1.117 1.721 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 7.845 -4.384 5.923 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 -13.747 -15.760 -12.853 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 5.679 3.838 9.334 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 7.317 -17.564 3.565 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 4.322 -11.793 -7.273 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 0.729 -1.619 -4.136 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 22.615 -3.209 -6.378 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 12.350 -16.972 -19.876 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 3.377 7.213 3.759 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 -10.471 5.086 2.600 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 12.248 9.572 0.559 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 0.884 -2.254 -1.398 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 -6.059 29.743 -14.988 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 1.162 -4.565 -1.315 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 -4.552 0.243 4.880 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 -4.804 -0.082 -3.481 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 -11.672 15.727 -13.041 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 1.479 7.051 -8.253 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 -2.313 7.189 -5.317 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 1.407 6.571 -7.923 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 -3.156 1.033 2.744 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 6.155 1.257 7.337 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 -20.358 -21.060 -17.522 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 0.386 -3.664 2.869 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 22.296 -14.646 2.193 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 3.811 13.050 10.184 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 -6.704 7.017 6.446 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 25.993 5.502 -20.900 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 -10.569 30.483 0.073 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 3.447 7.559 0.980 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 1.244 11.011 -0.064 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 0.166 7.022 1.059 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 -2.393 -0.508 0.224 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 9.307 5.476 -1.429 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 -0.276 -13.301 4.659 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 -5.521 1.403 -0.293 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 -2.976 7.808 5.818 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 -7.605 2.533 3.410 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 -5.286 0.027 0.997 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 -12.602 -20.438 -16.733 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 1.727 12.752 -2.736 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 1.685 2.282 1.014 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 10.466 1.537 -9.528 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 -8.054 11.720 -3.561 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 0.765 9.746 2.652 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 2.007 -20.404 -6.152 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 16.121 2.110 2.908 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 -0.340 -2.797 0.256 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 5.042 -4.508 1.819 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 3.873 7.077 6.559 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 1.984 -0.630 4.292 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 -9.415 -8.618 -0.155 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 13.256 2.799 -6.432 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 -6.007 -11.256 1.836 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 -6.299 -7.099 4.970 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 -5.173 -9.491 -4.601 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 1.006 -2.936 0.361 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 -5.994 -9.680 2.633 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 16.277 15.967 -1.721 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 2.091 -3.278 6.455 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 -15.519 3.185 36.210 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 -5.396 11.366 11.675 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 0.441 -0.885 3.854 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 -3.911 2.007 5.081 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 6.185 9.765 0.122 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 1.152 -3.811 -0.226 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 -6.207 -14.933 10.098 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 12.829 1.947 13.674 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 3.702 -1.679 6.860 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 -1.495 -3.644 5.387 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 4.648 -5.074 4.864 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 8.258 -2.801 -7.831 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 5.234 -5.296 -6.572 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 7.282 3.545 -16.438 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 2.398 1.882 -7.633 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 -12.863 21.566 5.292 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 3.791 13.336 11.526 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 -3.699 2.501 -4.677 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 -2.056 11.287 -5.954 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 -12.108 4.022 26.845 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 -2.918 0.686 3.353 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 21.267 -23.271 2.230 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 25.619 -20.857 -2.219 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 5.383 -3.316 7.007 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 -15.635 9.848 1.379 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 -15.324 13.487 -5.627 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 3.235 -1.828 1.986 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 8.252 -0.345 -29.900 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 -29.106 4.811 16.345 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 5.449 3.902 -8.863 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 4.680 4.414 -5.568 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 -0.722 10.374 12.535 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 8.408 1.553 5.483 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 3.641 -17.311 11.680 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 -7.336 20.423 7.661 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 -1.687 1.672 -3.545 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 20.595 4.706 9.107 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 -20.129 -16.690 -5.481 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 -0.133 -2.687 -6.618 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 -2.404 0.234 -3.974 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 0.373 -2.186 -9.046 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 5.437 -1.973 -4.904 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 15.639 0.355 12.829 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 2.923 -4.060 -3.553 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 1.828 -3.151 2.143 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 7.888 -2.720 5.826 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 -1.393 2.269 3.706 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 -3.198 -2.408 -1.993 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 1.270 2.539 2.240 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 2.583 -1.817 3.063 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 -2.480 -2.049 -3.164 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 10.032 10.033 2.038 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 -7.830 0.859 -5.643 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 9.392 0.152 5.168 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 3.016 -14.917 -0.041 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 14.217 -8.244 -7.580 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 -7.333 3.625 2.240 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 -1.734 4.096 -0.739 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 -24.401 9.665 5.006 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 -3.638 0.296 -4.541 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 12.812 40.746 -16.878 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 -9.528 -14.520 -0.094 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 1.614 2.137 -0.792 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 -8.264 -6.557 -11.356 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 -5.350 -4.366 3.461 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 1.729 2.982 2.401 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 -5.794 -10.512 -6.104 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 21.813 8.524 -12.915 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 -1.483 -0.862 2.574 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 -10.438 2.720 2.487 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 -3.686 0.476 3.369 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 7.289 2.068 4.191 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 -1.684 -3.443 -0.035 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 2.334 -0.786 2.207 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 2.820 -6.729 0.906 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 25.751 17.569 16.047 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 -2.526 -7.791 5.458 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 -4.316 2.690 0.204 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 1.591 3.001 -3.691 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 -0.977 -0.184 20.018 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 -4.213 2.104 5.414 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 13.926 -14.870 -10.373 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 -15.692 -5.580 14.122 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 1.437 -1.730 1.725 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 15.625 29.025 2.132 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 3.816 -3.945 13.468 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 -0.249 -4.380 -2.322 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 -15.924 -2.394 -6.917 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 8.996 6.466 -11.222 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 -1.950 -4.979 1.609 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 -18.330 -2.401 -9.788 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 -4.223 0.396 20.774 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 1.057 2.438 10.141 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 -2.065 18.797 17.901 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 -22.690 0.352 -18.083 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 0.056 -2.854 3.074 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 4.922 -8.491 11.439 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 -9.493 1.015 0.956 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 0.547 -3.477 -3.985 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 -8.541 -12.192 11.071 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 -13.134 -4.405 -18.779 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 0.944 -6.179 -0.985 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 -10.797 -3.247 -6.885 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 3.424 -10.140 7.692 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 -0.667 -1.013 -4.055 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 3.447 15.991 -16.279 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 -3.494 -2.404 -7.315 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 -6.746 -3.739 5.214 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 -1.377 -6.423 -5.135 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 -22.226 0.408 1.904 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 -1.407 3.910 -3.663 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 3.492 4.673 -0.176 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 9.028 11.433 2.005 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 -1.881 -4.873 -3.517 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 12.280 -17.191 -2.762 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 -10.810 2.574 -13.508 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 0.081 5.774 2.872 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 3.792 -8.446 31.469 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 -21.912 5.606 4.483 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 1.515 -2.481 4.000 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 19.783 0.626 14.837 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 -5.780 -2.410 15.211 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 1.054 1.211 4.048 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 8.070 -9.115 -3.230 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 -6.374 5.737 17.900 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 1.681 7.787 5.153 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 -8.462 0.610 -20.131 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 18.099 -15.624 10.175 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 2.432 -3.302 1.417 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 4.006 -2.456 -1.105 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 7.710 10.124 3.820 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 -1.040 -6.635 4.903 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 -4.255 1.384 12.938 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 9.695 -8.158 15.966 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 0.118 -6.167 -2.633 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 -0.669 -9.986 0.282 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 11.293 -18.313 4.253 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 0.540 0.012 -1.416 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 16.016 -26.602 -0.975 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 14.463 -15.217 -8.847 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 1.521 -1.775 1.999 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 0.827 1.788 13.605 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 -3.916 7.154 -4.875 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 -7.731 3.340 0.071 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 -0.448 -7.892 22.061 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 22.388 3.416 -10.120 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 0.273 1.110 -2.396 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 -10.983 -30.589 10.507 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 -0.021 -18.500 5.496 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 -4.414 2.893 2.621 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 12.702 -10.836 8.589 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 1.878 3.171 -17.826 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 4.254 1.446 -7.814 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 6.766 18.234 -3.745 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 -16.723 -23.136 -10.666 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 2.839 -5.282 4.863 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 9.544 8.703 28.280 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 -5.806 -15.298 -4.204 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 -2.661 2.608 4.605 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 -8.582 -19.223 -5.815 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 -4.586 14.003 -15.094 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 1.919 0.985 -4.434 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 15.434 3.267 -9.633 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 -15.477 19.270 3.854 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 -9.116 2.042 1.858 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 -20.188 1.612 -5.097 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 -2.027 -7.350 12.626 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 -1.725 5.468 1.867 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 11.780 -12.483 2.918 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 -8.909 20.285 4.906 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 -1.781 -1.221 3.571 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 -13.891 1.024 8.859 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 -10.331 -4.628 10.347 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 0.190 -9.540 -3.371 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 -3.899 -2.436 -3.150 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 19.712 -8.113 0.779 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 3.117 -8.121 -4.493 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 -3.723 6.543 -4.650 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 -4.764 -12.870 6.806 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 -2.680 3.230 -1.150 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 -3.367 6.605 -0.388 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 -3.001 0.144 -5.698 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 -0.543 0.520 -3.199 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 11.012 17.097 -11.423 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 -14.867 -22.798 -6.339 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 -12.670 1.340 -0.475 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 -6.362 12.358 11.895 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 -1.901 -10.938 -1.817 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 -0.109 3.436 -3.868 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 4.032 7.073 -3.717 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 2.463 -10.842 12.387 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 7.423 -1.138 3.316 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 -9.103 -3.661 4.500 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 -19.616 -7.088 2.134 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 3.461 2.600 -0.821 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 -37.559 -34.786 15.008 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 7.200 -1.012 12.256 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 -1.508 5.275 -8.566 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 14.112 -20.140 -14.764 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 17.646 25.360 -1.461 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 -1.248 -1.577 -2.392 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 -1.495 2.788 -2.004 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 14.062 -4.804 -21.792 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 -0.363 -1.813 -4.030 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 15.213 -17.865 -3.620 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 -8.853 -12.146 5.261 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 0.052 -4.134 7.013 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 -4.551 29.245 -22.822 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 -3.309 -16.990 1.314 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 -2.061 -3.739 1.306 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 -2.014 -28.286 12.485 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 -3.043 -0.370 29.866 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 1.081 4.254 1.494 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 -1.219 -21.218 -14.160 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 5.650 -0.653 2.445 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 2.377 1.310 3.109 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 9.997 -0.244 1.317 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 8.959 1.285 2.225 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 0.260 -5.353 -1.976 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 -21.663 -11.772 -0.385 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 11.572 -4.216 -3.090 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 -6.163 -2.316 -5.637 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 -23.080 3.216 13.281 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 0.070 -3.217 -28.959 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 -5.104 6.190 2.909 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 24.897 -2.056 12.097 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 -0.042 -4.204 -9.967 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 -1.379 -3.878 -5.033 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 2.537 -16.023 -10.411 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 -2.085 -3.604 -17.226 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 -1.396 4.820 -5.334 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 11.449 -10.824 -9.516 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 13.063 -14.733 4.213 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 2.256 7.049 -3.195 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 -5.303 11.107 -10.434 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 0.975 13.198 4.872 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 -7.901 2.071 0.133 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 -1.727 -10.940 7.774 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 -1.501 -0.817 -19.876 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 -0.352 -2.997 -0.865 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 7.556 -1.196 -9.783 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 -13.693 -6.847 -2.479 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 3.588 -2.921 0.166 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 11.588 1.957 -0.427 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 -0.132 5.943 -3.110 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 -2.700 -8.493 2.252 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 -22.344 -11.884 7.040 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 8.224 8.794 -20.666 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 -3.187 3.678 0.700 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 -6.879 -6.725 -23.927 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 -15.845 -1.644 15.611 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 -0.147 -4.737 -8.935 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 18.806 3.970 0.715 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 -8.533 20.248 0.059 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 -1.660 -1.876 -8.804 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 2.143 -24.453 -7.033 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 4.807 -16.780 -4.080 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 -7.654 1.560 4.004 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 -2.677 2.218 21.885 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 -19.539 -31.998 23.384 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 0.226 -5.513 2.619 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 6.816 5.264 -13.443 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 14.266 10.933 -30.719 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 -1.017 -0.732 3.132 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 -1.744 6.489 10.049 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 14.906 9.610 6.681 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 -2.012 -3.861 0.185 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 -7.405 3.390 -5.800 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 8.530 -0.755 -1.177 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 -3.556 -4.601 1.759 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 16.108 -17.465 8.224 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 -14.277 -4.910 -0.426 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 -5.820 -5.652 7.387 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 -38.506 -21.325 4.218 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 1.159 8.487 -8.886 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 -5.710 -3.879 3.167 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 -10.980 13.707 -23.849 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 -11.068 -17.049 13.516 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 2.689 -5.077 4.318 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 3.495 -3.578 -5.981 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 -19.808 -1.985 -3.120 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 1.194 1.574 -3.436 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 -12.647 -24.832 -14.209 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 14.507 -9.346 -9.651 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 0.023 1.070 5.031 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 4.348 8.402 2.951 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 -1.564 7.605 3.524 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 -3.713 -2.978 -0.929 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 3.540 -11.189 -20.040 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 -18.604 -10.798 2.883 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 1.889 4.867 3.472 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 -8.996 -0.438 -6.959 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 -5.960 21.962 23.563 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 2.411 7.157 -1.145 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 1.364 1.694 15.121 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 -9.167 5.764 5.880 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 0.638 -3.372 -6.273 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 -2.214 -8.445 0.235 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 3.851 0.581 -21.653 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 3.650 -1.144 6.721 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 2.817 -16.740 14.390 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 4.602 12.696 -0.569 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 -0.983 1.266 3.827 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 4.625 0.156 -18.754 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 0.339 4.079 10.912 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 -4.092 14.872 3.959 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 -18.058 10.819 7.868 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 0.721 6.678 14.447 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 0.971 -3.090 -2.312 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 13.003 -11.363 11.670 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 9.107 3.683 -10.967 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 -1.312 1.680 -6.623 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 7.935 12.084 -9.123 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 -7.603 -5.601 -4.659 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 4.249 3.577 -2.148 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 7.256 -9.155 5.806 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 0.872 9.748 -6.064 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 0.938 1.716 4.184 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 -3.447 -0.456 11.428 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 10.756 4.099 15.124 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 -0.761 -4.023 4.629 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 -1.102 -4.361 -0.597 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 5.695 -11.324 26.206 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 -0.557 14.185 2.949 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 -12.771 9.743 3.041 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 1.831 7.213 14.490 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 -0.017 -5.171 -5.726 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 1.369 28.663 9.486 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 -7.928 -9.818 -9.587 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 6.914 2.061 1.915 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 -2.060 -12.645 6.283 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 20.848 -17.661 21.837 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 2.479 5.759 7.128 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 -14.295 7.713 43.630 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 -6.592 11.445 5.342 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 3.832 0.792 9.663 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 20.190 6.958 11.324 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 -18.813 1.653 -6.270 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 -4.678 2.163 -0.563 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 -20.989 11.732 -0.947 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 -1.919 3.423 4.297 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 -3.044 -8.284 -4.687 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 -4.656 -16.109 0.865 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 13.933 -9.637 10.282 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 6.060 3.040 3.385 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 12.439 3.274 3.447 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 5.821 2.667 4.466 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 0.302 6.024 2.078 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 7.773 5.916 -5.862 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 -4.209 -4.857 -8.867 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 -8.749 -3.916 -5.873 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 -8.516 21.157 1.703 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 -0.729 -5.832 -5.834 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 10.895 2.615 -2.696 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 11.665 -7.107 -2.727 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 8.570 9.735 -4.008 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 4.367 -1.174 -9.568 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 13.111 -4.583 1.031 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 3.707 6.470 -13.111 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 -4.301 0.107 -0.438 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 10.041 -5.216 -4.427 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 -17.021 5.963 -6.284 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 -3.429 2.803 -0.667 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 9.969 0.119 1.036 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 -2.982 -8.632 11.272 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 0.136 6.691 6.188 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 26.209 22.273 -31.481 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 -23.518 -17.992 -14.679 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 -3.039 -4.750 5.032 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 9.577 16.171 1.379 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 -25.696 -2.125 -6.881 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 -2.328 -0.176 -1.630 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 1.997 -13.705 1.932 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 5.305 18.731 -5.599 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 -0.703 1.878 -2.257 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 9.171 15.301 -4.980 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 -19.099 -10.646 12.623 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 4.421 -2.801 -3.679 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 -0.695 12.555 -16.754 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 19.899 16.305 -27.619 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 -4.322 1.077 8.383 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 -10.455 11.653 8.190 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 -11.724 -7.761 5.366 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 -5.279 1.219 0.441 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 -19.857 14.106 2.456 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 -0.762 -3.022 1.864 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 -1.242 7.775 0.968 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 -5.253 0.963 -6.954 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 23.855 -0.180 36.929 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 -5.198 -0.803 10.731 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 -31.741 13.187 -26.384 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 -15.790 -2.874 11.880 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 -1.439 -8.079 -1.898 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 -9.314 12.971 -9.251 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 -8.298 -17.313 5.014 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 -2.005 -0.074 6.453 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 9.958 -11.879 12.862 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 19.755 2.500 4.973 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 1.449 -1.015 0.181 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 5.748 27.382 3.882 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 14.640 11.173 2.616 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 0.526 -7.013 -1.662 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 6.386 0.709 -14.853 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 -8.325 -17.117 13.168 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 -0.100 8.287 0.119 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 6.144 -8.462 5.366 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 -1.791 -9.884 -1.944 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 -4.418 -4.196 10.015 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 16.951 3.025 30.125 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 -19.969 11.630 1.074 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 9.905 3.269 7.395 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 -8.035 25.793 -13.543 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 -21.956 3.798 -4.476 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 3.174 -4.281 -8.885 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 17.732 -7.671 -5.677 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 39.900 -8.703 -5.235 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 -1.792 -5.482 -3.879 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 -2.379 0.097 2.859 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 -8.519 -0.350 0.203 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 -1.216 -3.447 -1.500 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 -9.443 11.051 40.409 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 22.681 -12.166 1.333 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 1.688 3.859 2.608 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 9.536 6.639 -10.620 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 -0.526 2.967 6.297 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 -8.679 -0.247 -3.182 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 21.651 -1.080 0.337 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 -12.225 1.746 21.035 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 -0.049 -1.210 4.157 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 -0.749 -14.060 -1.913 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 -3.061 2.853 0.778 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 -4.099 -2.088 -10.901 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 -38.249 -11.853 -33.876 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 2.752 13.057 1.312 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 3.886 -3.359 -2.863 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 7.881 -8.555 1.976 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 -7.594 5.038 -11.903 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 2.949 4.387 3.613 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 24.230 1.188 -5.462 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 2.925 0.221 -1.043 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 2.062 2.213 0.443 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 5.703 32.068 8.710 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 -12.331 -5.926 16.894 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 -6.641 0.512 -1.814 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 -25.201 12.737 -9.833 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 -10.621 1.270 -10.116 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 4.214 -1.257 3.360 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 7.318 -0.861 11.764 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 3.236 30.785 -38.791 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 4.667 -2.087 0.768 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 13.042 -14.792 -1.509 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 14.517 8.867 -11.936 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 0.403 -8.257 -1.620 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 36.547 -21.622 11.844 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 22.624 -25.547 7.453 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 -12.215 -4.473 -0.211 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 13.252 -17.928 -0.628 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 2.321 -11.133 -1.783 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 1.406 -1.151 -5.112 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 -1.560 4.711 11.764 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 5.531 -11.512 -25.998 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 -3.014 2.063 -9.800 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 -6.683 11.004 5.703 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 12.873 -2.994 1.034 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 -1.108 -5.758 3.427 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 6.246 2.751 2.580 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 25.333 -20.272 -19.547 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 4.014 4.117 -3.102 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 -1.669 -3.379 -5.718 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 6.882 6.499 -11.872 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 -0.727 -5.027 3.426 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 15.375 5.864 4.945 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 24.211 6.602 1.675 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 -3.963 2.172 2.656 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 19.858 2.414 3.761 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 -4.700 25.388 -16.726 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 -3.942 3.923 2.909 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 -15.435 16.659 2.987 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 15.303 7.517 -9.056 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 -3.416 3.629 -1.357 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 19.133 2.298 -12.259 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 -39.188 6.726 16.433 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 -11.132 3.439 0.808 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 -7.947 4.117 -4.888 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 0.706 11.802 12.610 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 -1.336 -1.358 3.640 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 19.629 -11.449 1.923 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 20.188 8.085 9.087 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 -4.209 2.261 1.834 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 38.355 12.201 -2.214 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 13.123 8.392 -3.065 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 7.867 0.255 -0.825 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 11.804 -14.156 5.403 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 -8.342 -1.928 -3.597 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 1.309 -5.076 2.836 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 11.721 -9.148 25.363 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 3.606 -20.522 4.370 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 5.044 6.840 -2.681 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 0.062 18.406 -2.688 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 10.747 1.874 -4.788 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 -7.027 1.353 6.717 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 -8.002 -9.405 1.875 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 7.265 10.654 1.796 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 -1.451 4.409 3.538 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 -5.226 -5.845 -5.378 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 -10.698 4.350 14.170 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 5.573 -3.760 1.686 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 -24.917 -6.848 -0.329 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 16.793 6.807 -35.810 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 -6.235 -2.831 1.170 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 -13.104 -3.154 9.696 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 -9.740 -2.838 -9.538 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 0.801 -3.834 3.961 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 -0.457 6.583 -28.390 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 -4.071 -11.118 -10.772 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 -4.077 -0.304 1.221 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 -4.938 16.024 31.781 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 -17.307 1.084 1.171 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 2.747 1.265 1.134 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 -2.691 0.552 -30.655 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 -8.522 8.706 8.703 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 -1.226 -0.390 10.784 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 -12.357 -4.421 6.797 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 4.702 -0.047 21.854 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 1.187 -4.271 -3.069 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 5.023 -19.447 -8.668 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 18.720 -4.559 7.098 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 3.054 7.632 4.040 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 8.370 6.125 3.824 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 3.358 12.201 1.906 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 -2.577 3.914 -4.584 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 -19.916 2.114 -4.175 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 -9.440 -2.083 5.386 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 -2.368 -7.336 -1.553 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 3.420 -18.802 0.379 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 9.630 -24.143 16.142 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 -3.324 7.390 0.842 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 -23.381 6.701 -1.862 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 -13.533 0.170 3.342 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 2.187 5.263 5.924 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 6.905 14.997 1.408 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 -4.072 -6.574 11.353 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 -5.860 3.201 1.460 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 -7.639 -0.003 -6.880 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 6.518 -5.640 23.237 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 -2.806 3.294 -0.856 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 -18.730 -8.863 20.216 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 25.044 -1.478 7.576 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 -9.579 2.906 3.807 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 29.506 -13.022 19.871 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 3.617 5.174 12.851 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 0.555 -3.262 -1.400 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 -5.342 -10.848 -16.505 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 3.490 -5.297 3.996 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 3.777 -1.148 -6.016 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 9.390 -10.208 -9.499 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 2.764 -5.970 -16.746 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 0.339 -0.721 -3.930 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 28.178 3.449 8.700 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 -15.961 -12.897 -20.764 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 -6.782 -2.594 -5.073 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 -16.418 7.353 -8.048 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 -1.940 -13.089 -2.288 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 -4.036 2.542 4.869 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 -10.268 -25.448 10.963 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 -5.002 -4.026 7.514 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 4.070 3.240 -0.689 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 3.141 0.625 -0.892 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 9.165 3.922 12.216 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 2.286 3.332 0.875 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 28.750 -0.006 -3.685 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 24.806 1.446 17.655 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 -1.187 3.481 -6.676 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 -3.176 4.836 11.731 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 -18.705 -8.835 -12.761 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 -0.517 1.876 -10.020 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 27.240 -36.642 -4.731 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 -9.256 -4.059 -4.032 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 1.685 3.369 -0.999 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 -19.307 2.411 -8.387 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 4.961 5.755 6.719 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 3.974 -1.320 -3.323 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 0.019 -15.936 -10.180 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 10.371 12.068 -1.965 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 0.111 -4.367 -4.233 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 12.984 14.305 18.114 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 -18.657 -12.500 -18.447 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 -5.308 -4.249 -2.939 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 -3.381 -6.138 -7.852 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 -7.964 -11.400 3.755 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 -1.647 -5.230 -0.693 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 -9.543 -3.545 -14.538 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 -11.802 -5.303 11.745 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 -4.185 6.491 -4.394 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 -4.414 -7.722 13.137 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 -3.979 12.216 -22.092 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 9.331 -0.260 -4.522 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 1.591 11.449 10.207 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 -1.041 10.432 -23.073 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 -5.214 -4.068 5.698 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 37.026 8.268 -8.737 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 -2.241 -11.528 -3.512 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 -2.345 3.637 -5.089 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 -8.686 13.566 -17.896 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 18.847 5.758 7.995 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 7.815 -0.281 -0.903 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 -18.706 -4.096 18.271 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 5.683 -0.588 1.141 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 -7.532 -5.563 4.067 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 2.645 -1.803 4.697 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 -12.049 9.944 -1.350 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 -8.140 -4.437 -4.909 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 1.189 -0.350 -5.061 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 -10.775 -1.818 -12.324 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 -3.471 -2.076 2.422 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 -2.610 13.151 2.613 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 21.136 -20.650 -6.935 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 -1.438 3.077 5.371 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 5.047 12.941 1.931 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 -13.055 -8.520 2.250 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 -4.681 0.076 -1.005 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 2.497 2.442 -4.162 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 -2.560 -4.818 1.419 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 1.395 2.159 -3.962 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 6.891 0.013 -2.548 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 -12.376 6.525 -7.287 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 3.628 0.348 -4.182 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 4.643 -1.486 -4.149 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 9.451 -20.874 -5.437 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 4.398 -6.221 5.794 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 -8.534 -4.423 3.638 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 4.072 -11.404 16.491 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 4.230 -2.738 0.015 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 11.544 -3.483 6.127 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 15.070 0.524 -6.667 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 2.762 -3.615 -1.775 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 -9.882 -1.681 11.587 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 -4.678 1.936 -20.985 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 -1.691 -3.473 0.653 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 -14.566 2.063 3.072 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 -35.887 -0.989 17.231 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 4.487 0.584 -3.528 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 6.792 5.227 -4.562 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 -12.556 12.357 -20.546 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 1.476 2.211 2.350 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 0.013 7.396 -22.433 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 22.590 16.652 -5.136 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 -2.556 0.842 2.793 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 -1.357 9.729 6.351 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 9.342 -18.889 2.677 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 -0.548 -0.361 7.563 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 -32.090 1.764 11.286 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 0.694 3.986 2.022 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 0.625 0.877 1.564 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 3.097 -2.039 1.669 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 25.111 -7.881 9.238 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 -1.584 0.813 -3.574 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 8.774 -22.724 -4.348 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 -1.536 7.455 -4.934 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 -5.936 -4.625 -1.707 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 -13.655 -6.745 1.867 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 -3.066 0.579 -16.595 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 -7.869 -2.113 -6.309 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 -4.570 1.366 5.713 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 -11.382 -5.024 -28.647 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 3.210 5.640 -2.760 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 4.079 5.932 -16.329 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 -1.217 4.001 -5.933 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 1.527 6.932 1.907 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 -12.278 -18.627 -7.160 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 23.819 29.697 7.381 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 9.329 6.652 5.632 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 -6.801 9.389 1.677 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 12.872 -9.022 0.322 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 8.328 3.132 2.955 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 -13.943 7.646 17.116 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 -31.411 13.184 21.172 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 1.445 -8.964 -1.767 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 3.824 -9.036 -5.873 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 1.801 -7.383 -3.993 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 -0.713 2.754 -7.077 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 -4.047 0.490 3.843 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 0.087 14.195 5.414 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 -0.475 4.562 1.427 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 -0.461 -1.499 5.846 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 -2.765 11.027 -2.437 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 0.036 -4.726 -4.746 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 -20.326 -5.658 -36.456 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 11.749 -4.371 13.494 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 0.121 1.713 -3.052 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 -19.261 7.070 -0.226 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 -16.853 -3.282 5.081 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 -3.038 2.669 -4.171 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 -7.545 -3.224 -2.570 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 1.328 3.826 -0.905 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 9.156 5.727 4.652 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 12.650 6.605 -1.708 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 7.687 4.703 7.350 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 5.238 -1.094 5.204 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 1.399 -16.079 6.615 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 8.236 3.412 3.707 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 -2.785 -4.206 -0.544 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 -1.366 -3.326 5.504 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 -7.745 -14.082 -1.700 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 -1.846 -2.528 1.251 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 -9.168 -5.510 -2.785 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 10.097 0.889 4.203 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 -0.495 3.551 -3.503 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 0.975 9.610 -19.917 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 -8.808 -0.951 -4.370 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 -6.001 1.158 -4.108 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 -9.648 1.694 15.650 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 -8.509 0.735 17.890 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 -2.593 -1.701 -2.015 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 10.587 -1.951 -20.923 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 9.796 -19.856 5.486 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 -2.972 -4.303 0.433 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 12.358 -10.279 4.546 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 0.372 9.305 -10.514 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 -4.252 1.315 1.986 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 -10.100 -14.911 15.269 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 -7.054 7.034 0.927 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 4.209 5.687 2.624 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 7.046 -1.083 5.731 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 3.471 19.260 1.829 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 -3.736 2.028 6.902 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 -0.307 9.006 5.755 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 -3.391 1.298 6.668 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 1.486 5.555 -0.961 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 15.786 0.541 6.759 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 17.176 0.251 8.701 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 -0.595 0.449 -6.852 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 16.711 8.417 -16.322 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 -8.162 17.341 -0.142 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 -2.162 9.094 2.485 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 -2.615 -13.836 0.941 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 -3.406 -11.576 13.837 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 2.982 -0.909 0.717 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 -0.247 9.877 13.003 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 3.747 17.841 -8.467 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 -6.294 -2.784 0.238 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 1.254 8.652 -5.293 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 -19.352 -21.476 -10.992 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 8.857 3.850 -1.908 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 8.530 -16.941 -7.040 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 19.429 -6.239 -23.370 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 7.944 0.313 0.842 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 14.880 7.709 7.540 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 10.459 -13.079 -7.005 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 -2.842 6.510 2.871 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 -0.100 -6.247 24.306 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 4.072 0.023 -15.170 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 -2.172 -0.991 -3.047 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 10.515 5.220 2.644 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 2.670 -21.466 -11.580 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 12.202 -2.343 -5.679 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 -3.430 -3.587 5.049 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 -3.993 23.647 -0.374 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 -0.106 -1.798 -3.380 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 1.860 14.332 9.606 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 -7.448 5.883 -16.827 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 -2.552 -1.855 1.766 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 -1.534 -3.977 -12.154 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 -2.996 0.324 13.304 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 -2.614 -0.247 -0.401 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 18.033 15.123 10.470 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 -23.017 -23.076 28.704 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 1.255 -1.074 1.263 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 2.187 4.376 0.613 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 6.725 -10.712 11.041 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 0.790 -2.008 -0.750 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 -3.564 2.219 5.487 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 -3.490 -0.421 4.572 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 -9.885 2.426 2.391 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 24.085 6.458 7.842 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 -0.163 20.828 3.163 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 1.646 -1.337 7.115 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 -12.211 10.493 -43.543 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 1.800 -7.410 20.102 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 2.523 -0.124 7.456 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 -14.713 -20.747 -1.826 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 2.346 -4.608 5.917 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 -2.018 4.995 6.412 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 -13.509 -2.163 2.980 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 -19.490 2.807 1.180 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 -0.807 7.470 -11.410 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 -1.007 1.354 -15.649 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 10.966 7.859 -8.496 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 -3.706 11.307 2.766 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 9.278 24.361 -4.712 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 -4.149 8.385 -1.571 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 4.423 3.581 -0.365 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 2.980 -1.409 1.327 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 -0.908 6.615 -1.367 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 7.838 1.083 -3.745 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 8.925 3.163 -10.801 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 -1.873 -11.453 30.560 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 1.209 0.329 0.907 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 -8.597 4.266 39.704 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 1.107 3.317 -1.085 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 -4.654 4.344 -6.670 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 -21.834 13.813 18.736 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 16.103 -3.614 -10.263 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 5.279 -4.774 -1.363 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 0.233 1.018 11.653 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 28.795 -1.495 -10.551 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 -1.562 3.336 -3.049 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 -20.092 13.322 -9.739 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 -10.865 7.369 -20.891 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 -4.490 -8.209 1.293 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 9.965 16.203 2.195 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 -2.637 -9.273 -0.120 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 2.013 -3.173 1.141 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 -1.304 21.238 -15.924 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 -7.996 4.508 -11.662 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 -3.846 0.117 -3.196 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 6.544 -24.477 -8.859 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 5.322 -4.241 -1.164 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 3.377 -6.867 -0.658 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 13.028 -7.729 5.648 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 19.420 -9.317 10.187 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 -1.903 5.266 8.168 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 -10.454 15.635 12.616 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 14.515 6.427 5.568 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 1.684 2.517 -3.113 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 4.720 -2.720 14.042 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 2.398 1.456 -20.203 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 -1.203 -0.769 -1.154 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 14.745 8.773 -14.672 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 7.538 4.527 -9.068 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 -2.178 -2.234 1.218 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 -5.868 4.375 8.330 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 0.489 -8.011 -2.707 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 0.099 1.914 0.375 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 4.141 -3.246 -4.626 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 -16.727 15.566 19.936 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 -4.399 -3.939 1.527 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 2.645 -3.287 7.913 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 4.082 3.750 13.773 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 -5.740 -2.048 -8.839 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 -0.476 -13.250 -0.649 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 -3.478 -2.798 -7.741 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 -0.346 -5.391 -5.751 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 -0.293 -10.873 -11.130 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 -20.681 9.958 -7.712 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 -3.430 -5.984 0.511 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 5.177 -18.583 -2.024 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 -11.894 0.827 -1.541 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 5.029 0.822 3.661 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 -5.121 -3.542 8.278 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 6.586 -6.991 -6.565 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 -3.461 -3.816 -1.865 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 -1.153 3.048 -1.268 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 -8.665 -13.494 8.136 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 4.989 -3.703 4.059 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 1.211 -16.288 6.579 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 5.894 16.018 9.188 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 1.591 -1.159 0.446 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 -22.298 8.912 -3.076 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 -8.121 -4.720 26.837 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 6.822 1.418 1.278 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 12.635 5.083 0.326 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 -10.974 2.182 9.193 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 -5.798 1.293 5.647 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 -5.093 6.938 3.654 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 -4.946 -2.399 1.275 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 11.664 5.478 5.772 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 3.114 8.920 -1.343 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 -3.392 -5.231 6.427 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 -2.732 0.493 -4.001 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 3.312 -8.885 2.864 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 -12.148 -7.202 -15.286 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 -3.049 -8.574 5.016 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 -14.701 -5.049 7.921 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 -2.909 -2.047 7.513 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 -5.659 2.474 2.189 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 -12.194 -18.295 23.020 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 -11.995 -14.106 20.189 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 2.480 -0.149 3.971 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 -6.796 15.618 10.428 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 0.715 18.311 -13.463 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 -4.150 0.443 4.273 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 -19.058 -27.094 16.304 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 8.196 7.555 -12.488 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 2.428 -4.575 -7.057 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 8.441 -0.627 -9.849 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 -25.814 -27.220 -19.210 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 -2.850 -6.066 -1.158 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 -4.016 -12.089 -4.469 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 1.686 9.278 -2.785 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 -3.737 4.238 -1.827 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 2.711 21.735 -17.262 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 -10.350 10.936 20.448 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 -6.054 1.981 -4.890 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 -5.831 -9.600 13.455 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 -15.313 29.808 12.667 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 -4.922 -3.439 -5.591 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 -5.581 -1.918 -2.447 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 -21.008 23.529 -23.482 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 -0.466 -9.484 0.587 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 -6.239 -15.255 6.888 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 3.149 -4.491 -4.056 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 0.323 3.758 4.030 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 -19.591 8.805 21.933 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 -22.203 10.318 21.647 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 0.435 5.543 -1.002 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 6.671 -19.310 0.851 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 3.383 23.513 24.182 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 2.909 -3.283 1.952 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 18.332 8.975 16.387 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 7.535 -3.281 -7.768 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 2.624 0.822 4.982 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 -0.802 23.193 6.550 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 -0.164 -17.921 5.547 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 1.313 3.925 3.572 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 17.208 -5.353 -29.430 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 6.759 -0.592 -5.875 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 -0.480 -4.069 1.884 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 21.824 -4.026 12.468 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 8.484 -3.531 4.734 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 5.060 -11.452 -0.117 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 15.281 10.694 17.423 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 -0.065 -2.732 -25.162 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 0.623 0.933 4.390 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 -11.932 -22.670 1.452 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 -3.552 7.704 30.588 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 -2.781 -5.097 1.817 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 -1.240 -0.986 2.809 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 2.727 -7.367 -2.273 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 -0.356 -0.559 -2.688 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 12.704 23.912 10.423 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 24.605 -5.157 -0.718 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 3.642 2.744 0.291 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 -9.389 8.069 -9.684 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 -2.659 6.379 15.808 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 5.589 0.118 -1.626 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 -3.876 2.805 16.530 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 6.953 20.578 -12.034 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 0.225 -1.410 2.862 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 2.437 12.423 -20.425 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 -1.098 -1.901 -14.223 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 3.475 -1.064 5.953 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 -16.448 -39.667 6.555 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 1.449 -3.909 14.608 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 -0.082 -3.902 -5.605 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 15.557 -11.883 8.712 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 3.621 4.476 6.071 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 -4.269 -1.139 3.257 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 -0.386 5.866 8.162 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 -1.849 -4.044 -1.081 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 2.781 1.798 -5.546 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 -9.845 -5.643 -1.265 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 6.109 12.880 -8.197 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 0.613 -1.639 -1.871 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 0.671 11.423 -7.134 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 -4.356 -1.436 0.327 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 3.283 2.078 -3.697 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 11.249 1.873 -7.263 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 14.072 -0.759 -4.069 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 7.761 9.490 0.432 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 8.353 29.559 13.663 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 12.762 3.343 -4.951 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 3.979 2.703 -4.654 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 7.074 3.666 -13.017 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 -5.095 16.806 -4.191 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 -0.861 1.921 -5.933 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 24.206 -13.636 2.312 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 -14.711 -2.209 -3.413 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 -3.050 -6.141 4.392 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 -7.704 -25.020 -4.564 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 -5.946 -21.243 -1.542 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 4.991 5.433 -3.658 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 13.288 7.587 -22.150 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 27.188 -8.536 17.979 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 -5.373 5.311 2.520 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 5.096 11.541 13.211 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 11.607 -0.444 0.509 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 -0.151 2.261 4.462 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 10.574 1.184 20.475 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 24.218 8.850 -4.926 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 3.675 -8.308 -3.429 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 6.476 -9.273 -1.954 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 1.355 -5.296 11.995 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 4.919 -6.525 0.746 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 6.898 32.870 -29.080 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 11.739 -6.300 3.112 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 7.650 7.499 1.433 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 14.385 28.696 7.287 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 5.313 6.602 -18.898 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 1.064 1.457 -1.449 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 -6.666 -5.608 8.386 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 13.828 1.120 0.755 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 2.750 -0.291 -3.268 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 -3.822 3.588 12.398 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 3.274 -0.355 -5.078 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 -0.679 0.197 -4.604 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 -8.650 -3.362 2.038 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 -6.748 -6.975 11.962 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 -1.315 6.839 0.638 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 -5.184 9.381 12.816 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 -5.138 -2.444 11.247 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 5.111 2.581 2.109 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 -1.113 -11.078 -3.809 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 -10.132 14.442 -2.365 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 0.791 0.090 3.488 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 -22.552 5.007 -7.210 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 4.014 -4.340 33.949 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 -1.778 -2.221 -4.764 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 -18.522 13.838 -10.568 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 20.510 -12.859 4.176 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 3.130 3.024 4.071 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 -4.057 -4.414 11.551 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 23.342 -11.887 11.703 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 1.596 1.209 0.753 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 31.561 4.684 -1.883 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 9.907 7.645 -20.185 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 -4.542 -2.991 2.620 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 15.307 -3.001 -2.820 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 -2.481 -2.585 -4.290 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 -0.070 2.417 0.427 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 -15.193 7.905 5.135 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 9.759 -4.585 3.072 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 0.049 -1.888 3.556 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 -0.516 -0.767 4.212 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 -9.445 -9.087 -1.921 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 -5.165 -2.185 6.318 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 -5.470 -19.730 13.406 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 -19.078 12.373 17.440 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 9.997 1.599 4.957 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 -1.028 -2.427 9.141 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 -3.639 4.040 7.718 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 -1.474 5.282 -1.338 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 -2.430 6.884 0.560 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 1.712 0.371 -5.126 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 -2.928 1.481 6.183 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 4.654 2.296 2.750 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 4.675 6.759 -7.684 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 -9.009 -2.140 -0.177 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 -15.253 5.499 -5.834 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 -11.007 -13.637 -2.297 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 -0.721 -4.394 -3.915 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 -0.425 -5.405 -3.642 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 0.822 -7.329 -2.842 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 1.287 -3.865 -2.389 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 -5.735 -26.930 -19.832 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 -10.938 5.400 5.345 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 -3.999 8.044 1.716 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 -13.998 -23.215 -8.925 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 -14.610 9.789 6.725 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 0.436 5.330 -7.499 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 6.984 4.889 -6.336 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 -1.560 8.025 -5.415 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 -1.101 -3.234 1.458 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 -18.049 -4.071 -17.305 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 4.207 -3.485 -1.448 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 -0.122 -4.512 2.228 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 15.090 -8.181 2.163 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 2.688 -4.911 -4.026 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 -7.058 6.255 1.072 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 29.125 -22.027 9.161 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 -13.879 20.940 1.861 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 -5.836 1.990 -2.445 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 -3.359 -5.344 -6.855 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 1.661 4.804 -21.509 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 -6.136 -8.275 0.603 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 -7.009 -7.930 -8.955 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 -1.288 -6.391 7.763 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 -2.246 -4.527 7.488 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 -9.925 -2.805 -3.012 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 20.303 -6.382 16.982 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 1.511 2.174 -1.438 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 -11.244 -8.047 -15.752 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 3.566 -6.835 -0.119 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 -7.925 -2.078 0.299 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 27.510 26.222 1.512 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 -21.714 -1.789 39.418 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 -3.992 6.355 -1.885 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 -5.973 22.297 -10.096 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 -12.988 2.207 13.080 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 -2.605 -3.170 6.926 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 -10.129 3.768 1.298 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 -5.585 -3.064 17.654 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 1.416 0.696 1.754 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 3.066 -4.463 10.194 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 2.196 2.875 -12.438 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 0.590 1.204 1.021 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 19.677 -2.001 -6.242 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 8.902 41.304 -4.939 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 -2.917 1.574 10.798 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 -9.659 -13.521 38.603 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 12.167 10.861 -40.650 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 5.872 1.707 5.569 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 9.629 1.818 -2.736 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 10.816 5.985 18.101 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 9.597 0.683 -0.005 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 15.381 -13.291 -17.422 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 5.644 6.629 16.324 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 -1.670 -6.249 0.012 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 -11.794 -27.451 -14.269 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 14.999 25.325 -16.129 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 3.971 -8.002 -0.741 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 -14.255 7.104 -7.542 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 -14.000 7.200 -5.902 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 -7.371 0.747 -4.479 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 -6.584 -0.769 -5.794 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 -8.476 9.628 -11.458 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 -2.517 0.376 1.767 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 -13.191 1.989 11.548 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 8.722 -7.977 -1.288 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 -4.831 -2.159 2.279 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 -20.156 2.209 13.637 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 7.488 -35.999 -7.243 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 8.082 -1.219 1.955 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 6.931 0.144 14.293 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 2.454 7.530 -2.227 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 3.215 -0.131 5.470 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 -1.574 5.950 7.479 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 -3.263 -0.347 7.587 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 -5.424 1.016 -6.448 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 0.946 -6.767 4.606 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 -13.003 -3.247 -1.401 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 5.798 0.188 -0.834 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 17.055 -35.723 3.556 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 1.230 7.957 -0.882 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 0.222 2.701 -3.452 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 -6.962 -4.356 -14.559 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 -0.170 5.295 -1.709 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 -2.881 1.989 5.729 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 23.021 -6.021 18.428 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 -14.081 38.955 18.598 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 -2.172 -7.353 -0.106 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 9.888 -14.037 -3.560 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 5.926 -16.253 -3.797 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 3.424 0.506 2.074 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 6.129 2.238 0.518 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 2.397 2.637 16.504 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 -2.697 4.563 6.242 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 -18.340 -0.579 21.433 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 1.305 -14.438 -4.355 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 -4.428 1.619 -1.041 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 -13.503 2.273 -3.498 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 0.609 2.045 0.544 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 -8.495 -3.378 -0.807 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 2.029 15.501 20.819 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 -8.218 -10.465 -5.559 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 0.125 0.738 1.653 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 -1.455 -15.225 2.801 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 -8.811 -3.374 -2.703 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 -0.690 1.283 -0.678 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 13.965 -5.349 4.554 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 0.967 -13.760 -9.460 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 1.897 0.130 -0.251 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 4.216 9.924 -22.815 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 -0.258 -10.876 12.376 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 4.816 -0.005 7.103 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 24.925 -19.585 20.163 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 13.519 4.653 -1.244 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 -0.390 -5.801 1.766 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 10.813 -2.924 -13.472 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 22.192 -15.862 -7.031 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 -3.690 -2.417 4.119 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 4.606 9.638 -5.451 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 7.337 -0.724 7.871 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 -2.020 1.675 3.327 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 -2.480 0.218 0.259 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 0.119 -1.653 0.355 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 5.690 -2.889 -0.472 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 -0.204 -8.211 28.977 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 8.200 0.252 -16.785 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 6.069 -0.396 -2.611 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 -33.559 4.426 8.379 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 9.908 -0.195 -3.370 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 -2.842 -0.468 1.249 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 14.571 -8.211 14.994 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 -21.547 6.855 -7.219 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 -4.243 -1.131 -0.401 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 -15.879 27.355 -22.445 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 1.945 -16.854 10.295 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 7.293 -0.285 -0.379 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 -11.325 5.382 3.393 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 19.902 18.282 -2.397 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 -2.343 -0.884 0.161 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 11.154 -1.994 11.160 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 -9.832 -0.603 -8.892 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 0.878 -2.063 -2.180 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 -10.537 4.780 2.691 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 -3.925 0.979 -4.528 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 -3.152 -7.388 -9.224 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 -8.183 -5.184 -6.189 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 4.838 16.813 -26.049 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 -5.671 1.361 0.055 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 0.660 -10.466 2.635 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 2.075 -19.856 4.486 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 0.005 -7.972 6.282 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 -12.536 -1.825 5.890 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 -10.035 -5.965 9.974 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 -2.308 -8.258 6.678 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 -1.400 -1.473 2.160 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 2.425 -8.745 -14.851 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 -0.437 3.829 5.302 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 -0.200 4.538 -1.036 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 0.738 16.111 9.604 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 -3.675 -0.147 8.025 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 2.262 -6.472 14.074 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 -12.063 22.182 5.835 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 3.122 -4.979 -6.031 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 -12.773 19.682 -16.888 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 -4.187 6.381 -11.400 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 4.681 1.503 0.726 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 14.275 -15.704 -2.275 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 18.173 -3.642 -5.631 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 1.004 -5.924 4.584 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 1.462 -8.043 -4.300 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 3.649 -9.989 8.616 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 1.889 -3.694 -4.991 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 -0.834 2.920 -7.097 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 2.269 -20.859 6.477 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 1.343 -6.022 3.730 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 -9.605 -14.725 8.830 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 -34.191 -11.132 -3.329 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 5.169 -0.179 -3.876 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 1.497 6.501 -1.566 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 -17.402 -19.341 21.125 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 -2.191 -3.489 -1.042 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 19.247 -7.462 -4.213 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 -13.599 -11.460 -20.600 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 1.600 1.477 3.131 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 2.240 -0.659 10.743 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 -6.521 17.728 -0.788 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 0.221 2.181 5.232 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 -30.053 4.807 22.405 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 13.408 0.284 -1.564 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 -0.160 -3.646 -2.283 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 6.029 11.883 -7.654 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 1.943 15.205 14.664 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 -5.832 1.292 -2.098 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 -2.829 15.148 -14.835 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 4.650 -1.420 0.316 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 -3.973 -3.882 5.557 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 25.430 -8.766 9.885 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 -1.420 -10.559 -18.353 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 0.956 2.353 -1.403 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 -1.041 -1.035 -12.962 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 -1.305 0.382 9.960 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 -7.521 6.694 -2.293 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 4.904 3.135 -4.334 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 -8.087 21.738 16.905 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 -6.402 -2.981 0.546 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 -6.823 -5.410 2.743 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 -1.640 1.433 -4.434 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 3.622 -8.383 8.362 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 -1.801 -19.400 -11.237 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 -5.169 -2.463 21.988 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 -0.624 7.228 2.938 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 0.616 -18.339 -2.420 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 -3.515 -1.963 11.894 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 -0.394 -0.881 5.436 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 33.801 2.233 1.691 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 -7.443 3.016 5.789 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 7.455 -1.696 2.157 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 13.345 3.875 -1.018 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 -9.558 18.204 3.853 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 -2.511 -3.758 -1.021 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 11.817 -29.890 -10.864 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 -1.173 -21.115 -9.387 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 5.534 1.208 -0.170 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 -0.522 -5.312 -2.296 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 6.924 0.213 12.901 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 -2.221 0.819 -2.108 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 4.985 -3.101 -10.347 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 25.110 5.094 -26.127 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 -3.996 -2.772 -5.464 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 3.434 5.080 -2.160 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 -10.590 -6.551 -1.340 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 -2.402 7.122 -7.009 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 -14.995 16.426 18.930 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 -5.210 8.146 -2.673 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 6.840 6.597 -1.356 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 -1.642 -34.019 6.726 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 13.668 2.574 -3.821 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 -9.137 4.555 -1.122 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 -15.058 -0.189 -9.329 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 5.550 28.431 31.604 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 3.511 5.447 -0.131 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 7.942 -8.217 0.143 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 -1.705 9.842 2.759 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 4.185 2.391 -2.118 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 -8.871 8.271 -23.346 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 1.560 14.232 12.906 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 0.009 3.170 -0.784 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 -9.411 1.162 10.304 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 -11.525 14.361 -11.008 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 3.891 -3.389 4.250 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 10.769 -2.604 -6.813 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 5.668 -3.250 1.143 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 -5.712 -7.520 -5.668 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 -8.143 -20.124 -4.067 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 -11.089 -4.130 18.851 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 -1.745 0.412 -4.747 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 -22.428 -6.880 -8.458 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 3.216 15.614 -1.406 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 -4.645 2.326 -4.645 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 6.729 -0.399 12.446 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 25.050 -4.931 20.475 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 0.874 1.115 2.244 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 -17.855 -26.408 -4.815 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 13.155 6.620 -0.724 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 3.191 -4.277 -5.091 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 -10.067 -10.557 -0.113 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 2.501 26.842 22.956 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 1.194 3.353 0.101 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 7.194 6.205 36.485 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 -18.358 -24.553 -9.867 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 1.926 2.803 0.867 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 -1.830 17.634 0.052 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 7.550 6.143 6.018 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 -0.303 0.660 -5.887 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 7.365 45.706 -22.574 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 -0.692 -3.856 -6.239 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 -1.315 0.348 1.870 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 6.422 6.264 -13.940 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 -27.681 -3.517 21.094 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 3.731 -3.185 7.548 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 26.525 3.938 20.932 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 7.489 8.099 -15.161 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 0.152 -6.440 2.614 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 0.397 -5.558 2.717 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 7.686 7.694 7.619 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 7.040 1.913 4.175 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 13.384 -2.326 -13.580 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 -3.823 -3.390 -3.374 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 3.972 1.754 2.934 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 0.929 1.458 5.161 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 8.298 6.044 0.486 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 6.042 4.509 -5.657 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 23.132 -5.064 -8.514 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 -7.522 2.678 -7.777 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 -1.042 2.153 3.344 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 0.117 0.345 1.966 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 6.694 -10.320 -2.948 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 1.614 3.855 5.231 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 -2.497 12.497 3.820 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 -1.282 1.325 2.791 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 1.047 -2.756 5.414 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 -3.773 24.964 -0.478 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 18.475 0.995 -16.242 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 -3.768 2.410 1.477 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 6.650 21.409 9.463 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 2.477 3.528 -3.621 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 -6.654 2.513 -2.004 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 -14.752 16.814 -3.101 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 -20.730 8.827 4.369 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 -0.437 6.442 -6.944 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 -11.051 2.489 -26.533 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 -5.705 -6.757 6.149 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 -3.494 -0.835 -4.344 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 2.248 -33.167 -20.390 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 7.301 -7.000 2.678 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 -3.828 -6.313 9.040 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 -5.592 -12.492 17.172 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 2.884 -5.874 18.090 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 -1.098 -1.311 -2.172 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 -8.899 20.857 9.313 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 -0.017 -9.602 -6.664 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 2.267 -0.376 -5.342 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 38.932 20.035 -2.956 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 9.007 -13.581 -11.528 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 0.259 0.884 0.813 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 15.788 3.069 -8.845 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 -33.248 -3.743 -6.457 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 -0.722 4.343 1.959 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 7.303 3.567 -9.444 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 -23.239 9.525 49.151 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 2.128 -2.003 1.528 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 12.259 0.246 -9.706 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 4.826 -5.883 12.502 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 6.340 -5.001 0.315 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 15.769 -2.198 7.967 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 8.830 -1.833 -0.927 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 1.612 -6.101 -3.325 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 -3.218 25.627 -15.101 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 -18.971 -2.184 -14.486 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 -1.984 1.624 0.874 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 7.510 -4.344 -3.833 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 -3.032 -20.905 10.213 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 -4.929 1.495 6.255 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 -23.113 7.373 18.892 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 2.935 -19.460 -5.157 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 -1.204 1.620 -3.440 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 -3.610 6.400 14.023 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 1.846 3.484 3.895 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 -1.988 1.956 -1.149 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 -8.112 6.187 1.287 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 -1.479 -11.361 -1.294 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 1.893 -5.945 1.717 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 0.191 -10.480 -2.659 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 5.069 -26.227 -5.253 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 -5.089 -1.052 -7.479 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 -0.706 7.080 -3.784 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 6.576 -10.378 -9.409 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 -2.268 3.073 -7.366 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 -7.143 -15.672 -14.061 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 -3.068 18.230 -3.106 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 -3.405 4.178 0.177 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 3.660 26.145 2.068 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 -14.864 1.168 -2.226 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 7.280 6.094 -1.887 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 15.566 -0.157 -13.021 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 4.618 -7.434 5.919 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 13.688 6.887 -6.538 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 9.925 -13.929 15.429 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 -15.891 27.577 -18.132 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 1.287 -4.180 -6.362 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 14.119 10.171 0.625 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 -13.733 12.116 3.130 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 -0.475 1.634 -10.212 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 -0.334 -3.224 -15.097 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 -0.505 -2.643 -8.052 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 10.845 4.730 4.640 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 -6.165 0.441 -8.521 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 28.188 -4.354 -3.340 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 -1.954 -10.208 -9.131 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 21.944 -1.086 -11.244 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 4.456 -3.795 -20.227 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 8.667 0.729 -0.507 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 15.427 22.285 -13.650 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 3.231 -15.676 7.604 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 5.980 3.739 0.827 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 -1.303 26.320 -3.919 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 1.185 -22.312 -17.056 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 5.173 -3.463 -9.466 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 3.778 0.656 -6.272 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 -4.244 5.327 -9.182 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 -1.211 -7.648 0.715 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 9.816 -11.038 23.889 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 14.768 -10.660 17.166 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 5.820 -0.845 12.720 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 45.023 5.372 1.632 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 -11.568 -26.252 -14.369 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 7.350 -0.966 -5.847 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 8.519 -0.511 3.094 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 14.251 -2.857 -13.569 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 -1.300 1.391 -4.346 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 12.455 -11.855 6.604 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 -2.414 -9.839 -9.051 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 1.623 1.257 2.856 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 -6.571 1.353 1.786 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 4.859 -9.508 8.837 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 3.956 11.027 2.538 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 -1.228 -2.288 -12.097 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 6.372 19.307 -0.935 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 0.941 -1.831 3.737 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 21.313 4.494 27.396 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 11.151 11.585 4.252 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 -3.969 1.591 0.350 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 -5.518 1.778 3.793 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 -9.837 12.478 15.740 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 2.456 7.772 -2.424 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 5.136 21.622 7.134 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 -2.860 24.887 -14.518 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 -3.684 0.972 -7.528 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 -5.900 24.165 -11.152 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 -1.868 -9.549 -18.355 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 1.071 -3.003 -0.806 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 2.113 11.671 -3.652 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 3.413 -7.281 -10.365 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 0.419 -11.487 1.671 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 -5.306 -21.398 5.316 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 -9.018 23.384 7.840 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 -1.766 -1.887 6.501 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 0.481 -1.300 7.878 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 -5.473 -2.640 3.559 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 1.093 -2.137 -1.213 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 1.461 -11.873 26.217 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 -13.728 -22.561 -16.447 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 -2.395 2.332 4.442 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 13.253 5.580 0.481 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 -18.977 -4.679 12.616 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 2.483 1.688 0.571 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 28.781 18.164 -15.357 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 14.584 5.922 -6.028 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 8.646 3.286 3.111 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 15.461 0.239 7.625 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 9.671 4.077 -4.915 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 -2.623 -1.256 -1.134 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 -1.954 0.389 1.591 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 -3.547 2.434 7.350 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 8.091 -2.445 0.351 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 -14.987 5.825 -9.549 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 14.896 -1.567 9.539 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 4.351 0.591 -1.410 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 3.696 3.121 -1.747 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 5.142 -1.029 -1.212 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 -0.715 1.286 -5.294 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 -4.794 8.264 -13.525 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 9.863 -8.212 2.906 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 4.014 -0.092 3.195 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 5.697 -3.752 7.158 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 2.481 -1.045 -3.742 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 4.893 4.235 -1.247 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 -16.601 -16.814 15.778 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 -1.658 -4.357 4.424 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 1.323 0.242 2.858 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 -0.138 1.971 -0.549 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 -6.893 27.358 -30.307 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 -2.977 2.783 -1.910 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 14.318 -2.300 -10.690 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 10.957 -1.767 -8.885 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 -0.454 3.674 -0.084 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 16.218 2.760 7.417 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 -8.444 -14.704 14.591 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 -7.199 -1.064 3.840 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 -0.359 5.639 -0.885 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 -5.415 -1.575 13.904 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 -5.427 4.542 -3.771 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 6.671 11.747 15.066 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 -31.928 19.970 9.064 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 -2.501 -0.012 2.651 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 7.190 -6.055 -1.604 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 -7.281 -0.722 8.056 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 -3.774 0.318 2.457 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 11.999 -0.103 15.843 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 17.210 0.536 20.863 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 -0.133 -3.558 -2.119 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 12.060 7.673 -2.035 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 -25.666 -9.243 -5.219 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 -2.688 1.421 -4.989 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 -19.290 -8.737 -8.085 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 25.969 -23.346 16.460 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 1.057 -1.540 4.872 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 4.872 -20.543 23.631 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 24.924 -2.517 -6.332 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 -0.301 -4.921 -2.085 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 0.582 -15.681 -13.974 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 5.327 -2.655 -2.453 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 -3.475 0.096 -0.921 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 1.833 10.488 -7.094 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 5.445 -11.855 -6.798 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 -2.455 2.690 -1.826 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 4.610 9.528 -12.192 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 1.361 10.404 10.838 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 0.071 -0.194 -2.883 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 1.561 0.233 12.135 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 -13.064 1.649 12.729 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 -0.473 1.960 -1.207 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 6.543 6.146 4.298 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 10.375 8.326 7.195 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 7.401 0.954 -4.558 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 -15.358 14.174 -8.122 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 -11.927 9.955 -10.404 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 6.674 -2.217 -6.450 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 4.328 -29.197 4.876 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 -20.518 1.398 8.841 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 2.393 6.410 -3.601 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 5.486 10.330 0.496 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 10.018 -15.943 -1.350 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 -1.714 -3.525 2.307 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 4.027 -3.829 8.147 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 -8.575 1.968 2.499 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 -4.849 -0.826 -1.383 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 -4.615 10.514 -2.406 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 -1.908 -30.544 -2.731 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 -4.065 -2.226 0.868 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 18.758 19.016 3.253 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 12.123 6.728 3.473 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 10.112 0.634 10.047 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 12.383 -11.401 23.078 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 18.388 19.104 1.505 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 1.164 4.007 -3.032 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 -6.844 0.480 -5.566 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 -11.204 2.321 16.680 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 -1.980 -5.098 -3.603 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 -4.660 -8.719 -0.667 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 -3.010 -4.460 -2.282 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 4.037 -5.323 4.741 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 -2.991 9.838 1.458 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 -1.160 -9.495 -12.675 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 7.672 2.133 0.886 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 9.751 0.274 -10.024 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 19.372 5.813 -13.339 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 0.876 -0.475 -4.621 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 -0.718 10.227 -10.294 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 0.095 27.663 -20.202 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 -3.634 -1.848 2.686 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 8.384 -17.968 1.426 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 3.730 -1.442 -4.061 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 -0.292 -1.489 1.137 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 -25.328 15.884 -9.186 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 9.458 12.223 -0.235 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 -3.052 -5.454 1.127 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 13.267 -27.835 -21.152 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 20.687 4.238 11.527 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 0.247 -0.471 -0.798 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 3.037 4.098 4.235 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 -4.403 6.869 -17.973 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 1.323 5.849 9.288 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 -21.668 -7.088 8.636 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 21.918 -18.690 -0.502 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 0.933 3.107 -4.040 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 -4.899 11.813 15.598 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 11.308 -4.028 -8.079 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 2.035 0.713 3.301 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 -0.946 1.280 2.089 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 2.368 -0.312 -2.819 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 -1.054 0.493 -4.076 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 -6.378 -11.674 15.650 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 2.474 8.608 2.414 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 -1.835 -3.487 3.039 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 -19.597 4.588 -9.228 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 9.245 -0.114 2.879 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 -2.185 0.464 1.571 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 -0.665 -0.176 1.990 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 -20.324 1.735 10.139 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 0.482 0.959 -3.506 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 1.787 -4.575 -0.519 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 23.277 -11.878 0.632 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 -2.309 -0.400 -1.578 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 17.533 -1.426 -12.585 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 1.933 -1.361 15.581 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 3.654 0.865 1.995 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 -5.008 -13.861 -11.190 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 1.788 1.126 1.262 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 -6.778 5.688 6.197 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 -8.608 -1.847 -7.736 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 -15.217 11.838 0.684 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 1.534 -4.623 -3.059 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 -11.026 -4.834 29.435 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 27.309 -32.609 7.685 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 -6.322 5.790 0.934 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 -11.854 1.932 -4.147 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 -11.763 -1.783 8.686 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 -6.325 0.266 0.835 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 18.244 8.731 17.312 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 16.020 3.360 -9.211 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 -2.853 5.245 -3.888 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 -5.110 7.465 6.178 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 -3.129 5.304 -2.838 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 -4.724 -1.665 1.673 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 13.508 9.632 -40.968 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 -8.809 -10.405 -0.345 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 0.807 3.111 3.706 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 1.844 3.587 2.410 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 6.006 -3.214 4.234 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 -1.306 -1.868 3.210 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 -2.764 -17.728 -11.905 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 -8.594 25.704 17.282 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 1.109 4.290 2.800 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 2.349 0.718 0.400 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 -3.939 5.073 3.086 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 -2.685 2.156 3.215 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 0.506 1.502 0.475 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 -10.736 -1.706 -1.106 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 3.182 -0.297 -7.717 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 2.829 -0.359 -9.197 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 4.425 10.960 6.320 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 1.466 1.442 4.714 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 -2.616 -22.609 3.953 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 -1.131 -0.129 0.049 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 -3.334 0.905 2.572 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 23.037 -15.324 18.519 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 21.496 -1.702 -0.235 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 -1.432 7.363 -4.764 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 7.482 1.985 7.192 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 1.318 -9.097 6.865 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 -6.153 -1.489 -1.146 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 -4.537 -3.608 -7.921 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 2.609 0.934 -13.078 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 7.390 -2.397 2.064 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 -0.878 -4.708 -0.308 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 8.892 -6.339 10.234 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 -5.009 -2.767 -1.883 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 6.056 14.920 -8.656 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 -25.456 2.203 -4.800 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 -4.424 -4.734 -5.977 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 -21.560 -4.107 -24.921 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 9.472 -3.740 8.806 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 -2.214 -5.072 0.730 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 11.116 4.974 -15.873 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 -1.137 0.934 -9.604 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 -5.178 2.927 8.334 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 1.043 3.089 -4.436 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 23.200 -0.003 -26.366 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 -3.590 -0.106 -5.410 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 23.189 7.642 0.133 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 30.167 16.374 8.124 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 -3.744 -2.150 -2.599 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 15.154 -10.117 4.859 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 -23.782 -3.667 -6.544 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 0.956 6.402 2.339 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 17.812 4.331 -23.044 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 17.306 -0.400 -27.566 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 8.772 0.055 0.285 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 -0.512 -11.826 -16.813 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 5.037 -0.580 -1.559 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 -1.272 -0.631 8.920 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 7.060 0.024 7.682 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 1.267 -7.811 1.922 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 2.462 -3.757 1.015 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 -16.524 -5.452 6.978 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 3.658 3.712 -7.949 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 -1.056 0.026 3.269 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 -0.435 14.761 4.788 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 29.084 9.498 7.862 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 4.732 5.930 0.926 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 -8.142 2.879 -10.698 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 15.582 13.144 2.012 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 -2.730 -9.086 -1.849 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 3.426 -11.850 -23.375 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 -9.158 -7.625 0.643 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 1.578 1.281 -4.184 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 10.898 10.709 -9.021 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 -7.502 11.036 -7.246 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 2.894 11.413 3.255 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 8.613 8.693 10.056 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 -15.577 18.366 6.267 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 4.495 -1.955 -2.834 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 0.928 3.239 -13.327 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 12.698 4.539 -5.976 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 2.007 -0.681 2.013 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 2.219 -1.128 -2.280 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 -6.875 5.321 8.220 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 -1.196 -1.270 0.765 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 -1.391 -1.435 22.741 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 18.897 2.126 -2.028 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 4.256 3.771 4.104 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 2.737 11.302 6.632 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 9.461 0.448 0.713 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 -1.669 -2.086 4.893 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 0.082 23.564 20.491 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 13.469 -21.302 10.356 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 2.996 -2.290 -3.000 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 -4.994 -10.963 10.043 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 14.991 -18.541 -3.356 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 -5.551 4.660 -0.938 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 1.441 -5.136 0.929 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 -4.520 11.809 -9.737 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 4.388 0.294 -4.605 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 -7.260 11.124 -5.028 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 17.590 -12.427 -3.842 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 3.863 -2.462 -4.595 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 6.552 -1.529 -1.859 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 2.431 -2.836 -2.423 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 2.538 0.608 -1.970 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 -3.196 -9.128 12.583 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 3.506 -5.950 -16.061 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 -3.748 3.363 -3.372 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 -6.903 4.546 3.247 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 -2.575 3.464 -3.556 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 6.137 4.063 2.785 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 6.853 -1.060 1.695 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 -4.831 -9.160 5.828 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 4.093 0.345 -2.660 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 11.356 6.687 -6.798 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 -4.587 1.440 -9.207 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 -2.091 -3.231 -1.053 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 -0.313 -2.664 22.909 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 -6.220 15.008 -19.142 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 -7.073 -1.297 0.425 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 -30.945 -2.878 -13.581 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 -10.496 22.245 1.939 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 8.918 2.489 0.631 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 -0.155 -8.004 -7.466 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 9.234 -1.012 5.667 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 -6.443 6.617 -6.989 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 -11.713 17.076 10.637 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 -24.579 4.976 -18.516 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 0.441 0.783 -0.368 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 27.419 5.241 -19.885 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 -8.050 7.977 -18.991 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 -3.078 -6.289 -4.888 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 2.688 -3.632 -7.108 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 -13.108 -13.374 11.293 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 2.114 6.690 1.946 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 16.418 8.113 17.663 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 6.585 12.447 0.787 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 4.577 1.456 6.310 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 -19.434 16.522 -1.109 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 13.649 15.986 2.766 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 -1.503 1.193 -1.707 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 -3.931 8.677 0.239 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 -1.336 1.958 -9.305 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 0.133 0.581 0.766 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 -14.468 20.730 -17.356 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 -25.833 -1.696 -8.885 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 -1.984 5.579 -0.087 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 -8.679 -22.457 -18.792 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 -0.543 0.282 -2.915 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 -1.289 0.988 1.029 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 -9.340 0.604 4.761 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 -8.096 -4.885 -7.935 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 -3.379 2.530 1.983 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 2.925 -12.843 -0.148 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 20.986 -7.963 -4.442 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 2.023 -1.301 -8.646 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 4.073 -3.466 16.431 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 -14.137 9.144 -20.937 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 -3.150 -1.630 4.931 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 -6.186 13.204 2.978 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 -6.154 -0.762 3.548 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 -1.863 -1.031 -0.599 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 -20.611 29.252 7.956 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 -17.418 1.462 -10.112 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 1.802 -0.214 -3.083 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 1.022 7.788 -14.567 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 -7.297 -32.395 -12.475 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 -5.722 1.329 0.917 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 -6.489 1.350 -2.765 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 -6.737 0.337 -9.179 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 -1.356 -4.037 -0.521 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 -17.668 -0.981 6.274 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 5.457 -7.910 -1.920 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 -4.290 4.670 2.723 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 -6.331 10.614 11.358 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 14.307 1.934 0.580 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 -2.871 0.636 0.951 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 -0.329 4.627 3.647 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 -4.008 15.046 26.351 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 -4.061 -7.563 -5.027 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 -7.919 -5.244 7.883 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 2.747 -3.037 -10.895 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 -0.291 -2.443 1.148 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 -19.567 -0.376 17.644 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 10.822 -5.359 12.595 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 -5.629 -3.758 -0.394 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 3.140 -7.110 -11.066 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 -7.728 5.607 -2.947 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 0.930 1.283 -0.906 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 6.727 3.856 -1.935 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 7.641 -0.978 -1.607 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 1.488 -1.961 3.918 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 22.627 -36.710 -15.018 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 18.866 -17.093 -11.611 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 1.641 -3.451 8.631 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 6.131 -2.570 6.496 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 3.468 -3.581 5.925 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 3.270 0.515 -2.309 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 -14.422 2.741 -4.951 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 31.656 9.496 -22.879 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 -3.561 -0.480 -1.246 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 19.317 7.325 8.673 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 -31.372 -11.161 -15.982 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 5.015 -0.404 3.037 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 -8.685 4.087 14.308 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 -3.301 11.490 2.270 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 3.401 3.294 -0.090 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 3.767 -7.568 -23.021 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 26.741 -22.699 -6.993 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 0.151 2.611 2.970 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 -5.572 -15.739 2.366 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 2.051 -0.574 -5.463 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 -3.110 2.767 -2.549 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 2.410 15.852 -1.954 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 -3.389 8.606 -1.797 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 -9.561 2.794 -6.244 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 15.293 -8.678 31.218 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 -0.343 -1.659 7.626 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 0.291 5.937 1.300 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 7.730 6.292 10.390 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 -6.653 1.170 1.828 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 -4.436 5.201 -1.645 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 -6.631 1.864 10.294 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 4.205 12.306 -11.314 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 -0.123 4.982 -6.429 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 12.036 7.288 -16.294 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 -2.041 13.876 -16.093 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 -2.944 -1.227 -1.012 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 -3.683 11.223 -21.926 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 -12.347 -28.687 28.481 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 9.925 4.863 4.335 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 -15.628 0.330 6.565 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 11.505 -3.459 -26.190 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 -3.855 0.774 -2.659 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 1.359 -4.980 9.499 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 -14.236 -6.423 -18.984 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 -6.319 -1.859 0.802 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 -15.295 6.520 -18.107 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 -1.579 -3.855 12.356 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 -7.259 -8.983 -7.145 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 -12.772 -21.403 -17.438 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 -18.790 2.506 -2.738 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 2.958 -2.014 6.162 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 27.580 25.917 0.861 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 19.189 -6.396 3.574 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 4.863 -7.099 2.552 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 -5.489 9.987 26.723 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 10.214 -4.685 -8.376 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 -7.535 -3.104 4.546 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 -1.509 11.835 -1.438 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 2.200 47.248 -11.179 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 5.187 5.383 8.558 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 9.529 16.119 26.883 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 0.479 -16.163 9.772 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 -3.859 -1.663 0.442 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 -13.389 5.587 -2.579 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 10.647 -8.846 12.109 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 3.902 -3.180 -4.444 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 -3.023 -2.252 20.549 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 3.152 4.145 20.502 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 -4.027 -1.644 -4.092 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 -5.079 -5.998 -4.059 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 18.048 -3.543 27.041 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 -0.304 -7.659 8.055 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 -13.385 17.688 -1.270 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 8.793 15.309 37.676 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 1.203 1.563 -2.155 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 -3.611 -17.038 10.687 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 1.392 1.704 3.883 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 5.787 -3.713 0.726 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 2.550 -0.587 11.847 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 8.863 16.224 12.957 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 -4.919 7.597 -4.482 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 -17.377 11.756 17.864 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 -21.694 8.840 28.027 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 -0.133 -1.518 0.751 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 12.731 -10.856 0.917 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 22.089 -13.466 1.347 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 -0.088 -5.344 0.397 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 -7.827 0.796 11.476 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 15.587 -1.425 -1.327 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 3.267 -1.642 2.533 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 -4.239 -1.038 -1.365 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 -24.054 4.274 -9.426 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 8.133 -0.194 0.222 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 15.374 14.558 -5.007 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 6.699 -1.921 10.695 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 6.922 7.271 1.578 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 4.210 -10.766 4.413 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 -13.502 -10.782 12.810 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 5.173 2.431 -5.062 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 16.651 -3.313 -10.792 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 1.646 25.979 7.653 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 3.264 0.644 -1.471 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 7.785 -7.640 6.779 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 35.133 15.978 16.869 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 -1.629 3.999 -5.394 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 -14.420 11.527 -10.049 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 16.360 -16.507 -0.213 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 -2.560 4.890 1.617 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 -6.459 13.964 8.804 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 -17.192 6.829 0.960 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 -6.310 2.772 -6.699 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 22.800 20.465 -5.054 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 -18.144 -1.489 -15.623 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 -1.883 6.675 -0.105 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 -2.974 -23.676 -20.613 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 -8.762 38.956 30.957 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 -0.490 -5.678 5.461 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 -11.781 -5.875 -21.115 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 -11.092 12.877 4.963 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 -4.903 1.094 1.168 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 4.001 1.198 -7.987 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 2.149 -2.053 12.492 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 4.191 -2.241 -1.461 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 -5.502 -8.095 4.064 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 22.844 -8.252 -2.879 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 7.844 0.955 -10.152 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 9.359 -7.174 15.410 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 -2.736 -8.668 -9.851 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 -3.444 -7.082 5.039 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 6.346 -0.534 18.977 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 8.080 7.361 1.528 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 7.746 -3.941 -0.857 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 -6.381 -21.140 -5.567 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 18.808 -7.083 -7.185 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 1.705 -0.353 -1.509 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 -5.298 -6.694 -1.987 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 6.226 12.526 4.417 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 0.031 -3.273 0.075 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 1.669 3.190 -11.027 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 6.026 -3.988 8.166 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 7.576 0.529 -6.458 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 29.375 -11.763 4.948 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 0.944 0.652 -9.020 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 3.884 -3.628 -1.091 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 -0.601 24.128 -8.299 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 13.076 -36.855 -45.828 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 -0.199 -0.111 -3.431 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 2.206 11.371 -0.002 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 -5.509 -4.158 9.799 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 -2.436 -2.531 -5.297 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 -5.449 -2.895 -9.849 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 18.504 -15.741 -0.407 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 0.533 6.559 2.726 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 -11.971 1.249 4.131 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 -5.747 -0.743 -1.130 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 1.782 2.274 0.602 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 -7.973 -7.758 10.372 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 10.642 -1.056 12.790 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 -1.582 -0.191 0.571 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 -14.002 41.665 -10.277 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 -3.651 14.652 1.869 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 2.047 -5.188 -2.010 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 -9.721 -20.634 17.468 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 -7.051 -21.098 -8.353 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 -5.193 -3.420 5.874 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 -3.244 -0.826 -23.327 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 -2.071 -0.393 6.623 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 2.385 -5.924 -0.836 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 22.923 18.980 1.983 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 6.303 9.276 1.130 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 -0.162 1.391 4.109 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 -1.113 25.385 -5.653 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 -4.175 1.564 5.020 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 1.842 1.558 0.485 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 -5.207 7.672 13.307 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 -6.799 9.870 18.608 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 -2.078 6.913 5.512 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 -5.315 -9.904 -4.345 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 22.032 -26.606 4.526 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 -0.650 -1.085 -2.956 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 -1.786 1.410 16.843 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 -2.515 -11.485 -4.731 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 5.902 2.859 8.029 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 -9.137 -17.886 -18.404 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 -4.321 -10.991 -5.956 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 -6.753 1.524 3.418 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 4.567 -5.902 -21.347 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 -6.682 -17.184 7.040 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 7.190 -3.670 3.503 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 -31.290 21.360 -0.196 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 -16.384 -17.457 16.362 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 -1.495 7.243 -0.028 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 -10.017 6.712 24.803 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 -5.661 22.843 9.052 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 3.949 0.827 8.066 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 8.238 -22.116 1.883 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 12.780 5.182 10.967 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 0.948 0.649 5.645 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 8.376 -0.891 14.667 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 -1.889 5.181 16.102 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 -0.396 -6.470 -1.476 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 -12.938 -16.647 -6.728 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 9.685 7.637 0.879 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 -0.642 4.459 -5.866 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 -21.289 7.688 -8.684 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 -4.729 18.747 5.900 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 -4.580 -2.952 -1.074 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 30.192 9.872 -17.241 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 12.940 16.627 -11.817 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 2.030 0.488 -3.323 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 6.246 4.867 6.498 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 3.351 15.584 -6.402 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 -3.868 0.401 3.798 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 10.258 11.816 8.390 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 -0.093 4.421 5.307 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 2.366 -0.324 -4.962 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 4.399 -5.821 -8.808 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 5.867 11.159 5.214 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 0.561 2.136 7.863 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 -2.870 0.307 9.440 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 -7.545 -3.894 9.542 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 4.121 4.667 6.099 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 5.806 3.246 15.109 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 13.479 -2.110 1.420 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 1.880 -0.891 4.372 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 10.166 -15.195 -25.229 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 -6.036 13.810 32.546 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 0.999 4.438 -0.201 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 6.702 1.397 16.030 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 -0.027 3.309 0.296 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 7.255 -4.947 10.225 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 -1.662 -26.030 2.356 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 4.108 -10.864 10.985 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 -2.798 -1.501 5.558 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 0.391 4.844 14.369 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 -6.678 -15.077 -12.297 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 -2.467 -0.497 1.203 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 4.372 -4.618 5.173 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 -11.420 23.052 11.985 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 -2.548 -2.266 -0.273 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 -41.068 -11.443 -28.088 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 -16.522 1.503 36.194 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 -5.164 -1.610 2.633 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 -7.945 4.525 22.236 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 -6.556 2.124 14.792 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 4.420 -2.569 1.195 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 -3.966 12.179 -5.230 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 -3.681 12.341 10.379 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 -7.100 13.010 -1.602 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 -19.394 32.201 15.924 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 7.483 -10.142 -36.658 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 -3.773 -2.276 -3.424 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 1.917 3.023 -12.634 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 -5.860 -5.289 2.400 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 2.336 3.527 -2.748 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 0.263 3.330 -12.928 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 10.571 -3.120 7.248 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 1.745 -0.713 -0.086 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 -5.501 -14.408 10.910 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 11.122 22.963 -13.700 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 -4.381 3.267 -1.188 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 -1.370 14.821 -1.932 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 -5.720 -6.103 -0.323 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 -2.949 -0.077 -10.346 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 4.156 0.180 -7.103 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 9.781 -14.226 2.812 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 2.365 2.495 -0.726 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 11.024 8.848 12.678 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 8.866 -7.820 -4.192 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 -0.432 6.226 2.001 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 8.929 12.764 -9.509 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 -2.369 4.307 5.308 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 5.884 -2.130 -6.555 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 0.341 -2.002 0.823 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 12.808 20.605 -12.107 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 -7.111 -8.104 0.958 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 -8.329 -6.098 -12.894 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 -19.803 4.932 7.846 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 -4.889 -3.196 -12.022 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 -19.220 -0.248 -9.276 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 5.506 4.187 -1.064 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 0.879 -4.578 -0.935 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 -5.212 -8.107 1.439 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 8.476 -12.011 -4.632 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 2.744 -2.681 0.949 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 -15.823 -6.486 -4.572 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 -25.821 3.954 -4.830 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 4.504 1.452 4.022 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 -21.028 -28.732 -14.014 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 15.354 26.276 -3.719 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 5.341 1.282 -3.116 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 2.996 -3.649 -4.468 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 1.785 -8.138 6.470 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 -8.055 -7.500 0.482 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 -8.956 -6.301 -6.679 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 -10.999 -1.854 -22.001 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 -0.274 -5.795 6.635 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 1.245 8.227 0.536 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 -9.922 -7.644 2.050 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 -1.862 -11.010 2.197 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 18.458 5.467 8.458 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 -14.549 -2.779 13.525 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 0.974 4.592 3.963 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 3.792 1.664 -0.275 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 -2.128 1.236 4.628 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 -5.012 -1.680 4.143 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 -3.158 -21.988 -2.409 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 -4.834 4.439 -4.539 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 -1.375 -3.737 -5.103 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 8.037 -8.763 -7.600 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 -5.876 -10.808 -0.925 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 0.346 2.455 9.956 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 -2.061 -11.693 -9.922 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 -4.388 -4.446 -6.730 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 -0.031 4.911 0.816 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 -29.118 -12.881 -4.320 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 16.685 0.679 -25.617 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 -0.222 -4.953 0.352 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 -6.912 -10.566 -0.518 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 5.314 -3.995 -0.624 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 -3.912 1.863 -4.149 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 19.950 -5.678 -23.026 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 -0.999 -5.419 -21.469 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 -1.431 1.708 1.193 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 8.471 20.696 -6.678 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 -0.913 -21.643 11.154 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 7.222 -6.582 6.079 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 -7.320 10.246 19.149 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 16.778 7.968 3.260 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 15.462 5.517 -4.465 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 12.087 8.873 -5.084 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 19.442 -3.046 -10.748 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 0.937 4.710 -4.921 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 2.377 -10.390 -1.343 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 4.919 -31.211 16.740 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 -5.277 1.269 0.436 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 -0.939 -3.407 12.171 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 11.881 -2.732 2.101 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 1.119 -3.051 -0.696 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 -5.799 -4.132 22.790 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 7.575 -25.400 -6.241 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 7.111 -4.307 2.415 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 -3.560 -10.848 -2.635 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 -4.835 -10.278 0.131 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 3.640 5.449 0.922 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 2.722 6.936 2.563 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 -0.865 9.926 14.556 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 -3.396 -6.794 -3.693 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 -18.751 -4.470 15.575 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 16.470 6.480 -2.574 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 0.907 -3.300 -1.761 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 5.219 -2.863 5.135 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 13.098 -15.876 3.229 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 -1.567 -0.092 0.876 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 0.304 -3.116 12.753 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 6.088 -2.692 38.834 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 -3.751 -2.532 0.557 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 -8.133 3.317 -25.686 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 5.735 16.398 -9.835 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 -1.318 -3.766 4.399 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 -10.363 2.778 5.249 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 -5.433 -5.540 9.743 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 -3.396 -1.587 4.348 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 -20.815 -3.517 -9.459 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 -17.472 9.907 11.051 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 5.193 -4.219 3.088 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 20.166 9.144 -6.144 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 10.986 -0.633 14.831 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 0.779 0.771 1.037 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 -0.192 -13.827 14.078 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 -0.942 -17.852 -7.192 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 -5.723 2.100 -4.495 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 -10.990 3.054 -4.978 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 23.800 11.798 -6.238 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 -1.268 4.107 3.768 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 9.581 6.221 18.184 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 -13.552 2.210 -14.359 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 -0.849 6.907 3.675 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 10.108 14.869 13.742 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 -9.399 7.405 -8.090 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 2.512 -3.366 -9.227 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 -25.361 -28.851 1.689 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 -1.738 4.945 13.859 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 -3.520 1.538 2.412 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 -24.471 22.717 -3.166 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 17.616 4.727 5.743 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 6.923 3.720 0.349 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 -6.797 -13.701 -10.467 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 -6.541 -8.207 -7.921 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 -4.310 3.877 -0.785 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 -12.249 12.139 12.789 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 -3.449 -7.452 -1.033 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 4.904 -4.258 -3.273 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 -18.488 -1.595 -8.137 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 12.116 15.402 1.298 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 -3.479 -0.428 5.231 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 -13.881 1.866 -5.503 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 -6.644 11.456 15.840 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 4.185 3.768 -3.375 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 -0.867 -2.257 -7.791 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 -2.002 -7.095 -1.899 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 2.176 2.517 4.904 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 2.180 -23.786 26.728 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 5.585 7.293 -22.645 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 -4.411 5.163 0.676 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 -0.283 3.619 1.578 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 1.100 -7.346 5.175 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 3.944 -8.077 -3.135 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 -0.941 -9.289 11.603 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 -7.412 -11.135 -13.983 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 2.024 -0.554 -2.902 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 5.523 4.487 1.811 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 -5.579 -5.005 -7.055 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 5.912 -1.751 4.492 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 8.138 2.394 -19.335 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 -1.302 -1.935 -2.920 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 -1.404 -2.147 -3.525 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 14.743 10.175 10.865 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 -3.452 -4.215 -29.736 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 8.125 -5.228 0.596 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 -5.460 -2.510 -5.543 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 19.593 -16.729 1.630 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 -0.537 6.081 1.973 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 -19.684 -14.881 -12.432 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 -2.661 16.338 -9.485 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 -1.248 -0.644 -2.606 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 0.213 35.599 3.608 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 2.737 -20.236 -13.016 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 -6.088 -0.851 -0.354 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 -7.950 6.273 1.070 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 -29.317 13.000 0.933 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 8.284 -3.133 -0.757 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 6.608 3.060 -47.286 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 4.446 -0.268 -12.253 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 0.668 -5.665 -1.579 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 1.795 -6.863 -4.368 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 -7.207 -1.471 22.921 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 -3.880 5.291 5.201 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 -31.674 -12.299 -5.075 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 20.505 12.417 4.301 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 -2.620 -0.417 -1.076 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 7.513 8.987 -23.895 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 -3.181 14.373 20.318 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 1.136 -0.947 9.843 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 3.215 -4.375 -5.387 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 -12.212 4.956 33.411 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 1.401 -1.273 -3.237 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 10.081 -13.971 -2.617 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 3.168 -3.883 -3.027 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 2.070 5.991 0.079 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 -0.833 -2.136 3.737 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 -4.438 17.517 5.744 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 -2.460 7.125 0.896 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 -21.631 25.110 -9.417 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 -11.772 -17.928 -10.043 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 3.459 -1.367 1.105 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 6.964 -7.871 2.893 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 15.111 4.229 -7.766 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 0.369 -3.270 -12.179 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 1.240 -7.045 -13.667 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 -1.360 -12.774 -20.220 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 -3.962 5.580 2.494 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 6.961 12.108 -26.808 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 7.704 7.340 18.989 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 2.991 3.612 1.183 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 -0.249 -8.145 -3.356 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 -0.359 1.509 -0.396 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 0.626 5.043 4.637 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 6.369 15.023 -12.749 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 6.801 6.609 7.344 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 -1.334 -2.409 -4.937 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 3.531 -7.622 9.072 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 6.884 2.755 -0.144 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 0.884 0.806 -8.047 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 -1.340 -5.681 -1.168 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 4.912 -4.303 -4.812 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 4.705 -3.212 3.066 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 -4.498 1.136 -1.653 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 2.621 1.368 -2.270 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 -1.490 -6.351 0.837 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 -1.677 -1.376 1.185 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 -4.158 -0.248 5.292 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 -6.455 -2.331 0.401 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 -1.865 -0.076 3.247 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 0.721 -0.739 -2.429 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 7.741 2.229 0.507 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 -2.046 -6.699 0.672 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 -1.814 -1.672 4.742 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 3.473 1.225 -2.097 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 -1.311 2.148 3.436 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 1.494 -2.072 -0.207 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 -2.099 -9.591 -0.717 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 2.621 11.872 -1.158 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 6.818 -0.872 1.106 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 7.355 1.734 -7.316 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 -1.733 3.224 -4.734 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 -1.707 -1.485 -4.431 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 1.113 -4.329 2.994 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 1.512 3.556 -1.327 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 5.468 0.752 -5.836 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 -0.033 3.388 -3.049 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 -4.220 0.826 2.150 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 -0.466 4.652 -4.025 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 -0.226 2.744 -1.693 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 -7.073 0.792 0.261 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 5.024 -1.006 -1.041 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 -5.709 -1.013 4.813 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 0.486 8.583 -4.910 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 -3.946 -6.588 4.435 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 -3.342 -2.610 6.567 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 -4.028 -5.090 1.953 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 2.309 -1.744 4.716 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 -9.328 -1.236 -0.271 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 6.789 -2.701 0.479 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 8.948 2.914 3.918 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 -0.510 0.874 3.487 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 1.145 0.556 1.110 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 -5.292 -1.568 3.825 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 -4.948 -0.241 7.321 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 0.484 -3.953 0.447 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 -4.510 -4.278 -2.131 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 3.956 4.651 4.087 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 -3.855 2.419 -0.998 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 5.560 -2.708 0.832 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 0.153 3.588 -1.858 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 1.344 -3.133 0.296 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 1.881 -1.331 -5.781 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 1.096 0.148 0.971 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 -5.961 2.863 0.214 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 -0.027 2.459 -2.037 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 3.312 -2.409 6.343 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 0.099 -3.475 -1.463 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 -1.694 -3.829 4.519 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 -0.757 0.097 -0.192 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 0.459 6.189 -0.904 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 6.105 -4.356 -2.887 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 -4.282 -1.023 5.086 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 0.717 1.600 7.287 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 -1.619 -4.525 -2.140 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 3.540 2.412 -3.213 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 -1.792 2.999 0.661 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 1.974 1.085 1.145 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 -2.118 4.677 -1.112 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 -3.303 -2.213 1.423 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 2.064 0.057 -0.884 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 -3.585 1.484 -1.299 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 2.656 -4.066 1.585 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 0.099 -5.466 -2.247 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 3.921 -6.686 -1.309 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 -1.334 -1.237 0.352 1.00 0.00 ION NA END