REMARK FINAL VELOCITIES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 14.034 -16.071 24.537 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 -2.349 1.245 4.178 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 -3.591 -0.468 -6.503 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 -3.459 -0.942 -4.425 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 -7.113 12.133 2.868 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 4.555 3.940 5.637 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 -6.431 14.880 18.206 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 3.519 -0.153 4.433 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 1.823 -2.871 -1.914 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 5.622 -7.632 -2.820 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 2.300 -2.254 1.823 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 -0.329 3.686 -6.057 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 -3.064 3.217 -29.784 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 -4.013 -2.517 -4.489 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 -11.388 -5.065 -11.764 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 2.893 -4.080 -8.742 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 -2.457 -2.792 0.619 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 -6.778 3.176 -22.984 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 -14.118 7.966 11.316 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 -6.977 -3.343 2.574 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 1.273 6.232 -0.322 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 3.478 1.997 -0.351 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 -4.883 2.651 -1.126 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 6.279 -22.725 -24.547 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 1.565 3.076 -3.067 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 -18.380 -10.152 14.681 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 -6.536 1.561 -1.044 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 -16.352 -3.143 11.870 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 -2.116 9.095 4.350 1.00 0.00 SBOX O ATOM 30 P ADE A 9 3.192 2.058 -0.470 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 2.961 4.600 0.731 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 9.370 -4.509 -1.493 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 -1.665 -4.374 3.690 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 1.996 1.217 -3.157 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 17.727 11.122 -18.509 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 7.804 -7.214 7.244 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 3.668 -6.108 5.754 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 15.854 -36.833 18.047 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 0.881 -4.273 0.794 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 4.245 6.577 -2.751 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 -8.295 -25.180 -2.912 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 5.203 -0.671 3.561 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 4.411 1.267 6.148 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 -1.610 12.254 -11.481 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 -0.112 0.327 -3.399 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 1.001 1.726 4.272 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 0.512 -2.164 -1.838 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 -3.221 -5.658 2.715 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 4.226 -12.392 15.645 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 4.667 0.665 -1.831 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 -4.111 5.361 2.716 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 0.195 -3.396 0.955 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 3.512 21.224 -10.788 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 -4.021 1.599 -8.634 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 -2.577 -1.505 2.422 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 -5.244 1.276 -3.998 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 -2.792 -6.612 3.886 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 -1.997 -3.255 3.651 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 -5.683 7.261 4.980 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 -1.184 2.201 -1.209 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 1.108 -3.786 -11.459 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 -1.596 5.309 0.721 1.00 0.00 SBOX O ATOM 63 P ADE A 10 -2.481 -1.861 5.902 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 1.047 1.295 -2.547 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 4.997 7.565 1.008 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 -0.291 -4.612 2.467 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 6.683 -2.568 5.325 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 -7.845 6.007 -3.745 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 7.233 -15.064 -1.642 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 3.650 -2.531 3.138 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 3.685 6.531 -22.733 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 3.944 -6.686 3.345 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 -1.062 9.055 8.506 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 -0.581 -0.301 10.416 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 2.204 -3.310 5.755 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 -6.584 -7.883 1.994 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 -3.483 -9.911 4.544 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 -1.865 3.140 4.590 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 -0.247 -3.250 -0.847 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 -2.816 -4.467 -0.366 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 -3.452 12.785 0.852 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 -0.384 -1.276 9.906 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 -15.168 4.467 -6.488 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 6.807 -5.664 -4.442 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 -0.294 -8.696 0.278 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 -0.760 17.018 -34.010 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 -5.620 -2.656 3.548 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 3.710 2.053 -1.415 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 -7.443 -4.802 0.159 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 -2.461 -11.022 13.613 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 2.907 0.621 -9.632 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 18.558 -10.552 20.937 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 2.591 -0.532 -3.347 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 2.698 -4.904 5.029 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 -4.544 1.608 -0.214 1.00 0.00 SBOX O ATOM 96 P GUA A 11 0.528 1.182 2.243 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 -2.736 -4.902 9.446 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 5.739 -4.392 -4.794 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 -3.084 -5.013 -0.234 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 -1.987 1.706 9.296 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 -3.252 4.031 10.422 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 -2.823 -12.362 1.560 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 -0.299 -6.181 0.284 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 -3.734 -15.190 7.481 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 5.293 -3.206 3.134 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 -1.396 -0.535 -5.371 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 -7.589 13.828 -12.857 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 2.879 6.565 2.459 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 -1.280 -2.452 5.095 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 14.524 27.686 -16.643 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 0.275 -0.409 4.910 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 0.915 3.260 -5.560 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 5.258 1.372 1.223 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 1.660 -3.829 0.793 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 -0.563 2.044 -1.082 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 3.393 -6.057 -11.510 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 -2.089 3.928 -2.915 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 -5.667 3.779 0.988 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 -2.800 14.150 -5.358 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 -12.901 1.562 -10.634 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 1.211 -2.281 -2.378 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 -1.667 -13.328 5.018 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 -8.300 0.022 -12.207 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 22.999 19.670 3.711 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 7.171 -2.408 -3.055 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 13.299 -15.828 2.625 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 0.694 -4.180 8.612 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 24.598 -13.387 -19.432 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 -1.739 3.186 4.458 1.00 0.00 SBOX O ATOM 130 P ADE A 12 1.653 -1.878 6.225 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 -0.483 2.319 6.356 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 -0.824 -1.054 4.894 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 -8.376 2.708 12.112 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 -0.723 10.862 -7.061 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 18.036 -8.401 -1.274 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 -15.447 14.717 13.823 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 -7.615 5.231 -3.529 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 5.440 4.435 4.112 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 2.764 -0.849 4.569 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 10.282 -1.720 11.011 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 9.723 7.935 4.733 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 -5.638 1.023 4.793 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 9.967 -6.546 -0.943 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 -19.278 11.878 25.252 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 -2.133 1.339 5.522 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 -1.285 1.884 7.663 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 7.643 -4.050 1.002 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 -4.699 8.252 -0.399 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 -25.822 -6.278 11.447 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 -6.368 29.227 -11.256 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 -1.040 -3.333 3.447 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 -6.444 -1.870 5.809 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 -2.034 11.172 -0.555 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 12.947 1.417 -4.145 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 2.637 -0.582 -6.896 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 -5.728 -2.967 4.681 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 9.504 -3.289 1.340 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 4.935 6.662 4.012 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 -16.674 -8.658 -2.630 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 -5.221 -1.846 5.774 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 2.679 8.085 -12.358 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 0.802 10.401 -3.397 1.00 0.00 SBOX O ATOM 163 P GUA A 13 -1.118 1.026 0.756 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 -2.581 3.121 3.426 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 2.221 1.873 0.559 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 1.247 0.247 -5.247 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 1.438 0.798 -6.916 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 -12.611 -26.322 8.993 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 -5.363 -7.792 -15.208 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 -1.019 7.793 2.514 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 9.315 15.940 -8.926 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 -3.556 3.410 -0.013 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 -6.325 0.070 -5.249 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 -33.385 -13.790 23.479 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 -0.225 6.096 -4.969 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 -2.160 1.982 3.272 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 2.010 5.945 -22.048 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 7.437 -2.333 7.680 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 0.637 7.019 -3.057 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 1.147 -2.499 3.136 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 -2.470 -0.402 0.981 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 -1.832 5.947 6.786 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 -5.427 7.351 14.450 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 8.341 -3.931 2.545 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 -5.918 3.119 -2.661 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 -2.132 -4.186 -0.396 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 -3.678 28.869 17.190 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 -1.939 0.879 0.687 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 4.496 -8.647 -2.853 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 -7.286 0.801 -4.413 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 -4.564 3.819 5.437 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 -0.424 2.524 1.684 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 -7.689 -9.489 -24.632 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 7.123 1.504 2.287 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 23.552 -1.710 4.724 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 1.741 2.117 5.147 1.00 0.00 SBOX O ATOM 197 P ADE A 14 1.504 1.902 1.675 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 -8.749 -0.663 -6.060 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 5.968 -5.689 -4.485 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 0.551 0.800 -2.363 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 -1.901 4.007 -3.413 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 -9.735 -7.802 29.721 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 8.105 -0.436 -6.875 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 -0.530 -3.634 6.846 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 -1.054 0.699 -1.788 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 6.268 4.337 8.105 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 -1.421 -5.487 -4.261 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 -20.100 -2.643 -9.405 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 -0.378 -3.323 -2.154 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 1.562 -3.053 -6.833 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 0.902 8.140 -2.888 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 4.441 -2.578 4.256 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 -0.574 4.407 1.368 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 8.556 -4.035 -4.475 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 3.158 2.340 0.984 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 17.370 12.090 -13.655 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 4.256 0.717 -0.889 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 0.531 -1.944 -3.480 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 -7.056 -4.266 2.704 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 -13.620 -23.602 -17.129 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 -3.338 2.883 -0.522 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 -3.102 3.134 -2.207 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 -3.135 -2.366 -1.071 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 0.280 -13.123 -0.095 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 0.032 -1.352 1.213 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 -3.534 -18.205 -16.352 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 -3.282 4.237 4.821 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 -2.972 5.921 -13.714 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 -2.602 5.468 -3.651 1.00 0.00 SBOX O ATOM 230 P GUA A 15 0.713 5.239 6.988 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 0.645 -2.227 2.256 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 -0.817 -2.339 0.466 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 2.802 0.042 3.734 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 -10.033 9.256 -3.727 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 10.746 -6.539 -2.488 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 -19.872 4.971 7.400 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 -3.584 -3.586 0.891 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 -3.558 -3.670 0.757 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 -3.008 6.602 -4.761 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 0.248 -2.130 -2.635 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 6.381 10.056 -12.254 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 1.387 -8.315 -4.311 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 5.182 -3.321 -8.018 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 -20.519 -0.273 13.434 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 0.922 1.721 4.480 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 -7.028 6.535 1.063 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 3.062 1.074 -0.774 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 -2.016 3.238 -3.921 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 2.128 -1.304 7.390 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 7.376 -15.415 1.279 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 1.859 -0.727 -2.250 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 4.124 1.519 -1.956 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 -3.791 -15.217 4.322 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 -0.074 3.096 3.551 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 4.669 -2.481 7.961 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 -5.010 -0.804 -7.381 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 2.727 1.178 4.496 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 -0.344 3.258 -18.865 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 5.325 1.154 1.014 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 1.858 -11.673 5.416 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 6.446 3.910 0.128 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 -3.596 11.827 -1.512 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 -1.072 -3.692 -1.738 1.00 0.00 SBOX O ATOM 264 P GUA A 16 -1.020 -4.532 1.119 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 -0.072 0.123 0.910 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 0.522 -1.712 -3.702 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 4.163 0.867 4.043 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 4.846 7.474 -5.838 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 -20.786 40.818 8.824 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 25.251 14.551 25.090 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 -1.786 -5.230 -6.263 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 14.840 -1.079 -1.908 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 7.016 -3.026 -5.227 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 -0.250 -2.835 0.185 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 -7.616 17.232 -10.647 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 0.274 3.846 -2.382 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 -1.115 -2.430 1.361 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 6.816 -14.663 -10.233 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 0.765 0.236 -2.981 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 -0.121 2.360 4.001 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 2.728 -2.788 -5.473 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 1.017 0.056 1.318 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 -0.819 -3.811 -1.841 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 31.187 0.519 -28.901 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 0.616 -6.089 -1.523 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 2.732 -4.025 -6.654 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 -10.370 -20.933 -16.469 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 15.107 -9.386 -11.046 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 3.415 -0.327 -7.032 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 -1.435 -2.569 -3.768 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 -4.352 2.321 -3.627 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 1.167 7.939 -12.891 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 4.076 -2.965 3.681 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 13.967 3.748 -7.970 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 -5.154 0.559 4.416 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 -1.796 7.203 3.778 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 1.080 1.228 -0.578 1.00 0.00 SBOX O ATOM 298 P URA A 17 4.204 0.126 0.280 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 6.099 6.045 1.334 1.00 0.00 SBOX ATOM 300 O2P URA A 17 -6.551 -0.476 -0.246 1.00 0.00 SBOX ATOM 301 O5' URA A 17 -0.432 5.368 1.700 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 -7.075 3.298 4.766 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 -8.078 10.956 -8.579 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 -18.801 7.038 -4.350 1.00 0.00 SBOX ATOM 305 C4' URA A 17 7.938 -2.376 0.938 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 -8.547 5.516 9.830 1.00 0.00 SBOX ATOM 307 O4' URA A 17 1.510 2.308 -4.165 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 0.573 3.394 -5.023 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 -9.814 -23.275 1.742 1.00 0.00 SBOX ATOM 310 N1 URA A 17 2.421 0.847 -2.813 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 6.762 -4.026 -2.244 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 -6.256 -0.520 8.097 1.00 0.00 SBOX ATOM 313 C5 URA A 17 3.434 6.008 -8.306 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 1.924 -5.088 -4.791 1.00 0.00 SBOX ATOM 315 C4 URA A 17 -3.441 -2.108 -4.182 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 -7.830 -4.105 1.073 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 -1.987 0.632 -2.343 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 7.174 -7.875 -20.974 1.00 0.00 SBOX ATOM 319 C2 URA A 17 -3.565 -0.800 -2.398 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 5.662 -3.571 -0.207 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 3.652 7.892 7.867 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 11.471 2.361 5.779 1.00 0.00 SBOX ATOM 323 C2' URA A 17 -8.999 -2.547 -4.218 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 11.052 2.868 -5.850 1.00 0.00 SBOX ATOM 325 O2' URA A 17 -2.487 -6.045 5.405 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 11.830 -5.426 -13.154 1.00 0.00 SBOX ATOM 327 O3' URA A 17 0.712 -0.589 3.887 1.00 0.00 SBOX O ATOM 328 P GUA A 18 -3.110 -0.856 -0.861 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 -3.632 3.276 0.185 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 -4.595 -11.610 2.977 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 -4.692 4.582 -2.789 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 3.523 -0.637 3.090 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 -2.942 7.829 -2.058 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 -10.572 18.487 -15.241 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 -4.962 -0.776 9.167 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 -3.040 7.291 9.246 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 2.752 6.207 -2.355 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 4.698 -8.796 -2.651 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 -28.183 -1.618 -6.478 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 -1.778 -1.975 0.622 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 -4.121 0.769 3.270 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 14.151 -7.459 4.213 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 -0.936 11.957 -0.607 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 0.757 -2.853 1.259 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 3.393 3.094 -5.112 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 -5.851 1.952 1.578 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 -0.723 -0.461 -3.805 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 1.090 -13.039 19.812 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 -0.357 2.534 2.585 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 1.430 -4.442 -1.594 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 0.751 -10.957 7.559 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 5.299 12.941 7.187 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 -2.454 -0.486 0.358 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 2.012 -3.393 1.163 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 1.752 7.757 -4.895 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 6.691 -12.013 -14.949 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 -4.737 1.216 3.926 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 24.776 21.839 -21.203 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 2.278 6.303 -5.366 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 11.390 -4.809 20.887 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 1.304 -2.772 -5.414 1.00 0.00 SBOX O ATOM 362 P GUA A 19 1.177 -3.283 -2.089 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 4.034 0.481 -2.659 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 7.193 -0.262 1.463 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 -4.329 -3.875 3.828 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 -4.836 2.595 -3.661 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 -1.887 11.445 -0.438 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 4.888 8.311 -8.117 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 9.050 -5.068 -3.417 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 -3.151 -26.622 -7.499 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 -0.513 -5.666 -5.907 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 -1.824 2.042 -0.899 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 -33.307 33.197 -4.763 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 6.540 2.701 -2.837 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 -3.504 4.726 -1.273 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 4.525 -15.488 6.079 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 -2.699 -4.257 -0.044 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 -4.187 1.472 -0.526 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 4.548 -3.425 1.502 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 3.570 5.514 3.463 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 2.540 3.655 -5.357 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 2.103 0.874 6.528 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 -0.406 -0.790 -3.395 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 -5.199 3.062 -8.068 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 -5.073 12.770 -9.037 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 -11.341 -4.947 -22.100 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 -6.277 -0.022 3.140 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 -4.553 2.326 -2.621 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 -1.574 -4.342 10.218 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 -11.103 16.555 28.053 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 6.254 4.245 -3.976 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 -3.470 -12.731 10.691 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 -9.197 3.116 -1.490 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 8.278 13.902 -15.128 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 5.545 3.844 7.143 1.00 0.00 SBOX O ATOM 396 P ADE A 20 -2.239 1.250 2.031 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 -2.155 -5.011 -2.307 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 2.490 -4.985 -2.496 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 1.428 -9.620 2.582 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 7.875 7.007 -2.477 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 7.881 -4.215 6.666 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 6.020 10.977 -8.937 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 0.651 -1.230 7.616 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 -28.017 12.874 24.666 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 1.401 0.886 6.786 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 -8.809 -3.864 1.787 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 6.792 -1.159 17.761 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 0.379 -2.114 -3.105 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 -1.083 0.431 -7.445 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 15.080 -20.062 17.856 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 1.381 -3.353 2.686 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 -0.993 -2.932 7.208 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 2.427 -0.969 2.656 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 0.470 0.435 -0.435 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 1.016 -0.298 4.105 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 -8.078 5.151 5.859 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 -0.727 -6.379 2.224 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 2.319 -0.794 0.787 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 16.786 -3.912 8.403 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 -3.384 -1.419 0.003 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 1.140 -4.363 8.276 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 1.687 -0.505 -7.568 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 -15.606 -7.111 -26.387 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 3.345 2.909 3.825 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 -30.271 5.522 6.777 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 6.097 1.283 -2.322 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 14.363 -2.531 -10.772 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 -2.906 3.934 2.132 1.00 0.00 SBOX O ATOM 429 P GUA A 21 -0.001 -1.943 5.372 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 -2.013 4.814 0.133 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 -1.027 0.292 -2.957 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 7.337 4.123 3.734 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 4.977 -10.154 1.026 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 2.324 -27.824 3.213 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 12.521 -10.132 -1.373 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 -1.216 -4.438 -0.399 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 -3.121 2.329 -10.890 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 -3.823 4.077 -3.164 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 -1.963 -5.611 -0.050 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 -19.928 -25.434 17.066 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 2.466 -0.534 -3.328 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 -3.360 -3.174 1.275 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 -6.877 12.155 13.731 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 3.697 -2.503 -1.712 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 4.629 -5.922 4.273 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 1.227 -9.416 3.672 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 -2.838 0.456 -1.786 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 -7.142 -3.544 -1.353 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 9.533 -14.192 -27.297 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 2.343 -4.993 3.948 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 0.974 0.403 -3.534 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 3.248 -4.695 6.504 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 3.721 -2.711 0.145 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 2.916 -2.041 2.724 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 5.439 -1.854 0.191 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 5.018 -10.354 2.225 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 -31.667 -14.505 -3.828 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 3.372 0.588 -3.030 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 -1.767 0.423 -32.244 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 1.231 -1.050 -1.939 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 1.410 28.735 3.844 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 1.384 3.710 3.392 1.00 0.00 SBOX O ATOM 463 P GUA A 22 1.093 -1.223 -8.002 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 -1.350 0.297 -0.528 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 7.546 3.540 -0.920 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 5.020 7.543 -1.541 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 -5.130 3.948 2.373 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 19.310 3.798 15.909 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 -5.224 1.240 1.677 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 -4.019 -0.315 -4.930 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 -15.150 0.564 -12.330 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 -3.587 3.781 -4.770 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 1.567 -0.779 -3.599 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 -8.242 -2.929 19.454 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 -5.971 -8.604 -2.089 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 -2.362 5.212 -2.410 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 6.842 -7.596 -8.974 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 0.229 1.793 1.436 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 -1.642 5.468 1.440 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 -1.150 7.346 -9.952 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 5.546 -5.759 1.881 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 -0.321 -8.096 -3.994 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 -16.535 -0.580 0.097 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 -6.788 1.805 -5.303 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 -2.118 -6.582 3.155 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 14.266 -13.398 6.103 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 -22.636 -18.942 2.030 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 -0.930 0.372 3.062 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 4.149 0.619 -3.602 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 3.242 1.252 0.271 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 -7.893 -14.277 2.275 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 0.925 9.495 2.621 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 -9.331 12.743 -4.706 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 0.632 0.483 2.831 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 -0.948 2.281 3.652 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 5.895 -0.293 -0.537 1.00 0.00 SBOX O ATOM 497 P GUA A 23 -2.752 -4.816 -2.498 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 4.673 -11.124 -2.792 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 -3.814 -6.754 -5.027 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 4.894 4.315 2.105 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 10.117 -1.591 5.097 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 13.184 -2.231 -4.171 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 6.511 5.063 5.810 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 1.679 -4.311 1.946 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 2.534 11.890 -5.987 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 -0.998 -0.094 3.376 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 -0.998 2.457 0.306 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 -11.304 -20.092 9.702 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 4.757 -2.898 -3.547 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 -9.434 1.143 -9.101 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 -10.551 -1.804 -4.987 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 2.402 10.360 2.590 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 0.996 2.929 1.077 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 -5.572 -3.352 5.320 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 -5.059 -9.330 -6.548 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 0.298 4.749 7.112 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 -2.758 15.086 -5.340 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 0.337 -1.542 -5.072 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 2.833 2.779 1.252 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 -5.618 -2.752 8.985 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 18.113 35.115 0.263 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 -1.962 -1.367 -1.268 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 -0.888 -4.318 -6.588 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 2.743 0.929 2.440 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 -0.850 5.531 -11.215 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 -3.230 1.050 -7.532 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 -7.190 -2.043 2.258 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 1.260 1.352 -1.804 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 11.073 11.308 3.206 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 4.140 -0.524 -3.077 1.00 0.00 SBOX O ATOM 531 P ADE A 24 -0.091 2.269 -6.499 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 4.183 -2.028 -1.630 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 -6.765 3.980 -1.130 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 0.311 -8.202 3.068 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 -2.540 4.076 7.074 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 -16.446 -16.728 11.552 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 13.273 -2.936 8.439 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 4.487 -5.749 -0.386 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 -2.776 -2.069 -0.459 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 -7.754 2.940 -12.088 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 6.460 0.467 -3.376 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 12.698 -18.141 0.037 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 -1.665 -3.871 0.180 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 -1.264 -8.896 -14.021 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 4.579 -0.018 -4.488 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 -4.089 -0.015 -0.032 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 -1.844 -2.671 2.629 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 0.000 -1.369 -3.996 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 1.334 -1.499 0.667 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 6.415 -3.972 -3.227 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 1.097 8.900 7.871 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 -5.055 -3.567 1.806 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 -0.289 -4.221 1.226 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 6.724 25.674 21.389 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 -4.300 -5.099 -4.871 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 9.699 1.345 2.292 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 -0.030 -3.983 -4.433 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 -16.234 3.572 -3.923 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 -1.450 2.648 -0.308 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 -11.395 0.072 -5.921 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 2.730 -0.355 1.113 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 0.078 -0.613 9.784 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 1.810 -0.497 -0.500 1.00 0.00 SBOX O ATOM 564 P CYT A 25 1.907 0.376 -0.225 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 4.804 -2.620 -3.000 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 -1.690 -4.861 -7.304 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 0.090 0.300 -0.017 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 -3.966 1.884 0.838 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 18.764 2.570 0.505 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 2.666 -8.560 11.319 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 6.871 -1.532 2.526 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 9.253 14.914 -2.119 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 4.062 -1.760 -0.407 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 2.873 -4.804 2.443 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 19.683 -7.430 -3.734 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 2.031 2.161 -6.134 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 0.218 -8.999 1.592 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 -20.013 -1.560 -7.257 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 0.165 -0.288 5.867 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 1.879 3.130 8.443 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 -1.008 3.070 4.399 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 7.200 -1.166 -6.178 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 -5.839 16.698 18.063 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 2.960 -9.968 -10.703 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 -2.527 -0.137 5.761 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 -11.532 5.354 -10.852 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 -1.818 -3.936 -2.508 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 5.750 -3.832 2.198 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 18.881 -13.643 -14.987 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 5.089 -1.673 -0.594 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 5.145 -4.678 1.894 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 -0.878 -1.079 1.055 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 10.439 -3.580 13.369 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 0.983 -7.085 2.406 1.00 0.00 SBOX O ATOM 595 P URA A 26 7.002 -3.890 -0.994 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 2.111 1.449 5.491 1.00 0.00 SBOX ATOM 597 O2P URA A 26 -4.914 -0.641 -7.829 1.00 0.00 SBOX ATOM 598 O5' URA A 26 3.392 -0.379 -1.859 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 -4.650 -7.339 5.410 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 4.862 -11.079 4.626 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 -6.901 1.990 -4.543 1.00 0.00 SBOX ATOM 602 C4' URA A 26 -1.933 -0.883 -3.199 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 0.728 15.008 31.781 1.00 0.00 SBOX ATOM 604 O4' URA A 26 0.624 -2.356 -1.764 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 7.236 1.084 -0.421 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 -14.261 -10.429 -29.192 1.00 0.00 SBOX ATOM 607 N1 URA A 26 -6.237 7.123 -2.548 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 -3.115 6.076 -2.915 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 4.713 -13.259 -15.064 1.00 0.00 SBOX ATOM 610 C5 URA A 26 3.121 -13.410 -0.468 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 0.961 -12.966 -4.769 1.00 0.00 SBOX ATOM 612 C4 URA A 26 -0.320 -1.657 -5.686 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 -1.346 -4.085 1.689 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 4.007 -0.949 -1.834 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 1.040 2.830 2.019 1.00 0.00 SBOX ATOM 616 C2 URA A 26 2.231 1.611 2.851 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 -0.449 1.225 6.282 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 -3.713 -4.953 2.343 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 5.009 1.336 5.375 1.00 0.00 SBOX ATOM 620 C2' URA A 26 2.930 0.805 -2.303 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 8.781 6.838 -6.049 1.00 0.00 SBOX ATOM 622 O2' URA A 26 5.516 3.129 -1.710 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 -5.737 20.478 16.320 1.00 0.00 SBOX ATOM 624 O3' URA A 26 2.293 2.797 -3.218 1.00 0.00 SBOX O ATOM 625 P GUA A 27 2.242 -4.332 -4.653 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 0.337 4.108 1.133 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 -3.236 0.810 2.764 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 -4.312 3.357 2.809 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 -5.060 0.223 -3.322 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 -1.557 5.466 -1.345 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 -10.320 -6.432 -4.521 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 -1.798 8.000 -1.179 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 -0.098 5.684 6.943 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 -0.950 -3.353 -0.241 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 -4.040 5.467 1.155 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 2.417 1.455 11.912 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 -2.863 -1.625 -3.244 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 2.321 6.128 0.423 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 7.445 34.875 22.599 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 5.453 -5.304 -4.794 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 -2.324 3.243 2.353 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 -3.619 2.011 -6.348 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 0.102 -1.312 4.988 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 3.979 -6.473 4.194 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 -2.203 -18.451 1.186 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 -2.356 -5.124 -1.609 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 1.491 -1.490 0.376 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 14.315 12.485 26.067 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 17.728 -2.221 0.297 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 2.997 -1.461 -3.110 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 8.890 2.438 -7.261 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 -6.662 0.551 2.009 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 -15.397 0.412 16.311 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 3.326 -3.703 5.482 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 4.677 -17.907 -14.919 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 4.739 4.195 -2.814 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 -10.613 4.015 5.871 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 2.078 5.335 2.926 1.00 0.00 SBOX O ATOM 659 P GUA A 28 1.200 4.438 3.444 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 4.517 -8.036 2.693 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 0.488 2.673 -0.267 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 -1.809 4.940 -11.582 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 2.333 4.230 9.471 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 -9.217 -14.923 15.201 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 5.519 0.250 37.093 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 1.117 -3.922 -11.389 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 -19.180 0.754 5.959 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 -2.899 2.540 2.031 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 1.337 1.807 7.771 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 -10.245 8.462 2.202 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 6.723 -9.791 -6.558 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 -3.010 -4.703 -0.091 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 7.103 -13.235 24.815 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 -2.348 -5.211 -4.848 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 -2.306 4.346 0.967 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 -3.282 6.052 -6.801 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 -9.883 4.611 -9.953 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 6.996 -6.454 14.710 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 7.279 -10.942 22.790 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 1.160 -3.894 -4.038 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 -3.882 5.028 0.628 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 -11.181 -2.439 1.951 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 3.480 -5.582 11.775 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 1.531 2.931 -2.543 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 -2.605 3.020 4.180 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 -1.464 0.855 0.041 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 -1.021 2.590 9.256 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 2.792 2.987 6.666 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 4.884 -1.391 -13.233 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 0.608 -6.837 5.387 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 -27.704 7.214 -30.271 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 -0.412 -1.524 -1.111 1.00 0.00 SBOX O ATOM 693 P CYT A 29 -0.094 -6.216 -3.003 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 -2.584 -3.112 0.431 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 4.342 6.009 -2.618 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 0.222 1.045 -4.409 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 -0.780 5.089 1.704 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 -3.481 9.602 7.327 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 -21.315 6.233 15.099 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 -6.166 2.560 -1.494 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 -4.605 -5.585 -9.448 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 1.068 -3.556 -4.383 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 -3.169 -3.327 -7.015 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 13.906 -1.886 2.265 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 4.218 0.872 -2.147 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 0.820 3.514 3.209 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 -5.317 0.016 8.811 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 -6.359 2.038 2.651 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 -7.603 -11.592 9.038 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 2.882 2.853 -1.798 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 -2.223 15.402 8.052 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 -3.126 -6.418 27.059 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 -3.553 6.872 14.624 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 -4.832 2.672 4.935 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 6.135 1.053 -4.206 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 -6.099 0.834 1.232 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 -4.310 -4.453 -2.758 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 -0.965 -20.733 -0.253 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 -1.005 -4.270 5.589 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 -17.415 0.507 3.569 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 -6.730 -0.468 -0.165 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 3.150 -6.649 4.283 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 -4.645 -2.266 -2.869 1.00 0.00 SBOX O ATOM 724 P CYT A 30 1.565 -4.352 -1.003 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 0.301 1.032 -0.329 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 -0.740 -3.947 1.970 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 -3.464 -7.081 1.132 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 0.287 0.897 -3.936 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 -29.007 5.930 10.960 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 0.016 -0.680 8.754 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 3.122 1.931 -1.816 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 -2.376 17.056 -13.030 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 1.005 0.763 3.443 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 5.925 3.054 0.739 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 -5.218 -24.440 2.233 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 2.395 7.103 -1.099 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 8.003 2.372 -3.020 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 -26.687 24.309 -5.116 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 0.781 -5.409 -2.077 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 -17.609 -20.227 -2.250 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 -2.932 0.249 0.502 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 -2.616 0.148 7.573 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 7.037 -1.338 3.844 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 3.546 4.679 8.575 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 -0.067 -6.127 -8.587 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 2.473 0.750 -0.209 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 -0.575 1.511 -3.358 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 7.969 0.842 -1.708 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 1.319 -16.120 -16.859 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 1.678 2.283 8.070 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 -3.628 6.244 -2.583 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 2.050 -0.547 1.402 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 14.405 -7.743 4.490 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 3.119 -4.744 0.968 1.00 0.00 SBOX O ATOM 755 P CYT A 31 1.271 1.054 1.690 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 -0.810 -0.489 1.817 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 2.531 1.147 -1.549 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 -2.810 -5.511 -6.770 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 5.541 2.502 6.148 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 30.141 -17.378 -3.668 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 10.561 24.852 18.076 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 1.255 -3.049 1.103 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 -3.267 -12.901 4.717 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 -1.381 4.108 -0.373 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 1.981 -4.163 7.982 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 21.001 10.579 1.540 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 2.646 -5.526 -7.766 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 0.246 0.752 -0.990 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 10.728 8.576 -30.883 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 -3.577 -4.791 2.391 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 -25.089 5.868 -9.923 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 -2.252 5.458 -0.060 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 -0.543 -0.918 0.364 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 4.505 -12.374 22.847 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 -7.989 5.471 -5.201 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 -1.882 -2.662 1.531 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 2.025 -3.019 1.303 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 -3.803 -0.140 -1.454 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 3.136 -1.655 3.607 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 -5.748 -9.118 3.164 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 2.157 -0.670 1.562 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 -7.003 -9.640 -33.685 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 -2.841 2.825 0.338 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 4.140 8.254 -14.487 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 3.921 -4.742 6.121 1.00 0.00 SBOX O ATOM 786 P GUA A 32 4.175 -0.538 1.362 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 -3.284 -2.407 3.387 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 0.521 -0.989 4.326 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 5.644 -5.874 5.612 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 2.891 -0.916 -4.724 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 -20.727 15.767 -13.440 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 -10.797 -5.422 3.639 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 -1.495 -3.767 2.812 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 -16.191 -10.656 19.111 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 -4.100 0.690 5.717 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 -0.919 1.505 2.603 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 -5.847 11.147 5.782 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 -1.026 0.849 0.297 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 8.632 0.356 6.256 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 1.487 -2.055 -16.618 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 7.812 7.505 2.940 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 0.361 -2.842 -6.735 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 -1.572 2.769 -2.654 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 1.237 -7.529 3.428 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 3.804 -2.367 4.569 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 3.685 -4.496 9.036 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 4.570 0.065 3.261 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 6.312 3.674 1.168 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 -0.835 -11.590 -6.423 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 6.307 1.736 6.867 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 5.295 -0.278 -1.961 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 -2.050 2.967 -9.465 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 -3.364 -0.351 -13.066 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 12.646 2.369 -28.619 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 -0.467 2.642 4.827 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 23.255 7.124 16.730 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 1.223 -1.862 0.541 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 -1.486 -9.403 13.826 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 -3.444 3.672 -0.488 1.00 0.00 SBOX O ATOM 820 P ADE A 33 -1.056 -0.179 1.261 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 -0.726 -2.845 -2.068 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 -3.663 -5.102 -1.695 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 5.207 -0.710 -2.007 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 2.468 -4.890 3.315 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 -0.152 -11.731 26.174 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 -8.783 0.169 0.768 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 -4.078 -2.874 -1.337 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 14.488 24.580 -1.090 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 6.864 5.086 3.153 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 -1.825 -2.548 1.059 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 27.056 -1.161 1.505 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 3.741 0.879 -2.353 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 6.872 4.336 0.955 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 -22.476 7.110 3.485 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 3.196 -6.751 -6.896 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 0.294 -0.480 -3.557 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 -8.513 -5.943 2.676 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 4.363 -2.462 3.574 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 -10.750 -16.958 -6.380 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 -16.092 10.856 -19.683 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 5.191 0.411 0.383 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 2.943 -3.682 3.803 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 15.393 -10.922 4.484 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 -1.825 3.530 -6.858 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 -0.618 0.240 -5.705 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 -4.531 1.875 4.874 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 -12.440 3.146 0.678 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 11.257 6.537 -8.496 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 1.926 1.726 -17.226 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 4.159 -3.682 4.223 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 22.478 11.390 -15.722 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 -1.472 -3.405 -3.256 1.00 0.00 SBOX O ATOM 853 P URA A 34 1.693 -2.984 0.305 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 -1.545 7.279 -1.134 1.00 0.00 SBOX ATOM 855 O2P URA A 34 3.755 -1.931 3.659 1.00 0.00 SBOX ATOM 856 O5' URA A 34 -0.865 -2.895 -5.348 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 -4.723 8.282 4.496 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 -6.437 0.837 4.215 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 -18.998 9.579 7.581 1.00 0.00 SBOX ATOM 860 C4' URA A 34 3.365 9.756 -2.908 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 14.014 6.284 2.118 1.00 0.00 SBOX ATOM 862 O4' URA A 34 2.200 6.072 -3.663 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 3.210 -3.049 -0.362 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 -3.098 -16.615 -12.315 1.00 0.00 SBOX ATOM 865 N1 URA A 34 7.336 -2.129 -0.600 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 -0.277 2.807 -1.202 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 -2.438 -6.950 12.774 1.00 0.00 SBOX ATOM 868 C5 URA A 34 6.320 0.660 -1.452 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 2.359 -2.872 -8.733 1.00 0.00 SBOX ATOM 870 C4 URA A 34 -4.036 -5.978 -2.001 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 -7.988 1.304 -2.894 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 -0.476 4.483 2.496 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 0.002 2.113 1.731 1.00 0.00 SBOX ATOM 874 C2 URA A 34 4.919 4.552 5.499 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 -2.176 -6.486 0.376 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 -3.037 -2.171 4.579 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 -0.774 -2.747 1.029 1.00 0.00 SBOX ATOM 878 C2' URA A 34 -3.481 1.509 -4.693 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 -1.792 0.878 10.359 1.00 0.00 SBOX ATOM 880 O2' URA A 34 4.725 1.268 -1.756 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 -4.843 15.636 -4.460 1.00 0.00 SBOX ATOM 882 O3' URA A 34 1.981 -3.486 -6.598 1.00 0.00 SBOX O ATOM 883 P GUA A 35 5.036 -3.021 -2.144 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 3.096 -0.605 7.581 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 -1.167 1.481 0.938 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 4.857 1.244 1.984 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 0.721 1.808 0.881 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 8.906 -10.755 8.424 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 0.997 1.095 6.740 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 2.235 0.893 -9.229 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 -0.559 3.421 -8.308 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 0.648 -3.705 4.631 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 0.751 -6.102 -1.244 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 8.899 -14.327 18.910 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 0.222 -2.066 1.171 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 -3.966 -4.619 1.500 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 -4.058 8.508 -2.817 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 -4.160 -3.105 0.004 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 -5.292 -0.405 1.752 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 -2.670 4.426 -6.228 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 -1.403 3.599 0.015 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 -2.478 0.535 0.711 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 6.890 -15.733 5.473 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 0.540 4.650 -3.222 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 -1.554 4.220 1.050 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 12.980 -20.081 -6.135 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 16.475 8.175 8.435 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 4.332 -4.412 0.634 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 -0.100 3.275 1.160 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 2.604 -4.773 0.062 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 21.328 -2.480 -10.447 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 5.590 4.784 4.076 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 6.139 8.354 -3.246 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 -5.196 -0.344 -1.358 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 -4.095 -0.585 0.445 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 0.453 -4.700 1.053 1.00 0.00 SBOX O ATOM 917 P ADE A 36 -1.024 -1.675 -2.998 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 0.228 6.726 -4.428 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 1.537 4.327 -6.582 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 -1.683 -3.066 -1.465 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 -0.992 -1.235 0.816 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 19.593 0.584 -9.285 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 7.261 10.164 8.986 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 5.194 2.702 -0.589 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 11.987 -0.927 2.104 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 1.367 1.000 1.187 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 -7.893 4.128 -2.375 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 -5.154 -1.791 12.299 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 3.668 -2.126 -6.514 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 -0.698 4.472 -3.132 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 0.265 -6.298 -2.240 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 2.415 -0.556 -0.662 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 -3.661 4.005 4.618 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 5.183 -3.737 5.737 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 -0.027 2.907 -0.401 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 11.192 -23.438 -13.910 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 19.056 -3.011 -18.716 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 -0.734 2.476 2.779 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 -0.317 1.600 4.255 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 -0.450 14.950 11.524 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 -2.457 4.389 -6.358 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 0.958 -2.038 2.624 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 -2.006 0.252 -11.014 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 -7.366 2.456 -25.466 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 -2.133 -0.091 1.543 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 15.409 -14.512 -7.082 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 -1.755 -2.488 10.865 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 -13.714 2.755 -0.438 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 7.137 4.495 -0.571 1.00 0.00 SBOX O ATOM 950 P ADE A 37 2.246 2.645 -0.586 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 -3.581 3.190 -3.747 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 1.990 5.879 -2.560 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 -2.302 -0.294 -3.215 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 2.671 0.394 -1.041 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 -9.362 10.510 -10.245 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 9.329 4.845 3.976 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 0.060 -0.100 -2.298 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 5.210 4.113 8.825 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 5.882 -1.904 -0.433 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 6.110 -1.350 -9.709 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 4.623 -7.015 -5.976 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 -6.703 -0.760 0.952 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 1.902 -0.496 -3.441 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 -1.072 3.445 -3.947 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 -3.657 -1.968 1.237 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 -0.838 2.753 -11.194 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 1.219 -5.346 0.432 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 0.859 0.784 -6.172 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 -8.828 12.033 -7.351 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 -6.662 -3.209 6.307 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 3.660 6.573 -7.681 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 0.756 0.540 -0.701 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 0.547 10.391 -3.715 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 -10.556 -1.039 -5.109 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 -2.079 4.789 1.895 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 -4.141 5.491 -4.330 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 -5.886 6.794 10.528 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 0.202 5.678 -0.395 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 5.906 -7.736 23.179 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 6.432 6.686 0.835 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 -6.382 -7.657 -13.844 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 -4.620 -2.923 -5.269 1.00 0.00 SBOX O ATOM 983 P ADE A 38 -5.214 2.718 0.102 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 -4.947 2.617 2.645 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 -2.829 -3.686 -0.320 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 -6.190 2.997 -2.748 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 -3.679 -4.502 9.617 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 2.858 2.556 10.087 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 -5.813 -18.153 6.989 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 -8.864 5.525 -2.716 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 -10.515 11.651 1.746 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 5.880 -2.639 -1.203 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 0.411 7.464 -0.098 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 -1.337 8.475 -2.981 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 -4.242 0.512 0.272 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 1.771 1.645 7.740 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 17.306 7.191 18.381 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 -5.234 -5.966 3.061 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 1.767 6.562 -7.561 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 -1.917 1.967 -7.999 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 -3.746 -4.261 -3.561 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 16.141 6.123 4.677 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 13.441 -15.414 13.586 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 5.535 3.807 -2.336 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 -4.960 7.682 -10.306 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 -10.488 12.735 -4.867 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 3.577 10.667 -6.125 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 -1.659 -4.300 2.992 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 0.200 -2.168 -6.522 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 4.774 3.727 -26.782 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 -6.585 -5.290 4.380 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 -8.026 -6.061 3.284 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 -0.901 3.423 2.154 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 -17.971 -1.008 1.476 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 0.103 -2.188 7.483 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 -0.837 -2.486 2.775 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 3.784 5.392 1.374 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 5.026 0.715 1.660 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 -1.121 -2.066 -1.396 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 4.475 6.287 3.723 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 -8.880 -5.086 -16.435 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 17.306 21.412 0.393 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 1.560 6.933 -10.399 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 -6.011 5.932 38.022 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 -0.498 4.241 4.780 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 -1.767 -5.444 -1.127 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 10.715 -8.431 7.796 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 4.964 -4.128 7.188 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 1.417 -1.241 -2.721 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 2.120 -17.740 -15.860 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 0.855 -6.144 2.859 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 -21.611 -2.500 -16.448 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 -2.320 -3.800 -5.358 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 5.142 -2.230 7.309 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 2.880 -13.764 -6.256 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 -4.432 -5.662 -31.157 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 3.005 -4.182 -3.703 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 1.361 1.544 -5.652 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 -3.325 0.055 -5.372 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 1.413 -1.381 2.545 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 0.306 -1.496 -1.242 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 -1.573 6.429 0.331 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 -1.415 -12.980 3.453 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 -3.131 -2.707 1.130 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 5.234 16.957 -6.214 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 -2.148 6.313 8.511 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 -0.123 -3.163 0.103 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 5.607 4.948 7.418 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 -1.142 -1.959 1.446 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 -4.641 4.414 -1.915 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 -4.165 -2.254 -1.162 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 -2.273 8.730 9.243 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 16.092 -17.238 11.185 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 -2.806 5.872 1.415 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 -12.142 10.052 10.112 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 3.541 8.764 -1.016 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 8.393 1.385 4.474 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 7.947 3.229 5.540 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 -3.100 -3.885 1.437 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 -0.806 -0.542 4.620 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 -3.395 -2.204 5.601 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 -0.078 -1.795 -1.694 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 -3.635 1.385 5.658 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 3.910 9.666 6.378 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 5.215 0.990 -2.962 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 13.125 1.994 -12.182 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 19.676 7.328 2.110 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 -0.899 -3.324 -3.445 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 -8.783 -4.315 -1.223 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 0.872 0.485 3.622 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 -6.094 6.501 -4.414 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 -11.582 4.340 -9.850 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 -1.891 -3.360 -4.649 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 2.542 -11.700 -2.144 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 7.179 4.671 3.010 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 10.591 30.525 -33.139 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 1.635 0.336 -1.654 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 1.500 -1.153 3.037 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 -2.345 1.601 0.058 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 0.606 2.611 -11.158 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 -1.746 6.330 2.849 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 1.464 0.101 -1.667 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 8.890 -6.857 2.799 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 3.243 -4.616 1.485 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 0.306 4.372 2.857 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 9.471 3.395 -5.384 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 -0.675 -3.419 4.815 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 -3.312 -0.978 2.902 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 16.988 24.090 8.600 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 0.083 10.342 -1.242 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 -2.375 0.929 -7.367 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 -19.349 15.545 -13.884 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 11.232 -3.788 2.028 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 -6.101 -5.528 3.493 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 1.460 3.336 -0.134 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 1.750 4.722 1.744 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 5.607 -3.958 7.835 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 18.623 13.395 3.698 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 7.673 2.109 7.680 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 -3.986 2.018 5.312 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 -0.793 4.059 0.261 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 -2.580 1.047 5.319 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 11.657 0.687 0.752 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 0.225 -8.092 -6.964 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 15.089 -20.056 -0.917 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 -0.907 3.020 -1.157 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 -3.930 18.566 10.197 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 -2.646 -3.110 -1.475 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 1.083 3.603 -2.040 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 4.401 -3.258 4.873 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 -5.639 -4.448 -1.214 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 -0.584 -4.289 5.181 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 -0.382 8.023 5.369 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 4.395 -3.748 -1.291 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 -5.362 8.444 -5.650 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 2.161 7.787 -0.091 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 -1.585 9.109 3.043 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 -3.881 4.312 -2.243 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 -0.346 1.077 4.132 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 -1.714 -1.970 5.154 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 -2.333 -0.002 -2.991 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 1.415 1.807 3.529 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 17.430 -0.990 16.847 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 2.127 -1.890 1.720 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 3.827 4.429 0.332 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 -7.660 3.570 -1.065 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 0.249 -3.182 -5.042 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 3.768 -6.017 -0.685 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 44.399 -2.223 0.882 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 7.328 1.688 -1.954 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 -5.018 1.607 -1.275 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 -32.672 -9.349 -16.844 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 4.202 2.752 -12.117 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 -3.489 4.108 -11.493 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 11.823 2.093 6.410 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 2.572 -5.098 -9.120 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 17.979 -19.736 -18.818 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 3.022 0.957 2.671 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 -13.513 8.367 9.262 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 -5.151 5.673 -1.207 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 16.083 15.179 -15.698 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 6.555 0.759 3.326 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 2.256 -1.828 2.606 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 -0.943 -4.662 5.134 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 -7.441 1.607 -6.778 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 -2.074 -4.036 5.115 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 0.794 4.935 -0.553 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 -9.958 21.057 5.693 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 2.581 28.167 -7.780 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 -4.411 5.397 -3.766 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 -15.849 -0.550 3.303 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 -2.100 -5.657 -3.855 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 -2.788 4.205 -4.668 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 6.403 10.552 -4.500 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 4.540 3.864 0.438 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 -1.833 1.076 0.979 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 -31.447 -4.137 7.779 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 8.316 -5.990 -4.310 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 4.740 -4.810 1.091 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 5.184 -4.292 3.448 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 1.064 -6.727 -1.825 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 0.247 0.002 4.082 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 -8.527 -12.825 -4.870 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 -4.405 1.717 7.643 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 -7.641 -0.540 0.329 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 7.318 8.650 -5.133 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 -17.389 20.569 -5.010 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 -0.050 -1.906 2.366 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 3.013 -8.233 -4.778 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 1.232 4.912 3.213 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 -19.932 1.324 12.507 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 1.272 1.171 4.243 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 -16.550 -9.864 1.021 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 -7.687 -4.369 -4.596 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 -1.844 -1.423 -3.700 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 -1.025 0.820 -5.834 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 -0.909 3.256 -0.301 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 0.915 -3.305 4.133 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 -3.158 -3.058 -0.606 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 1.041 1.266 0.678 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 2.801 0.873 4.810 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 0.800 7.825 5.841 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 1.374 3.091 2.506 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 -2.178 2.557 4.399 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 11.896 -2.404 2.852 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 1.506 4.177 -3.996 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 3.466 -4.919 0.888 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 13.660 13.427 -5.042 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 -6.428 -0.935 1.231 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 3.476 8.766 -3.908 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 -9.215 0.773 18.563 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 2.003 4.228 -0.446 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 -20.789 -1.313 -12.855 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 -5.162 -2.730 -3.910 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 3.751 2.428 -3.031 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 5.312 -5.637 -14.104 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 -17.836 -2.784 -9.692 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 3.875 3.451 -3.071 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 0.103 1.489 4.333 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 5.226 -0.716 0.197 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 0.367 5.048 1.751 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 19.979 16.530 -10.874 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 -8.039 -1.966 -0.094 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 0.578 -17.031 -3.236 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 7.231 -2.631 -3.861 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 17.281 13.626 2.219 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 0.801 -9.269 8.165 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 4.358 -2.539 -2.055 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 -6.635 -0.143 5.310 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 -8.351 1.016 1.092 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 8.357 0.697 -2.041 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 -2.926 -6.047 2.443 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 -4.824 22.731 -5.684 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 4.751 -21.675 1.897 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 -5.144 3.651 4.858 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 -27.072 -4.737 5.325 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 -3.474 1.333 0.016 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 -6.884 0.918 -5.008 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 -5.304 -2.218 39.591 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 2.036 -0.313 -2.221 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 1.168 2.434 0.264 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 -4.216 15.019 1.490 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 -1.954 -2.892 6.384 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 1.006 2.432 -8.403 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 -4.137 9.843 2.373 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 -0.400 -0.760 0.424 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 -8.134 3.866 5.120 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 8.519 1.510 -24.468 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 -5.654 2.456 1.079 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 6.849 6.449 1.528 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 2.465 6.251 7.390 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 1.289 -4.849 -14.206 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 -3.451 -4.111 -3.110 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 -9.723 -4.932 -0.927 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 -19.234 -20.788 19.710 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 -7.795 -7.798 3.902 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 -10.028 12.672 -10.538 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 -4.647 4.340 0.258 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 0.043 23.164 -9.121 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 1.168 -0.193 -3.748 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 1.168 -0.726 0.109 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 5.142 -0.942 3.301 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 0.976 -7.081 2.767 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 0.560 -1.723 4.081 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 0.538 0.017 7.741 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 -0.781 -12.336 9.720 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 -13.642 5.051 10.891 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 -2.285 3.487 -6.536 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 3.740 16.240 20.421 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 -2.118 -5.473 0.296 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 0.682 3.231 2.310 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 -8.439 16.706 4.398 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 -4.491 -1.915 0.048 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 -4.627 3.906 -2.353 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 -1.958 2.475 1.463 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 -1.914 1.609 -1.768 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 6.855 -9.198 -10.226 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 0.469 0.883 5.116 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 -3.612 5.194 7.135 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 -7.286 0.830 -7.376 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 10.007 -3.793 -3.800 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 -4.121 2.722 6.060 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 0.802 1.075 -2.464 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 -6.249 -23.040 36.730 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 -5.633 -2.138 -4.037 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 -5.921 1.996 3.863 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 8.060 5.386 -3.243 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 5.440 12.741 0.614 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 0.751 0.669 -7.618 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 5.089 14.307 -14.639 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 -1.953 -1.075 -3.540 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 -6.234 -9.800 -13.432 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 0.579 3.776 -1.143 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 1.370 1.857 -1.151 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 -0.454 4.139 -0.168 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 -0.048 -2.875 -0.754 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 -4.514 2.400 2.764 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 1.789 2.774 -1.687 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 -5.495 12.061 -9.466 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 17.776 -2.796 6.750 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 -5.824 -7.132 -5.733 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 -25.366 -10.344 -0.672 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 -4.496 -1.115 8.359 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 -3.912 -13.467 -2.193 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 12.548 11.324 31.823 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 -1.020 -3.671 9.928 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 -1.857 2.085 -2.879 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 3.585 -0.639 -9.191 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 -2.281 1.737 -1.012 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 -9.832 -15.824 7.672 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 -1.771 -4.304 4.123 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 3.895 -7.566 4.987 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 3.332 -7.285 6.542 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 1.736 15.130 3.789 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 5.267 -4.006 1.993 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 -1.446 5.985 -0.061 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 -4.578 -1.573 5.736 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 -0.675 0.931 -2.627 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 -11.856 -0.061 22.245 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 5.668 -2.192 1.946 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 19.831 3.956 -20.812 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 3.646 -5.051 2.256 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 -10.314 16.332 -7.663 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 8.783 -0.264 1.540 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 1.325 -2.371 6.120 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 -2.829 0.157 2.418 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 -5.986 0.462 -5.842 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 2.505 -2.006 -1.695 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 -2.535 -0.998 -1.108 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 -11.036 -7.359 2.977 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 -13.784 26.774 1.432 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 1.735 -9.052 -4.764 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 -13.749 -4.007 16.188 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 1.138 -3.762 5.675 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 3.072 0.292 1.152 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 9.097 -14.803 14.077 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 4.715 0.227 1.921 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 1.158 -9.407 -11.856 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 -6.797 2.143 21.804 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 -4.229 5.296 -4.729 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 0.697 16.749 -28.289 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 -3.499 -7.533 10.933 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 -5.515 -7.967 3.084 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 30.452 -13.586 12.923 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 7.161 -14.885 -5.196 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 -0.141 4.753 -2.484 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 -2.993 4.791 -1.106 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 3.936 3.359 -3.603 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 -6.475 6.355 6.714 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 -1.248 8.305 -3.246 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 2.702 3.404 1.048 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 4.672 6.040 -13.112 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 2.623 -2.952 0.495 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 -12.792 1.900 -19.060 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 -0.062 -1.380 -3.643 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 -3.171 6.121 1.661 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 6.563 -4.618 -1.051 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 2.396 -9.161 1.272 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 -0.452 4.810 -3.333 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 -4.603 -4.531 2.230 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 -12.237 -5.357 -14.440 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 -27.035 -19.494 -2.063 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 -6.661 -1.171 1.726 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 1.544 -6.009 -14.575 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 11.220 -3.167 2.604 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 -0.544 -1.187 0.876 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 8.292 -12.047 1.288 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 -13.776 -9.065 -2.927 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 -10.440 -1.846 -10.176 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 -14.319 -1.995 -6.350 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 -1.316 -3.409 -8.247 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 5.762 -0.046 0.379 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 6.077 0.822 2.685 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 1.470 5.334 2.322 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 -16.087 7.859 16.664 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 9.078 2.788 -4.039 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 -2.061 0.739 1.059 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 5.924 4.104 -2.843 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 4.516 6.807 -21.427 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 2.407 -4.765 5.276 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 4.461 -1.296 -3.876 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 2.862 -5.408 -2.920 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 9.102 -13.967 -24.856 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 0.931 5.099 -0.350 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 -2.386 -0.737 -5.846 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 0.456 -3.218 -5.180 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 -2.021 -15.991 -5.046 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 3.818 -0.922 -2.197 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 -4.306 -5.106 0.245 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 3.935 -0.263 -2.925 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 -2.943 -0.191 1.132 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 -0.820 3.940 -2.867 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 -0.407 -2.594 4.579 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 20.019 -20.836 16.872 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 -3.593 12.240 12.272 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 3.639 5.780 -3.274 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 -32.737 15.309 0.198 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 4.087 -3.304 3.382 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 1.410 3.514 3.756 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 -1.022 -2.520 -5.363 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 -6.118 2.500 -2.286 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 -3.959 1.314 2.414 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 22.310 14.575 -7.028 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 6.901 8.452 -9.820 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 -1.794 5.064 -4.755 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 2.852 0.225 0.306 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 -0.322 3.064 -6.003 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 -2.322 5.180 3.310 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 13.575 3.751 -8.812 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 10.388 5.997 -5.571 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 2.924 1.518 -2.844 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 18.275 -14.814 -14.726 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 -36.201 9.565 1.504 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 -2.516 -3.220 0.872 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 -3.855 -3.773 4.411 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 4.795 1.965 7.239 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 -8.925 3.709 6.590 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 5.758 -3.316 4.500 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 -2.738 8.429 9.235 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 1.854 1.111 -0.401 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 15.862 8.683 -16.722 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 3.254 2.314 1.400 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 0.411 -0.308 -1.539 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 3.351 -4.072 3.914 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 3.986 -1.191 2.490 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 2.351 3.375 4.437 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 -1.410 1.674 -6.263 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 10.403 -1.686 -9.619 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 30.324 -7.439 17.861 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 -1.341 -1.147 -1.777 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 -8.335 4.526 -3.188 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 -0.869 -0.562 7.818 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 7.257 5.605 5.909 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 7.532 4.765 8.804 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 3.219 0.794 -4.862 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 -1.118 -6.304 -2.269 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 8.139 -10.501 -13.030 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 3.276 -1.550 -2.489 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 -9.402 0.386 6.418 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 0.976 -3.504 -1.696 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 -7.441 -1.064 0.766 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 18.703 -1.591 -17.312 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 2.084 -12.245 -18.337 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 2.010 2.396 0.201 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 -2.184 5.666 2.874 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 -4.801 6.101 5.588 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 4.765 0.654 -3.297 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 2.770 -3.719 3.812 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 4.808 -2.935 2.573 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 5.560 -0.214 10.148 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 -3.324 8.005 0.030 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 -11.193 0.154 -8.838 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 8.053 9.994 3.178 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 9.327 -10.138 18.183 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 -1.516 0.813 -0.297 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 -0.169 2.677 1.145 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 -0.355 -0.339 0.627 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 3.909 4.365 -3.275 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 -8.619 8.366 3.044 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 1.905 4.938 3.800 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 -2.242 22.718 -7.306 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 5.523 -7.445 -25.558 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 -10.398 -3.069 -0.166 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 -10.668 -1.532 -7.930 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 5.481 -0.719 -0.278 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 -4.245 -2.858 -1.814 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 13.428 -8.408 22.268 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 -0.452 3.920 7.042 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 -0.939 -0.447 2.887 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 -14.280 2.919 -3.524 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 -3.534 -2.814 -0.297 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 0.199 6.786 -3.003 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 1.015 -3.515 6.084 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 1.132 2.083 5.523 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 3.657 -1.157 -30.931 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 -11.066 -3.790 9.349 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 3.653 0.984 3.846 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 0.363 -0.396 3.373 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 3.710 -0.710 -9.401 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 7.291 -0.977 -4.306 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 -1.336 -6.600 -2.459 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 -7.194 -2.533 -2.109 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 0.461 16.554 23.280 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 4.362 3.709 5.387 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 -5.542 2.153 -13.221 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 3.184 2.063 3.349 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 4.290 4.269 -15.839 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 -0.089 1.877 5.839 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 1.934 -2.459 1.955 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 -3.580 -4.573 6.787 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 1.385 1.606 -4.927 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 2.548 5.512 2.618 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 -3.664 -1.243 -0.616 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 5.595 -11.340 14.256 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 17.294 -2.865 -5.750 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 0.005 2.272 4.902 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 14.459 16.012 12.127 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 0.354 4.423 1.186 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 -1.483 -2.350 5.670 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 -4.285 -8.498 16.569 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 -1.346 -0.010 -5.691 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 -3.467 4.301 8.285 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 -3.525 10.260 1.020 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 -4.164 4.397 6.610 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 -1.958 -2.175 -6.627 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 -2.251 3.004 -4.018 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 -0.625 -7.781 -6.857 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 -4.647 -11.772 7.417 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 -16.040 -3.413 9.971 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 4.037 1.152 2.348 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 -6.015 4.349 3.044 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 -3.146 2.544 6.260 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 9.277 -0.863 2.491 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 -9.983 0.187 -0.141 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 3.624 -1.349 -7.073 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 -14.893 -11.572 -9.175 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 -3.085 -7.532 4.434 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 1.289 1.665 -30.948 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 0.520 3.888 -1.362 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 0.790 -3.672 -1.832 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 2.320 3.435 -0.361 1.00 0.00 SBOX O ATOM 1502 P URA A 54 -6.418 -7.401 -1.499 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 -1.756 0.911 4.361 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 3.358 -7.491 -1.278 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 6.684 -4.360 -3.698 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 3.245 7.131 3.646 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 -17.041 -4.508 11.730 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 -27.519 -17.097 -22.917 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 -5.324 -7.293 1.611 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 18.103 -6.740 -28.651 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 -2.012 -0.383 3.908 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 3.648 3.935 -0.548 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 21.072 13.010 -3.937 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 -0.759 0.709 -4.743 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 -1.420 -0.982 1.995 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 27.891 0.963 -13.281 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 5.370 1.265 4.940 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 -2.006 -13.033 17.163 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 -5.499 -5.775 -1.064 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 -10.923 -4.108 7.598 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 -7.147 4.238 -9.098 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 -24.703 5.197 7.006 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 0.316 0.858 9.280 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 -0.516 -5.646 -8.466 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 0.122 3.779 -1.242 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 -24.650 13.534 9.915 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 5.252 -1.184 4.309 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 11.775 -2.080 33.465 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 3.475 -2.174 1.896 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 -10.129 -8.935 9.418 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 -4.759 2.928 -0.469 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 -1.549 -7.047 6.605 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 -2.506 -0.181 0.132 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 7.456 -6.014 0.606 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 0.379 2.656 -0.204 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 -8.998 5.205 -0.389 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 -15.396 10.862 -17.046 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 2.200 2.768 11.801 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 -3.485 -7.931 -2.962 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 -5.296 -5.580 -4.214 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 -0.797 2.254 0.921 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 -4.521 -3.290 -0.425 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 5.929 2.909 0.598 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 -7.300 -1.636 0.242 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 1.027 0.524 -2.682 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 20.666 16.866 18.732 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 2.683 -4.115 -0.778 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 -2.122 3.274 4.130 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 -2.751 4.890 -0.335 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 5.806 3.840 -9.696 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 -3.405 -0.090 2.820 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 -17.081 -0.235 5.256 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 -5.288 0.194 -2.966 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 -4.412 -2.629 4.722 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 4.618 -5.587 0.197 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 -14.200 11.613 7.171 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 3.890 -2.105 4.258 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 1.794 -1.612 -10.777 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 -1.323 -1.620 3.463 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 -7.301 -5.991 11.005 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 2.199 -7.472 -5.166 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 19.570 -3.828 2.328 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 1.802 0.722 5.331 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 -2.128 -5.682 -0.265 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 -7.058 3.874 -2.432 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 -1.096 -1.701 -0.898 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 -0.336 0.465 -4.430 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 1.206 7.477 -1.438 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 -0.837 -2.928 -6.170 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 1.450 2.081 -2.140 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 -8.858 -9.703 0.970 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 0.471 9.236 12.862 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 -11.385 2.282 -1.196 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 -7.513 -15.536 -6.265 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 1.347 -1.598 -3.417 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 9.946 1.844 -5.070 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 -28.556 10.735 -0.034 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 4.476 -0.596 3.876 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 7.363 1.336 2.583 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 1.924 3.098 8.284 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 -2.012 1.317 3.869 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 -2.690 -4.698 -0.721 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 3.624 5.411 -4.264 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 -5.258 -3.604 5.397 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 0.619 -2.526 -1.490 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 -12.022 7.275 -31.384 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 2.201 -3.630 -7.703 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 -0.258 0.749 5.232 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 1.621 1.679 -11.546 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 8.613 17.857 -3.553 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 -3.223 -4.113 -0.100 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 -4.053 -6.580 -1.786 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 -2.240 -0.027 1.524 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 19.975 7.796 -10.931 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 -5.582 6.695 -4.543 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 3.864 28.388 -23.646 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 7.474 9.534 4.301 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 11.548 7.246 -9.899 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 3.109 1.312 -1.477 1.00 0.00 SBOX O ATOM 1600 P URA A 57 -3.007 -2.675 -2.655 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 -0.969 1.121 -1.318 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 7.144 5.832 -3.575 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 3.379 7.224 0.346 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 -5.407 -3.101 2.356 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 -19.633 -3.488 -4.691 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 1.864 3.601 -9.041 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 2.013 -0.364 5.157 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 19.081 5.541 -9.337 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 -3.634 0.312 -0.466 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 -3.453 1.417 9.715 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 14.671 16.665 19.309 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 2.815 2.337 -0.171 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 1.806 -3.054 4.973 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 9.531 -9.280 0.920 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 -3.678 -1.123 -4.021 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 -12.081 11.258 29.820 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 1.596 1.905 -0.212 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 1.032 0.503 -3.514 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 7.471 -1.734 11.975 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 -8.985 9.890 -0.311 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 -10.940 -2.504 -6.402 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 -1.140 1.977 -7.180 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 -5.918 -5.219 3.158 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 5.050 -28.900 -20.915 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 0.318 0.510 -1.167 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 -7.627 25.386 -21.385 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 -6.052 -0.384 -3.266 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 6.011 10.134 -1.267 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 1.293 -0.834 1.441 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 -4.425 -1.686 -0.481 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 -4.261 -3.238 -3.228 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 1.903 -1.141 2.929 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 4.376 -0.895 3.632 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 -7.724 -4.586 -0.451 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 -16.307 -7.176 0.755 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 8.641 7.731 18.360 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 -7.035 -6.293 -4.946 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 4.372 -2.412 6.241 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 1.729 -6.947 -0.675 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 0.914 -0.533 -1.028 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 -10.399 18.655 -2.579 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 -2.103 -4.394 -1.355 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 -9.783 -0.069 0.104 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 -5.937 -14.441 -8.517 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 2.668 6.048 -6.196 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 -7.279 0.936 9.235 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 0.146 1.753 -5.315 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 -1.335 2.735 -2.711 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 -0.239 1.492 -10.762 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 -4.030 5.766 12.187 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 6.443 5.850 -6.110 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 4.040 -6.306 -3.127 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 11.687 24.381 16.996 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 16.521 -5.996 8.068 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 -14.899 -2.867 -9.182 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 -6.765 4.939 2.547 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 1.539 1.873 -1.544 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 5.960 3.790 3.905 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 0.554 1.810 -5.599 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 -1.313 15.651 1.399 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 -3.552 4.186 6.373 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 5.356 -4.657 23.326 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 -5.088 0.709 -1.512 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 3.483 -2.306 -6.047 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 3.725 2.310 -9.798 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 4.943 -2.148 6.499 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 0.900 1.729 1.042 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 -2.484 1.752 0.653 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 17.115 -18.300 -3.979 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 -2.978 3.679 -1.156 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 -4.595 -2.165 -3.249 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 -10.565 1.986 -3.682 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 1.526 -2.038 3.575 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 2.416 -1.701 0.272 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 -1.922 -5.794 -13.290 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 -3.449 2.089 5.905 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 1.677 0.505 -0.132 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 -19.518 -31.270 -13.850 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 3.029 0.585 -4.676 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 -1.589 15.674 -6.534 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 7.272 2.673 11.218 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 3.992 2.250 -0.534 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 13.649 16.356 3.015 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 5.954 -4.739 0.252 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 -0.558 2.005 -4.671 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 3.450 2.722 -5.666 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 3.551 2.264 -2.696 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 -2.923 -8.509 0.600 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 -6.089 -5.647 -19.916 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 2.847 -12.723 -5.302 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 17.873 5.578 14.328 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 3.658 4.465 4.091 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 -0.754 -13.408 0.792 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 2.000 -0.445 -2.863 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 4.882 0.979 -2.884 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 0.282 0.517 0.250 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 7.709 7.540 -1.540 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 1.829 2.947 0.895 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 8.111 5.024 1.573 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 -36.038 10.915 -15.167 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 4.532 24.035 -11.742 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 4.519 -5.448 5.908 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 -4.502 13.895 3.136 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 -3.022 -2.532 0.348 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 -0.128 1.110 11.991 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 -0.561 -20.727 29.674 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 -4.318 -3.562 -2.795 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 1.119 4.999 1.373 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 4.030 6.632 -14.433 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 -6.022 4.427 -0.336 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 -5.568 19.933 5.851 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 -2.743 -0.441 -0.688 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 3.108 4.332 1.897 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 22.468 10.420 6.085 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 -6.896 -24.158 9.180 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 -2.640 -0.292 -2.910 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 1.057 -7.649 2.421 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 -3.328 2.765 -4.104 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 -2.661 -1.206 -3.634 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 -4.662 19.046 -15.231 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 -0.980 -2.701 6.220 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 17.587 -15.948 5.407 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 -7.892 -1.593 3.787 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 3.246 3.479 3.727 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 3.079 -1.762 -2.909 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 -3.308 -0.889 -6.774 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 1.149 -1.966 1.841 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 -4.694 0.054 5.607 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 6.403 2.488 -4.511 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 -2.520 7.184 -0.843 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 -7.878 -3.059 -6.455 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 2.356 6.348 33.237 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 -0.026 -5.265 -0.824 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 4.713 12.822 -1.149 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 1.984 -9.657 -3.461 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 -1.087 -0.119 4.160 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 -5.401 -4.975 6.990 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 0.534 -2.678 3.475 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 -2.751 -3.561 -1.056 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 -19.175 -5.556 -0.711 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 6.318 1.474 -8.410 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 -3.619 0.160 4.098 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 -4.037 5.836 -2.357 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 4.910 -1.450 -0.160 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 -17.607 -14.166 10.571 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 2.146 8.093 -9.815 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 -5.617 -5.639 0.700 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 6.163 4.706 0.832 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 1.527 9.986 1.302 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 2.259 -0.632 -1.899 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 4.232 0.292 1.196 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 1.909 5.225 -1.396 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 -6.162 22.067 20.601 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 0.970 -2.083 3.638 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 4.428 -0.055 10.903 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 -2.310 5.153 6.443 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 8.460 17.478 22.060 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 4.564 4.870 2.590 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 -3.331 -4.491 -2.796 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 -2.499 2.863 4.228 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 9.074 0.193 -5.662 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 1.645 2.765 4.778 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 -6.233 -0.922 3.900 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 -11.796 -7.799 -2.904 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 1.393 -3.486 12.723 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 3.249 4.019 7.491 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 9.800 -13.789 7.271 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 -4.363 6.441 12.123 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 -3.540 -2.511 -6.553 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 2.284 -18.323 -2.534 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 4.185 -3.598 -1.115 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 6.611 -3.077 -2.252 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 -3.355 -16.510 -0.043 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 -1.788 3.969 0.620 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 8.189 -2.397 6.327 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 -1.122 8.366 -1.190 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 2.001 0.415 -0.448 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 -8.146 -1.246 -16.566 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 -17.216 13.018 -7.072 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 -0.142 -0.588 0.322 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 0.177 -6.600 -7.627 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 29.385 -1.245 -4.132 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 2.215 7.864 3.453 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 0.203 -0.330 4.200 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 4.732 -0.108 -1.282 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 -12.482 -17.195 18.387 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 0.649 1.253 -4.747 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 11.447 -4.978 -37.091 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 -0.486 5.070 -5.034 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 30.684 -14.602 -9.122 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 2.617 -1.390 -1.770 1.00 0.00 SBOX O ATOM 1792 P URA A 63 0.434 -1.628 0.728 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 -2.914 5.788 -1.197 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 -0.701 1.496 0.140 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 -4.481 14.260 1.839 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 3.060 -6.828 2.705 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 -10.986 -10.723 30.114 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 14.556 -9.480 -23.624 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 -1.769 4.332 7.769 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 -1.125 -11.189 24.938 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 -0.606 2.582 0.743 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 -3.675 -1.253 -2.555 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 -43.698 -8.227 -11.414 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 4.519 2.601 -1.644 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 -0.199 -3.578 0.843 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 14.459 -6.463 22.446 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 3.522 3.497 -8.601 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 2.021 -9.973 -8.075 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 0.298 -5.111 -2.997 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 -1.377 9.162 1.535 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 -1.089 -2.212 1.055 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 13.375 -11.953 11.111 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 -5.328 2.260 4.567 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 -6.711 2.177 0.252 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 0.929 1.575 -7.340 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 15.301 -4.767 8.859 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 -4.779 -1.550 -1.680 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 1.917 9.580 1.981 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 0.336 1.308 -0.192 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 8.005 7.205 -4.160 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 4.336 1.390 5.072 1.00 0.00 SBOX O ATOM 1822 P URA A 64 -1.201 2.910 -2.470 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 1.984 0.864 -0.633 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 -6.654 -1.999 6.936 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 2.919 5.820 -8.169 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 1.122 2.772 5.328 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 -22.926 3.822 5.217 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 13.558 -7.555 0.268 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 0.132 -6.226 8.567 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 6.961 -1.301 33.257 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 -6.371 -2.067 1.581 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 4.204 -4.810 -12.602 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 -1.906 5.585 -7.552 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 -6.602 -4.174 2.434 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 -0.882 -2.413 3.597 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 -2.328 -11.500 0.299 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 2.079 0.815 1.721 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 12.129 -11.476 22.020 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 7.780 -0.701 3.457 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 -1.458 1.938 -11.524 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 5.156 -4.632 1.667 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 5.175 20.010 19.254 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 -9.771 -0.363 6.294 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 -4.804 0.766 3.919 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 0.986 1.573 2.832 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 -3.739 7.160 0.476 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 0.643 0.867 1.489 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 2.609 0.407 1.687 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 2.998 -2.771 5.223 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 18.649 -8.823 1.898 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 -7.110 -3.168 -5.197 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 -0.398 5.809 7.128 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 3.854 1.364 3.210 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 0.085 -5.869 -3.289 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 5.226 -1.665 1.469 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 -0.130 -0.253 -3.938 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 7.885 7.417 8.190 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 3.357 5.482 0.792 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 -7.453 2.511 -6.701 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 -3.579 -10.376 -13.196 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 3.620 -5.152 5.739 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 4.981 4.903 -5.396 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 -16.592 -24.152 0.024 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 -4.846 3.284 -2.885 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 3.612 -2.335 5.030 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 -5.499 5.911 -7.999 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 2.273 -7.784 2.333 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 3.291 -1.630 -3.665 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 2.260 2.653 -2.141 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 -2.120 -2.871 -7.462 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 -0.893 -20.977 6.818 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 3.462 -14.178 -3.421 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 -0.952 -0.254 4.607 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 -6.641 5.146 -0.379 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 -3.260 -3.084 0.560 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 -0.546 -2.039 -2.372 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 -10.355 -3.645 23.644 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 -2.370 -0.053 -6.002 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 2.603 8.062 17.733 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 0.507 -0.810 -9.518 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 11.276 10.257 4.669 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 -5.291 6.023 -8.962 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 2.259 -0.031 5.956 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 -9.662 -1.754 -2.707 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 -2.370 2.670 -1.117 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 -4.786 6.051 -1.285 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 3.770 -7.493 -9.421 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 17.698 -14.831 -27.306 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 17.036 2.512 9.034 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 -1.462 -0.549 10.964 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 -16.467 5.835 20.106 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 3.809 1.635 -0.600 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 -5.878 -0.089 -3.766 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 -16.255 -7.033 -4.555 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 0.021 3.821 -5.760 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 7.021 5.100 8.562 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 -0.883 5.482 -8.648 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 -5.515 -8.242 1.213 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 9.047 -4.079 -3.952 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 -6.070 3.340 -3.621 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 3.830 0.959 0.497 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 8.067 1.541 7.389 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 -1.146 4.305 -1.818 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 2.249 6.827 -1.020 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 2.559 1.824 3.176 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 1.662 0.279 0.181 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 -7.062 -3.902 1.482 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 -12.401 -8.398 8.413 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 -4.092 7.832 -1.271 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 2.038 45.509 32.959 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 -1.398 -0.444 -3.357 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 -10.395 6.681 -8.730 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 4.420 5.309 1.343 1.00 0.00 SBOX O ATOM 1914 P URA A 67 -0.643 -2.364 -1.551 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 1.219 6.678 2.378 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 0.291 -6.284 -1.263 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 8.376 5.579 0.095 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 -1.958 5.829 0.946 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 5.513 -12.112 -10.118 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 6.695 -3.319 -10.529 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 -5.041 0.022 9.874 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 1.175 3.558 4.866 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 -4.133 0.205 -0.094 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 -4.218 1.070 -1.585 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 11.022 -5.000 16.083 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 0.988 -5.211 -4.722 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 -1.768 -0.245 -4.302 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 -7.816 14.447 10.305 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 0.635 -8.056 0.598 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 3.384 11.332 -14.809 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 -2.913 -8.637 0.258 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 -4.243 0.588 -0.690 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 -1.745 -4.643 -4.819 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 -14.940 20.638 -5.471 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 -0.500 -1.622 -7.192 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 10.636 -0.161 -3.063 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 -9.241 -6.178 2.303 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 10.620 14.208 2.348 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 -3.400 0.458 -0.088 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 5.464 -5.307 -1.298 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 4.573 3.039 4.112 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 -14.200 6.090 11.116 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 -3.977 0.992 3.049 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 -1.544 -0.301 3.848 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 2.100 -0.837 -0.839 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 8.461 0.621 1.892 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 -0.718 -8.622 4.601 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 0.977 6.973 -0.539 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 -5.069 -24.350 1.809 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 -2.794 6.907 -3.149 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 -8.235 -7.803 -4.948 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 7.461 -1.495 3.350 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 -2.209 -2.604 -3.308 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 -1.963 8.151 6.250 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 10.887 -23.004 5.594 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 2.756 -0.256 2.908 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 2.422 -0.753 -1.921 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 8.012 -6.310 6.594 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 4.896 7.674 -1.603 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 8.800 -0.295 10.552 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 2.090 -4.047 6.894 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 -1.695 -0.719 0.679 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 -2.662 1.076 -1.537 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 23.642 -9.119 21.566 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 -3.513 4.662 0.336 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 0.718 -1.867 0.379 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 4.639 -2.540 -3.115 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 3.112 -0.239 3.568 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 3.614 0.214 1.456 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 6.972 10.950 -6.169 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 -3.018 -3.303 -5.237 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 -4.626 -6.099 -4.492 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 -3.755 1.378 1.576 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 -13.350 11.504 -1.451 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 0.210 2.266 -5.516 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 -2.751 14.356 15.841 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 -1.419 1.539 -0.440 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 -0.759 -1.130 -1.061 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 -4.361 3.169 -2.915 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 -3.805 1.530 5.125 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 -5.193 0.206 6.768 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 -4.881 -1.870 -0.603 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 -2.320 -2.413 22.011 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 -10.845 -5.696 5.581 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 5.038 2.307 -2.493 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 -2.977 -19.139 -1.492 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 4.578 6.504 3.392 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 3.535 2.650 0.929 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 -5.078 -30.930 18.252 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 0.264 0.816 -2.214 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 -3.019 2.456 0.208 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 -0.418 -2.120 4.863 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 8.598 7.364 2.408 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 -27.600 -6.049 0.273 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 -3.196 -4.935 -5.740 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 5.477 -1.420 2.196 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 19.589 4.862 16.187 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 16.995 -5.163 1.201 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 -1.477 4.189 -7.327 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 5.265 -5.082 3.330 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 -8.948 -4.260 0.152 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 -11.796 -0.450 -3.764 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 7.102 -8.589 -13.008 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 12.271 -4.240 4.479 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 14.432 -10.198 -30.136 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 -2.557 0.209 0.426 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 1.056 -26.116 -0.893 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 0.608 3.407 6.790 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 -1.987 -1.208 -1.359 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 -1.211 -3.654 1.948 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 -3.451 7.845 -0.573 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 -4.185 -3.106 -2.360 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 0.542 -8.250 -1.870 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 2.402 -13.653 5.901 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 29.294 7.838 -10.842 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 0.463 -4.566 5.269 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 -9.931 -8.944 5.015 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 -0.148 -2.675 0.942 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 2.570 5.054 -3.947 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 -0.714 -9.250 3.742 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 -5.246 -4.444 -0.432 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 2.157 -3.861 3.203 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 -0.889 -23.273 25.462 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 -5.029 1.665 -0.197 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 -1.077 -0.573 12.459 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 4.244 -1.530 1.214 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 5.136 3.528 -3.277 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 1.965 -1.432 -13.629 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 3.177 10.497 -4.497 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 -2.174 3.871 0.205 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 7.043 -0.612 -1.364 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 17.224 -11.990 14.621 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 3.248 -10.071 -4.074 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 7.011 3.213 2.529 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 1.506 1.512 1.320 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 13.781 -19.793 -0.366 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 -3.434 0.042 2.793 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 4.151 5.453 -8.994 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 4.692 3.857 5.029 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 7.552 -26.205 -1.649 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 -0.904 -2.006 -0.033 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 -2.552 -2.278 -0.688 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 4.347 0.583 -5.715 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 -1.578 1.819 -1.308 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 -0.984 -1.538 4.907 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 -2.480 -1.809 -2.209 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 -18.675 3.794 10.369 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 -22.899 -1.242 -33.115 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 2.822 -0.149 -3.078 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 11.202 -4.735 0.511 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 3.409 -1.735 2.980 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 0.110 -4.642 -2.421 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 -2.682 -13.768 5.788 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 0.297 -0.543 -3.264 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 1.059 -5.993 -2.854 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 3.316 -3.084 -5.965 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 0.898 1.390 0.177 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 -3.055 -14.650 -6.093 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 -4.345 1.940 5.744 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 2.912 0.807 6.142 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 2.133 4.659 2.768 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 11.116 13.582 0.329 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 5.770 2.143 6.954 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 -9.227 -3.281 -2.985 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 -5.696 37.171 6.767 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 -8.995 10.016 5.753 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 5.107 2.236 2.287 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 -7.331 -2.300 -8.130 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 5.322 -1.463 4.561 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 5.356 -5.679 4.896 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 -2.873 -3.849 0.945 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 -4.965 8.500 -0.617 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 -4.611 -2.524 -3.053 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 -9.882 -0.426 21.347 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 -1.569 2.474 -1.173 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 -1.792 -1.072 -0.290 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 1.170 -5.495 1.972 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 3.534 1.379 -2.700 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 0.258 -0.298 -3.102 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 -7.457 -2.546 -2.847 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 -10.358 -9.549 3.029 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 7.639 -10.694 -13.279 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 -3.521 2.367 -5.947 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 4.408 -1.034 6.682 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 -1.774 3.014 1.249 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 -7.529 -2.808 0.115 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 -1.360 1.067 7.280 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 3.834 -4.414 4.064 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 -4.320 -4.291 -7.717 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 3.726 -2.819 -8.728 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 1.533 -3.504 2.539 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 -4.670 -2.736 -23.026 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 -1.626 -4.240 1.373 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 -2.351 -1.140 0.601 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 37.578 3.496 -11.483 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 -10.738 -16.900 1.441 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 5.745 -9.165 2.760 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 0.640 -3.333 -2.902 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 2.540 -2.136 1.269 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 1.316 -3.486 9.184 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 -1.850 5.672 0.318 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 -4.373 4.070 -0.268 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 0.832 -29.413 1.219 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 3.219 -1.142 1.496 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 1.216 35.440 5.705 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 -0.943 -5.509 2.187 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 0.574 1.201 0.121 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 -1.065 2.008 -0.264 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 4.870 -5.340 -5.118 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 -0.426 1.436 -5.155 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 2.992 1.490 -1.048 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 2.381 15.178 -6.876 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 2.862 4.361 -14.012 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 3.259 2.177 -10.234 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 4.250 5.591 -17.254 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 2.753 -5.440 -1.969 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 -3.516 0.749 2.557 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 1.594 2.866 0.394 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 -5.529 5.445 -1.663 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 1.374 0.088 -3.545 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 10.760 -0.705 -2.908 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 -7.189 -1.155 4.851 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 4.512 -7.029 1.889 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 -3.529 4.442 -1.888 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 -0.078 -2.701 -7.493 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 -3.263 -1.901 1.421 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 -18.554 12.240 2.054 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 -3.528 10.076 3.770 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 2.902 -9.570 -7.702 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 4.347 6.696 4.658 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 1.844 -0.855 -5.231 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 3.344 7.193 -2.383 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 2.032 4.466 0.506 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 2.239 3.286 -1.060 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 -1.969 -9.047 -29.092 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 2.686 -1.889 -3.849 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 14.820 7.579 5.152 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 2.005 5.456 -2.095 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 -14.948 6.664 0.949 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 3.604 -1.041 -7.430 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 -0.354 -2.212 2.187 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 -2.064 0.485 1.368 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 -2.770 -4.263 -1.103 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 1.593 4.202 4.839 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 0.271 -1.051 -1.304 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 19.620 20.375 8.242 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 22.713 0.534 -10.928 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 4.196 5.121 -0.080 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 8.389 7.390 -10.086 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 -2.360 4.871 1.922 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 -6.920 2.661 5.754 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 -18.651 -26.138 -17.169 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 4.074 -1.147 -3.579 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 6.341 0.056 0.020 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 -4.898 -21.325 -22.884 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 -11.756 -11.642 -0.768 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 -2.034 2.744 1.819 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 3.001 0.503 12.986 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 9.240 2.698 2.810 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 -0.761 -2.730 -5.265 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 -6.440 17.241 7.257 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 5.480 2.618 4.538 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 3.681 -5.504 -2.640 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 9.954 -15.222 6.284 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 13.018 -26.543 -27.216 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 -0.666 -4.380 -8.441 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 -1.006 3.770 8.020 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 -7.209 -0.183 -4.521 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 -8.889 -16.267 -9.573 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 -0.966 -2.558 -0.477 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 -4.239 -1.314 -29.131 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 -1.137 11.174 4.552 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 16.683 -0.385 7.633 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 3.072 0.876 -3.846 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 -2.135 -2.251 1.754 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 5.895 -3.686 2.219 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 -3.015 1.560 -0.810 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 -1.728 -2.981 2.243 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 1.227 -0.070 -1.289 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 1.937 -0.236 -6.332 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 3.201 14.024 -4.790 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 -3.915 0.051 1.941 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 -11.824 -12.262 0.773 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 0.972 -0.658 3.823 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 7.844 -5.043 2.207 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 -0.468 -9.285 1.671 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 -2.532 0.634 -2.949 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 7.962 1.565 -1.198 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 -23.435 -1.739 1.382 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 -0.988 -3.050 0.810 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 5.216 -2.555 -1.354 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 3.619 -4.368 1.928 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 -0.252 1.963 1.179 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 1.025 4.228 2.244 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 -6.217 -27.958 -7.941 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 2.826 -1.377 -4.999 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 2.672 1.887 -1.718 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 -14.330 10.874 -9.652 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 -1.067 -4.300 0.502 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 -7.155 2.146 -9.428 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 4.930 -1.739 -2.275 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 3.104 0.490 -6.272 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 6.880 1.037 1.946 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 0.142 -0.644 9.304 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 1.492 0.017 5.485 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 -7.304 17.414 16.709 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 0.214 -2.718 2.181 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 -2.873 0.989 -5.291 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 0.001 3.359 -10.236 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 4.731 -1.904 -0.636 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 -1.777 5.257 -4.797 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 -3.866 -0.532 4.309 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 -26.590 -6.778 12.011 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 -1.229 20.659 -10.734 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 0.377 5.558 2.176 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 -5.776 23.905 -8.101 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 -5.370 -3.711 -2.656 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 -6.886 2.899 -1.428 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 -6.792 -0.983 -2.194 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 -3.738 -2.428 -3.398 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 -5.196 -0.917 1.064 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 -18.678 18.137 20.777 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 -1.661 -4.275 10.756 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 1.065 2.560 -4.441 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 -7.110 13.138 -2.787 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 -10.229 3.159 -3.037 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 3.381 26.891 -5.230 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 12.211 12.471 -0.226 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 -4.262 1.812 8.017 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 -4.298 -5.106 6.077 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 -7.430 -12.697 3.850 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 2.615 3.997 -5.486 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 -3.873 0.905 -5.510 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 -4.678 2.383 2.164 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 -0.612 14.583 2.347 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 -1.494 6.002 -7.013 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 7.127 18.671 -33.800 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 -1.725 6.460 -2.323 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 4.309 -14.221 8.681 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 0.317 3.185 -0.186 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 -1.502 -6.950 1.335 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 -0.474 3.153 -4.919 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 3.604 3.461 5.769 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 -4.800 -7.634 -4.520 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 4.342 -4.821 0.086 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 12.923 -0.972 1.603 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 -9.970 10.791 -11.020 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 -3.625 4.758 0.479 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 13.364 -9.221 1.287 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 -0.692 -4.458 7.086 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 2.076 -0.363 1.031 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 -3.362 9.786 1.423 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 -1.202 2.360 -6.736 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 2.870 -1.535 -1.434 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 2.055 -10.126 8.718 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 7.806 1.350 2.191 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 -1.172 3.196 2.512 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 -3.010 -1.333 -0.234 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 2.257 -2.745 0.352 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 -7.688 11.240 13.807 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 10.037 -0.273 -5.098 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 -0.680 -1.772 0.729 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 0.162 -1.722 0.975 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 -16.478 -45.571 12.036 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 -3.001 2.226 2.879 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 2.785 -0.765 1.818 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 0.031 2.643 -6.194 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 -5.402 23.443 -1.232 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 -5.891 5.492 -1.682 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 8.728 18.455 5.512 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 2.892 4.616 0.889 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 -8.406 11.357 17.671 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 -1.389 -9.107 0.523 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 0.113 -2.585 -1.270 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 5.325 0.252 4.347 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 -3.509 7.173 0.450 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 3.425 -4.211 2.823 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 2.647 -1.762 -3.512 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 -3.260 -28.986 7.349 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 2.434 -1.312 -0.600 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 3.889 3.755 6.793 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 -14.690 -8.021 25.260 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 -3.133 4.441 -0.957 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 6.308 0.511 -8.543 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 -3.695 11.694 -10.308 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 1.715 5.587 -3.419 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 -8.364 -0.425 2.321 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 3.475 -12.493 1.018 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 0.288 -2.680 10.297 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 -0.360 6.874 3.017 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 9.529 5.776 5.918 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 1.319 3.047 -2.022 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 23.152 -9.381 8.502 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 -0.649 -19.815 -0.192 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 -2.286 -0.588 7.726 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 -1.141 4.848 0.884 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 0.499 1.673 -0.103 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 4.506 0.469 -0.396 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 -4.989 17.800 7.738 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 0.235 -6.208 -0.707 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 24.305 -20.121 -2.186 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 4.010 3.474 2.371 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 0.074 -24.000 13.626 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 -0.585 -6.723 6.229 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 0.548 -2.307 0.309 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 0.767 -7.817 -5.559 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 -2.721 0.362 0.246 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 -3.554 3.118 5.494 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 -4.195 -4.875 0.454 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 0.328 14.209 -10.253 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 -9.976 -7.587 -0.548 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 -4.047 0.051 -2.107 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 -13.272 14.686 32.826 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 -5.883 -0.354 -1.187 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 -8.311 1.742 -0.006 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 -8.820 1.881 -9.978 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 -4.963 -0.633 0.040 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 1.229 -5.735 -2.926 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 -14.539 -1.130 -4.789 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 2.411 8.611 0.194 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 -3.035 3.107 1.307 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 2.571 2.004 -3.737 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 0.622 -6.782 -7.813 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 0.773 1.793 1.888 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 1.978 -1.175 -0.691 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 3.293 -1.804 -0.203 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 -6.007 2.652 0.161 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 -14.149 6.167 5.653 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 0.513 18.950 23.717 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 -5.634 5.352 1.666 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 2.653 -1.154 -2.826 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 3.364 1.891 -0.981 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 -8.199 24.429 -15.293 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 1.154 -6.822 3.009 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 -14.645 10.303 9.255 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 3.146 0.903 -0.745 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 -7.939 11.827 -2.406 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 -1.452 3.294 7.514 1.00 0.00 SBOX O ATOM 2339 P URA A 80 3.639 -4.625 -0.042 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 -5.322 3.398 0.684 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 2.779 -4.592 7.146 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 2.276 -3.984 -0.853 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 3.717 -8.974 -0.309 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 -14.092 7.393 3.247 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 4.478 1.892 -20.604 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 1.007 -0.852 2.077 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 1.891 -12.039 -3.024 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 -1.799 3.141 -1.115 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 -0.157 -0.840 2.093 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 12.458 6.338 29.261 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 6.566 -3.773 -3.668 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 7.124 0.091 -4.048 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 11.764 -1.169 -13.698 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 1.603 -9.320 -1.988 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 23.684 -11.471 5.748 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 6.452 6.898 3.592 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 -10.942 1.360 4.966 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 -3.575 -2.237 0.350 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 -27.428 -32.246 -11.309 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 0.455 2.383 4.583 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 1.936 -6.549 3.316 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 -2.625 0.745 -4.468 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 -14.794 11.040 -13.140 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 -0.021 4.305 -8.674 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 1.326 -8.176 -8.086 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 3.584 -1.725 0.999 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 8.582 34.043 -7.329 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 -8.239 1.206 1.733 1.00 0.00 SBOX O ATOM 2369 P URA A 81 1.117 0.462 -1.944 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 0.544 -2.437 3.363 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 -0.306 -2.071 3.345 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 -4.089 4.928 -1.911 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 3.136 -3.645 3.243 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 10.816 8.636 -26.163 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 -16.696 12.799 -23.755 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 -1.335 -7.884 6.585 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 -15.944 26.514 21.639 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 5.138 3.419 -7.096 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 1.961 11.011 -1.012 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 27.446 12.966 -9.291 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 -0.505 -3.566 -4.403 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 -1.479 1.662 -1.642 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 13.954 23.579 41.895 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 -2.026 -7.255 -2.402 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 4.070 -12.726 -10.753 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 -1.072 2.176 -1.658 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 0.197 -4.228 -3.943 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 3.811 -5.034 5.805 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 4.818 -4.527 -6.994 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 3.966 -2.109 1.716 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 -3.619 -3.743 0.615 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 5.595 1.651 -0.555 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 5.605 -9.434 -11.417 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 6.463 0.591 1.107 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 10.000 -3.233 -8.699 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 -4.856 4.959 5.831 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 1.465 -0.178 -10.870 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 -4.014 4.856 0.191 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 0.171 -1.308 -2.364 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 -5.118 -1.165 0.812 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 -3.640 0.113 -2.353 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 -4.743 -3.831 -2.444 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 1.724 7.547 6.559 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 6.542 3.809 6.779 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 39.844 17.984 6.772 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 -2.817 0.199 -2.229 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 -7.884 -3.264 -4.162 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 2.337 0.764 -0.711 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 4.144 8.549 4.755 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 10.455 5.767 -17.225 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 0.120 4.074 0.366 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 6.873 1.476 -2.423 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 -2.539 -15.472 -22.935 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 4.928 -0.645 4.825 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 -10.228 -4.409 -0.753 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 5.355 -3.422 -0.871 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 -1.170 -1.955 1.528 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 0.311 5.563 -5.307 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 6.142 25.758 5.727 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 2.279 -1.326 -0.442 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 6.629 -2.851 2.394 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 4.382 -1.481 0.286 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 -4.914 -13.603 0.039 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 1.460 1.113 3.862 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 7.537 4.512 -1.865 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 4.594 4.877 3.179 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 17.612 35.533 26.172 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 -2.475 -2.254 -7.445 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 13.039 -10.455 -0.823 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 -1.179 -4.218 -1.773 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 -13.608 0.719 5.580 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 -7.656 -1.795 4.905 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 -2.326 -3.522 1.237 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 1.517 1.987 -8.436 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 -1.924 5.230 -0.477 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 -1.763 -1.661 2.185 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 -3.467 -0.921 -3.495 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 1.441 -11.097 -0.842 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 0.188 -0.368 -4.238 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 -7.111 -0.533 5.079 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 -8.437 1.751 8.055 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 -1.166 -4.949 10.002 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 -1.906 -7.104 0.929 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 18.559 1.423 -22.996 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 0.714 1.160 -2.753 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 -0.593 -5.533 6.302 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 4.647 2.388 7.550 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 -1.495 3.258 -4.251 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 2.641 0.463 4.401 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 -1.125 2.114 -5.079 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 -0.593 -0.544 -7.312 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 11.736 -4.438 5.630 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 10.804 16.822 -15.062 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 1.938 4.593 -4.265 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 -0.705 5.319 6.929 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 0.076 6.858 7.922 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 -0.775 -0.076 -3.640 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 2.958 13.072 -4.343 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 -1.310 -3.742 9.674 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 20.617 -15.326 -9.693 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 -0.758 3.033 -7.414 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 0.054 0.925 -8.230 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 -0.795 1.067 -6.860 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 -0.508 0.748 10.677 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 6.421 6.286 0.216 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 1.597 2.780 3.485 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 -0.024 -3.616 -1.927 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 4.827 -2.655 -3.937 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 5.632 2.671 0.836 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 -1.311 3.322 -0.086 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 -11.106 10.044 5.719 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 10.368 -3.305 -9.151 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 -5.366 -2.607 -0.605 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 -28.629 -22.877 -5.124 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 5.136 1.018 5.508 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 -2.599 7.891 -2.326 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 3.221 17.165 -8.169 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 -3.633 -3.093 1.173 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 -1.458 5.480 -1.659 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 -14.201 17.129 -0.124 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 7.083 0.042 -4.305 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 10.978 6.574 -0.087 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 4.073 -6.474 -5.373 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 -5.001 1.310 4.470 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 -29.412 -20.078 -5.862 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 6.265 -2.001 14.960 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 0.423 5.365 1.797 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 -3.510 3.414 -2.213 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 -5.920 1.955 -3.550 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 5.066 2.354 1.587 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 6.786 -8.929 4.733 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 -1.915 -0.831 -5.606 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 -23.201 -21.748 8.929 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 -8.080 -1.133 -5.419 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 -16.412 0.410 -3.941 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 -2.372 0.133 -1.652 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 26.481 1.525 1.922 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 3.029 -12.063 4.900 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 3.045 3.344 3.822 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 6.743 -0.352 2.563 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 -0.010 3.240 0.425 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 0.443 9.530 8.101 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 2.046 -1.016 2.187 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 15.607 1.715 -4.082 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 2.911 -0.920 1.450 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 1.485 -1.488 3.423 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 5.498 4.506 8.141 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 2.571 -1.989 3.350 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 1.051 3.656 9.394 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 1.591 -28.083 12.304 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 -2.177 -1.765 -5.642 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 5.487 -7.763 2.182 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 9.093 0.814 5.334 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 -1.126 7.272 -2.751 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 6.531 0.986 2.821 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 3.048 -0.928 -4.517 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 -3.897 -0.334 5.575 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 2.893 -2.708 -8.124 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 16.509 -13.430 1.146 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 -4.606 2.170 1.940 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 -4.708 -12.694 1.400 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 -4.837 -23.972 -5.347 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 -2.256 1.478 -4.227 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 -2.571 4.752 -0.549 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 0.499 -3.799 0.329 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 21.240 16.669 9.089 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 2.401 -5.585 5.812 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 1.330 -0.785 -18.054 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 3.011 -3.065 -4.320 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 4.660 -3.525 -5.949 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 -0.227 -0.944 4.029 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 -0.179 0.173 6.321 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 -2.564 -5.444 2.297 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 -0.713 3.735 -6.697 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 2.293 0.636 -7.456 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 3.279 -2.159 -1.296 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 -5.654 0.637 -9.584 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 6.624 2.453 -21.789 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 5.378 -5.868 -3.887 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 -6.764 11.577 -3.602 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 -0.845 -4.815 -5.459 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 8.584 1.297 -1.176 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 -6.383 19.302 5.048 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 -0.081 11.328 -2.290 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 -0.850 -0.707 -6.870 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 0.928 -10.319 -30.153 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 1.263 3.041 -4.651 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 0.541 -1.342 -2.403 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 -8.382 -6.023 0.124 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 -1.611 -2.692 -0.594 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 4.440 -6.068 -3.307 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 4.775 -0.622 -10.015 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 -1.142 -1.063 -2.480 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 -1.396 0.191 0.963 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 3.083 4.661 10.836 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 -25.996 11.793 -5.321 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 1.755 -7.046 -6.760 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 -0.750 8.664 5.864 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 -0.414 8.214 7.218 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 -4.395 -8.045 3.527 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 6.697 -3.479 9.168 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 -6.203 -5.358 -15.761 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 1.586 -4.151 3.434 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 -0.749 3.001 6.758 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 -6.647 1.805 -1.215 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 -6.589 -1.423 9.603 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 -3.417 3.878 2.888 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 -2.674 1.787 -0.886 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 -8.870 4.382 5.743 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 -0.051 9.200 10.281 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 -20.942 6.724 5.349 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 15.862 -4.347 -12.309 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 -1.885 2.816 -8.728 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 3.022 14.535 -3.309 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 2.478 -8.955 4.237 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 0.038 5.503 -4.873 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 10.706 -19.883 -19.919 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 -2.243 -0.774 0.224 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 6.655 -0.367 -4.348 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 4.518 -4.198 -7.621 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 -0.113 -13.138 -0.197 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 0.561 8.716 -0.382 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 7.043 -1.111 -6.257 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 -1.454 1.022 2.191 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 -4.832 5.393 -2.190 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 7.390 34.317 12.585 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 -2.944 0.693 -2.934 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 -6.554 -3.765 -9.696 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 -7.338 1.226 9.439 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 -4.259 2.116 -4.323 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 5.983 3.625 6.500 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 1.103 -9.408 -0.541 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 -29.424 -4.722 6.841 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 5.337 4.267 -1.258 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 18.859 13.271 1.421 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 7.209 -4.101 2.679 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 17.875 -17.782 -19.372 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 2.432 -6.278 6.538 1.00 0.00 SBOX O ATOM 2599 P URA A 88 4.194 1.970 -2.541 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 -2.190 0.842 -1.966 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 1.689 4.523 4.548 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 3.867 0.100 -5.318 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 0.823 6.261 -6.119 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 12.594 1.774 -8.806 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 14.606 2.403 23.347 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 -4.246 -5.473 1.034 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 21.709 8.768 -17.247 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 2.033 6.632 -5.509 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 0.745 4.830 -3.061 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 0.310 -18.206 11.358 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 0.129 -0.986 -4.651 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 2.348 -0.383 -2.881 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 -4.458 -23.424 -15.877 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 2.537 0.148 1.625 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 2.242 9.693 -16.059 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 -1.782 -1.164 0.009 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 -1.479 -0.544 -1.087 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 -1.798 6.531 -0.904 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 -1.312 -7.202 -6.735 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 -6.627 -1.030 1.170 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 5.440 -3.390 1.001 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 -7.410 4.975 2.431 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 -7.293 2.782 -3.510 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 -0.561 -0.530 -6.754 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 -14.607 4.593 -6.036 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 -4.242 -1.770 -9.619 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 -7.346 -1.310 -16.130 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 6.949 6.210 3.007 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 0.353 1.053 5.625 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 -3.359 0.936 11.576 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 -5.971 -1.425 0.678 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 -0.522 2.322 -0.331 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 5.881 6.905 -8.443 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 12.342 10.319 -12.396 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 -4.637 3.024 18.805 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 1.352 -6.852 11.745 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 8.307 2.407 -5.918 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 6.629 -7.426 -2.020 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 -4.007 -3.132 -3.153 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 -8.063 11.202 11.238 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 -5.481 -4.668 -0.530 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 3.197 3.752 11.165 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 3.607 -1.432 6.821 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 -0.978 2.778 -3.270 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 -3.349 1.954 -3.819 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 2.798 -6.370 -2.684 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 5.798 -0.934 2.453 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 2.452 -2.130 -4.922 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 1.785 -1.083 -4.789 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 -2.066 -4.311 -1.751 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 -4.491 1.365 -7.692 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 3.442 4.522 -6.800 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 4.734 9.909 -4.286 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 -7.337 -2.200 2.662 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 -4.567 -0.634 -12.569 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 -3.512 -6.761 0.187 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 -5.339 -17.903 45.305 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 1.311 4.783 -0.312 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 10.889 6.079 -5.709 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 11.915 5.026 -4.163 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 9.478 5.047 24.878 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 -2.721 10.362 -0.692 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 1.292 0.516 -1.344 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 8.543 -2.315 -2.684 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 -2.873 -5.045 -3.926 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 1.914 2.934 -2.718 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 5.605 2.075 -7.536 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 1.017 -24.539 1.413 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 24.832 0.393 -3.051 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 4.507 -1.220 -0.101 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 0.373 -3.399 -5.819 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 -0.323 0.418 0.296 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 -1.623 -1.414 -9.730 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 7.005 -6.747 -6.704 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 -1.988 -5.580 -1.497 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 1.507 -2.017 -4.882 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 23.362 5.945 -9.575 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 -2.145 -7.632 1.897 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 7.400 1.679 10.873 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 -2.563 -1.703 1.422 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 -6.298 -2.225 -4.541 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 7.613 8.215 -0.617 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 -27.341 30.979 27.700 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 -5.598 -4.736 7.456 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 2.389 8.737 2.751 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 -7.519 20.786 14.873 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 -4.385 6.080 7.687 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 1.503 -0.063 -1.241 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 -0.989 2.275 -9.975 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 -4.583 -14.142 -19.917 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 1.661 -5.365 3.453 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 1.176 8.045 21.334 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 -5.032 1.204 -0.930 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 44.668 2.383 -1.131 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 -10.026 4.426 -9.152 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 2.222 0.530 -1.282 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 0.551 5.868 2.202 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 -1.172 -0.678 4.747 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 -2.225 6.709 -7.188 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 13.976 5.322 -0.752 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 14.250 9.069 -7.440 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 -5.523 2.331 -0.135 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 -4.733 5.209 1.698 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 11.293 -17.423 2.900 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 0.352 6.249 -2.900 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 -1.101 -2.253 -6.772 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 10.039 -6.442 22.706 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 3.777 2.103 -0.617 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 -4.959 1.287 -0.313 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 -2.986 4.636 -17.460 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 4.002 -3.753 4.702 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 3.025 -1.158 1.211 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 -5.738 0.274 1.275 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 2.373 1.231 4.673 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 -3.735 -6.949 1.294 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 1.931 -6.685 11.715 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 -4.015 2.268 5.921 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 -0.226 7.172 6.228 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 -5.501 -11.052 19.896 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 -6.580 5.963 3.545 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 2.235 -0.208 8.110 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 2.380 6.343 -7.323 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 1.582 -0.780 -1.384 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 -17.568 16.126 -5.227 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 3.698 -6.660 0.093 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 4.157 -9.035 3.297 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 -1.884 -0.971 -1.710 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 -11.318 -5.651 12.702 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 -2.456 -3.194 -2.298 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 3.501 -1.317 2.422 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 5.204 8.543 2.739 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 2.171 3.853 0.790 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 0.149 0.262 -1.514 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 2.539 5.869 -1.266 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 -21.023 14.887 7.051 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 27.803 4.727 12.602 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 1.545 1.219 -12.826 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 -5.821 11.230 -7.512 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 1.520 -5.248 -1.407 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 -6.775 -0.587 5.929 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 -16.467 13.214 -18.308 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 -8.594 1.964 4.549 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 -10.589 -4.054 -2.173 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 -10.119 11.845 -17.848 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 9.904 -4.292 -9.518 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 -4.975 -12.639 -28.535 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 3.441 -3.335 -0.436 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 4.490 -7.230 -5.110 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 15.806 1.644 -9.287 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 9.015 -5.175 -2.585 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 7.878 -0.656 -1.460 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 9.542 5.114 0.810 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 1.627 -2.766 -0.950 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 4.179 0.653 -3.154 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 -1.019 21.359 22.568 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 3.818 -3.917 0.342 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 9.450 16.643 6.355 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 1.032 9.358 1.089 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 -17.391 18.743 -4.858 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 0.084 2.103 -3.940 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 -3.184 -1.199 1.552 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 2.527 0.142 -0.709 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 3.696 2.314 -2.008 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 1.552 -4.975 2.352 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 -2.048 -1.538 -8.843 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 -1.175 8.660 8.588 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 -0.883 15.919 -6.931 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 0.743 -7.473 6.586 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 15.978 -9.739 -8.731 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 -9.283 1.260 -1.618 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 -13.064 -4.598 -2.003 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 12.783 -2.896 -10.433 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 -3.734 11.470 -2.603 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 8.519 2.924 -5.850 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 17.259 -9.968 -1.245 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 1.682 1.620 -3.702 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 -18.180 -4.151 -4.057 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 5.807 -5.920 -1.899 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 -0.715 0.752 -0.963 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 4.943 -11.733 8.689 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 -15.639 -5.308 -8.289 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 -0.393 -0.621 0.996 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 -1.845 6.798 5.564 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 -2.249 -0.374 7.245 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 1.471 0.714 -1.253 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 35.146 4.390 8.993 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 -0.657 0.639 1.591 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 -3.837 1.133 -3.241 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 2.764 -5.093 0.007 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 -7.780 -27.173 -3.120 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 1.814 -3.215 3.940 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 1.499 0.475 -1.034 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 -4.540 3.672 -1.484 1.00 0.00 SBOX ATOM 2794 P ADE A 94 0.610 1.027 1.576 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 -1.601 -3.071 3.556 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 1.884 3.439 1.114 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 -2.257 -8.576 -4.223 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 1.791 -6.638 0.104 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 -11.392 1.185 11.445 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 5.013 18.009 -1.220 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 0.869 -5.027 -2.735 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 16.317 8.252 -31.360 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 2.884 -0.972 -0.834 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 1.763 3.299 -7.710 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 -6.540 -16.663 4.442 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 -4.157 -3.209 -2.963 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 -0.078 1.181 -2.407 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 -6.375 -19.455 -9.744 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 0.722 -2.220 -4.878 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 -6.896 4.752 3.096 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 -3.372 -0.174 0.574 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 -1.732 -2.557 1.463 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 7.480 -6.700 -3.205 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 -6.574 11.960 -5.035 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 -0.839 -3.921 1.423 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 8.040 -6.194 -4.784 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 -19.182 -27.156 -11.410 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 3.852 4.082 -0.377 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 -1.874 -4.551 -2.912 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 -2.937 -3.459 -1.443 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 3.197 -5.064 13.937 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 0.593 -2.217 10.284 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 4.390 -7.132 -0.645 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 2.768 1.175 3.240 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 7.743 2.198 5.473 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 -0.472 0.197 -1.281 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 2.986 2.420 1.529 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 4.332 0.231 -4.267 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 4.600 -1.029 -1.153 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 7.123 -1.223 -25.684 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 17.409 -7.236 -11.885 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 -5.891 4.374 1.834 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 22.226 -12.176 -4.229 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 13.874 13.386 18.399 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 -2.446 -5.070 -0.852 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 0.036 -28.694 -2.477 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 21.251 -12.868 -5.042 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 -0.060 -0.825 0.757 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 -16.889 7.562 -11.636 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 1.898 14.659 11.487 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 7.981 5.729 2.127 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 13.666 3.827 12.491 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 -21.145 3.370 -11.141 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 -5.781 -0.687 2.577 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 22.523 -17.961 25.121 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 -16.423 -5.389 -4.189 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 -4.106 -3.896 -4.637 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 14.057 26.869 6.511 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 4.047 5.858 7.118 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 -7.153 1.646 6.814 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 6.352 -22.572 10.389 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 -25.581 17.667 6.143 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 -2.390 -3.749 1.136 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 24.698 -4.763 3.419 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 -11.350 3.447 6.317 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 10.374 -1.673 0.866 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 8.479 -2.537 -3.753 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 11.711 -11.314 -33.681 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 -2.117 -9.873 -5.372 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 4.511 -3.332 -12.993 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 7.865 -14.879 -8.541 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 0.457 -4.249 -2.717 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 5.413 7.946 9.358 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 -10.063 2.127 4.165 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 2.852 -3.063 -0.758 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 -3.550 -0.075 -7.392 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 -0.582 -1.551 6.762 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 0.813 1.253 -1.181 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 -15.278 9.201 -11.740 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 -1.323 0.862 2.481 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 0.563 1.476 -1.062 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 -15.505 -5.434 0.056 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 16.799 10.694 4.285 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 -0.625 -2.492 -0.122 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 -19.878 6.679 -25.094 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 4.227 9.310 12.383 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 1.463 1.973 3.158 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 6.208 -1.829 10.487 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 -13.511 7.867 -5.641 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 1.017 -4.968 0.281 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 0.367 -9.290 0.196 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 1.936 -8.173 -2.424 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 -0.038 -7.171 -6.544 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 17.944 2.402 9.713 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 -2.372 3.843 -26.492 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 -0.348 6.604 1.316 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 -22.148 -7.152 -15.461 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 4.280 6.926 2.740 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 -1.407 -4.324 2.430 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 4.348 -7.303 -13.274 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 -1.026 -2.531 1.854 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 -6.039 4.129 0.968 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 0.375 -0.320 -6.638 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 -2.147 -2.978 2.647 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 -4.962 -4.562 -3.194 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 9.778 -3.530 -5.113 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 -15.070 -5.971 -10.950 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 3.161 1.222 -1.241 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 -0.387 10.192 6.919 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 4.310 -0.722 -5.081 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 2.239 -5.132 0.179 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 -5.346 -8.309 9.837 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 5.887 2.575 4.257 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 -1.532 -2.550 -5.945 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 -24.671 17.332 -0.133 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 15.012 -18.968 12.350 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 -0.219 -3.757 -5.936 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 -10.269 -8.562 7.028 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 -11.926 -1.014 -18.308 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 2.246 1.723 1.468 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 5.226 1.384 1.799 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 -29.410 8.563 -7.077 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 5.497 -5.236 -7.453 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 -23.571 -12.908 0.588 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 1.252 -30.727 -5.172 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 -1.345 1.648 2.237 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 -9.400 6.929 8.928 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 6.420 19.848 6.139 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 4.559 1.508 9.446 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 4.899 1.882 5.180 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 7.978 3.705 2.547 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 3.695 3.705 -0.214 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 2.008 3.261 -1.566 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 3.909 5.885 -4.000 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 0.881 -1.894 -4.229 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 12.672 -15.134 9.309 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 -0.537 16.926 6.201 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 -3.017 -3.266 -4.123 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 -11.137 5.572 -5.268 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 12.578 0.793 -5.166 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 6.960 4.374 -7.803 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 4.425 -4.690 -12.595 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 1.580 31.321 -2.056 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 -0.676 4.613 5.850 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 10.337 -3.695 -8.028 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 0.422 5.036 3.561 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 -0.179 2.328 1.417 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 6.415 8.678 1.073 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 -8.433 -12.410 29.676 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 8.408 3.891 1.207 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 19.408 -7.271 -40.287 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 9.385 17.727 8.714 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 0.443 -4.590 4.994 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 6.619 -10.828 -9.405 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 -1.961 -5.661 0.350 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 -1.185 0.402 0.711 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 4.324 -1.343 6.640 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 -8.230 7.011 9.242 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 -1.330 -3.121 0.192 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 -5.174 7.341 -12.380 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 -11.688 4.511 -5.649 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 2.054 1.068 -1.573 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 0.168 -21.964 18.273 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 -1.713 3.110 14.362 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 -8.035 7.477 0.686 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 -1.537 9.756 -5.593 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 -8.184 8.126 -0.080 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 -0.721 5.187 -2.381 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 -2.166 6.946 8.182 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 -9.387 -8.048 2.047 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 1.170 -3.971 1.472 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 -2.313 -10.510 10.947 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 -0.610 0.508 -13.882 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 -0.284 -0.315 3.858 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 -0.128 -2.827 4.583 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 2.140 16.388 0.001 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 -2.192 -1.223 -5.127 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 0.855 -2.923 17.538 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 -8.905 -1.420 -16.287 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 3.776 -3.738 0.492 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 -25.882 5.653 9.477 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 -7.550 1.683 -4.833 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 -2.357 2.736 -5.791 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 9.525 26.972 22.752 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 -17.582 13.690 7.334 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 0.226 1.071 5.552 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 0.318 9.197 -1.804 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 13.506 -9.436 -14.196 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 1.794 0.704 -2.073 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 0.173 6.487 -14.554 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 23.598 1.466 5.492 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 9.887 7.647 0.089 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 -4.490 13.742 -0.558 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 -12.225 17.894 -0.082 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 2.214 -2.664 -0.447 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 16.548 -6.828 -9.728 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 5.108 -6.874 27.507 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 4.288 -0.433 0.889 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 -12.473 9.442 -5.851 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 2.724 -0.404 7.147 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 -3.754 1.669 5.325 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 -2.678 2.869 6.536 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 -5.202 2.379 9.022 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 -1.881 2.679 6.969 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 1.625 4.707 7.059 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 16.503 2.478 -11.883 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 1.603 3.519 2.305 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 -9.932 -25.929 15.223 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 -24.666 15.733 -10.655 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 0.439 -1.479 -0.967 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 -13.283 20.274 -8.895 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 10.920 -4.555 9.323 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 -0.127 -3.498 5.473 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 -12.256 12.257 20.071 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 0.548 -11.568 -3.071 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 5.614 -0.705 -5.954 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 7.795 -4.996 9.674 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 7.066 -1.173 -7.052 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 -1.560 -0.040 -9.539 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 -7.245 -5.813 -10.025 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 -0.413 0.542 -2.421 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 0.646 -5.543 3.747 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 -6.974 -5.681 9.953 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 -9.563 -5.075 1.999 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 3.126 -3.607 -1.389 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 -8.027 26.189 -6.718 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 -2.995 -25.370 1.218 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 -10.191 -0.244 1.011 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 -10.989 -4.438 -3.304 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 -11.310 1.061 0.665 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 -0.153 6.361 -2.415 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 -8.303 24.083 25.109 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 -20.312 5.208 2.922 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 -2.414 -2.587 -1.895 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 -4.090 14.647 10.925 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 -2.637 -0.052 4.598 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 0.304 -2.945 -6.103 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 -8.847 18.313 11.962 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 -33.261 1.601 -8.947 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 -4.309 0.076 -3.465 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 0.123 -10.772 -17.929 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 -4.757 3.152 -14.336 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 4.331 7.349 2.711 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 17.078 15.691 6.365 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 6.343 12.506 3.020 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 1.978 -1.260 0.603 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 -9.421 -0.038 -5.966 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 4.473 -8.673 -0.297 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 -1.439 0.961 8.617 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 -16.875 -0.798 11.448 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 5.627 11.502 2.585 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 0.435 1.486 -7.359 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 -3.245 0.686 -5.601 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 -11.718 -0.305 -8.773 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 -1.159 1.824 -2.468 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 2.576 4.708 -1.445 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 0.029 -3.266 -1.097 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 4.237 -2.592 1.970 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 -0.609 -20.630 38.561 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 5.746 0.029 -3.712 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 2.952 -10.926 0.757 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 -9.166 5.685 3.009 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 -7.960 -0.505 4.914 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 -0.290 1.886 0.221 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 -6.180 2.838 -13.362 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 4.448 -13.811 -18.400 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 -2.224 -2.787 -3.585 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 -15.120 -6.873 -18.592 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 4.383 5.628 1.693 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 -6.289 -7.362 0.423 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 8.080 -16.090 -0.925 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 0.483 9.829 -9.308 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 2.448 1.562 -0.196 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 0.299 -0.428 0.074 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 3.951 -2.691 -6.220 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 4.666 -5.604 -0.682 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 5.643 -6.086 -5.041 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 10.824 -7.558 -1.767 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 2.450 7.278 1.025 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 1.809 2.981 1.444 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 0.410 -21.342 11.008 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 -6.221 8.689 -5.297 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 -0.572 -5.187 -0.008 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 25.692 4.069 6.007 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 1.508 2.461 0.575 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 -11.253 2.839 -15.163 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 7.580 1.063 6.513 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 4.622 7.659 -0.777 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 -12.847 -12.030 -4.257 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 -2.673 2.009 -2.290 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 0.153 1.126 3.625 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 8.098 -20.310 7.488 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 -1.766 -2.640 3.078 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 -0.655 2.515 0.025 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 3.269 -20.982 -16.919 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 11.336 4.487 3.185 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 -3.118 3.958 2.660 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 -13.447 14.110 -0.810 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 10.015 -0.485 5.955 1.00 0.00 SOLV ATOM 3090 MG MG X 205 2.197 4.217 -4.079 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 -0.215 -4.242 1.687 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 1.601 2.081 -4.806 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 -5.555 4.919 11.857 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 -7.971 7.526 -3.801 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 3.560 8.221 1.811 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 13.800 1.978 -36.887 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 1.809 -1.607 5.545 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 1.736 2.945 5.574 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 -6.367 -0.515 -1.292 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 -1.342 -0.652 -1.450 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 4.616 -7.848 -21.146 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 2.228 -6.528 -2.120 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 -1.412 2.134 2.849 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 -5.797 12.987 2.339 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 1.763 0.177 3.688 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 -2.666 -0.409 -1.245 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 -1.437 2.085 -5.296 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 -2.429 -0.692 2.961 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 11.860 -15.656 -1.292 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 0.403 3.452 -9.946 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 1.372 6.030 -10.337 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 -0.052 -24.301 44.083 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 -4.648 5.044 7.550 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 12.595 -1.764 -13.303 1.00 0.00 SAM ATOM 3115 N SAM X 301 0.956 6.462 5.117 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 2.050 5.112 13.565 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 -6.627 -4.046 -16.493 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 -9.315 -13.554 2.066 1.00 0.00 SAM ATOM 3119 CA SAM X 301 -0.546 -3.908 -2.555 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 -10.582 17.289 -14.023 1.00 0.00 SAM ATOM 3121 CB SAM X 301 4.824 2.151 7.627 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 15.193 42.766 6.361 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 -17.014 22.281 -1.028 1.00 0.00 SAM ATOM 3124 CG SAM X 301 3.883 -2.655 -3.788 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 2.050 -6.563 -4.388 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 -5.335 -13.485 16.170 1.00 0.00 SAM ATOM 3127 SD SAM X 301 -2.222 3.683 5.303 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 3.712 1.844 8.937 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 6.610 -1.010 0.203 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 -1.552 -8.849 5.773 1.00 0.00 SAM ATOM 3131 CE SAM X 301 -7.964 -2.010 6.390 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 2.133 25.816 -4.417 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 3.124 -3.831 -7.363 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 -8.687 -0.560 6.161 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 0.618 3.910 -0.723 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 13.278 35.735 8.517 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 5.938 -1.880 4.354 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 8.282 7.809 29.670 1.00 0.00 SAM ATOM 3139 C SAM X 301 1.329 -0.779 -3.499 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 1.724 3.608 -8.486 1.00 0.00 SAM O ATOM 3141 O SAM X 301 5.184 -0.368 0.467 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 -3.529 -3.538 2.766 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 6.107 4.482 3.647 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 -7.760 -9.959 -10.929 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 -2.673 6.528 1.693 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 9.190 -18.761 3.093 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 -1.019 23.849 1.591 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 -1.269 5.180 -0.193 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 -2.535 -4.287 -6.191 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 20.110 -0.166 -4.646 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 -4.529 0.287 -0.058 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 -13.271 -12.193 -2.040 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 0.909 10.888 1.925 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 1.805 3.671 -4.711 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 -10.222 29.372 1.237 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 -27.953 -18.034 0.963 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 -4.128 -0.307 -3.537 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 -0.282 -6.357 -9.271 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 -4.807 1.262 0.761 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 3.582 -3.153 -0.679 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 -51.583 -29.801 15.665 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 -6.596 7.621 3.789 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 -6.437 -2.597 -3.469 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 5.471 9.120 -6.073 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 -4.790 0.004 -16.667 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 -3.796 -0.657 9.864 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 -2.897 2.615 -13.996 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 -8.602 0.905 13.409 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 0.535 0.448 2.901 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 0.491 -4.953 6.057 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 9.074 -0.890 4.126 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 -0.366 0.574 -3.164 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 -6.235 5.493 -0.876 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 1.231 -7.366 0.658 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 -3.944 -2.436 -0.057 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 -13.091 10.930 6.110 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 -28.414 -22.552 -26.123 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 -4.305 -1.894 2.142 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 -15.925 20.671 -5.951 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 -9.744 -15.410 5.887 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 1.459 1.065 -11.969 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 2.032 3.018 -4.386 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 2.777 -7.116 -1.053 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 0.741 -4.145 -1.766 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 0.999 -11.225 -2.030 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 -3.840 -2.471 -3.627 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 -2.337 -0.633 4.275 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 9.175 -4.208 9.312 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 -25.193 8.286 7.808 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 -0.842 -2.128 2.548 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 16.447 -5.629 -2.980 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 14.639 6.247 2.542 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 2.839 -0.128 1.165 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 -0.559 -15.509 19.822 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 19.051 13.789 6.698 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 1.122 2.783 -1.955 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 -6.654 8.000 9.314 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 0.049 -13.429 -3.329 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 3.409 0.776 -1.196 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 6.363 -8.383 -16.196 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 -5.590 10.056 -0.893 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 -0.546 0.100 1.408 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 -8.756 22.025 -3.634 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 28.797 2.082 -19.687 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 -5.250 4.933 -2.961 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 -1.486 -9.205 7.568 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 -12.042 -21.341 40.022 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 -0.921 0.364 -0.358 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 3.648 -6.561 -7.308 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 -7.118 3.444 3.366 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 1.681 -4.957 -1.457 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 5.116 15.729 19.838 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 -2.432 -6.443 -11.344 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 0.011 2.800 -0.789 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 -1.050 -11.367 -9.604 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 -2.058 13.279 -13.299 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 3.260 3.530 -3.279 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 6.272 2.398 -3.006 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 3.199 6.234 -3.679 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 0.040 -1.879 -6.008 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 -0.627 3.351 6.720 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 0.780 -5.395 -16.241 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 -4.256 -1.593 -1.123 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 -1.219 -13.949 14.002 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 -3.515 4.296 -8.086 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 -1.985 0.970 0.820 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 -6.525 0.647 4.285 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 6.382 5.797 -6.611 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 0.656 -4.368 1.392 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 -11.276 -12.812 0.788 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 -6.798 -1.819 18.655 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 -2.163 -1.975 -1.277 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 26.638 -6.794 -7.611 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 7.626 -0.367 3.968 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 2.294 6.437 3.892 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 -6.850 14.030 14.419 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 -7.954 1.441 10.679 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 -0.688 1.132 -2.052 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 -4.811 0.726 -2.543 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 -13.040 8.904 0.423 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 2.179 -0.657 -3.413 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 26.699 -6.945 -17.882 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 -2.713 -1.984 -4.323 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 -6.989 4.177 -0.229 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 -0.580 -10.817 -0.852 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 -0.897 -18.978 -7.477 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 -10.831 1.258 -2.055 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 -16.047 -26.609 -4.838 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 -12.309 -12.167 -2.559 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 -3.111 6.572 -0.312 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 -1.902 4.233 -5.005 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 2.809 6.261 -1.381 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 2.147 2.126 1.824 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 -5.126 4.362 11.162 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 13.186 6.159 4.991 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 -2.603 -1.841 -2.759 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 -14.626 -6.407 -11.205 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 4.043 32.523 -15.098 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 -7.793 3.414 -6.471 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 2.465 3.074 0.198 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 -15.537 2.688 1.434 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 7.419 4.127 3.575 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 14.236 3.641 6.568 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 5.776 5.609 6.124 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 -4.001 -2.426 5.217 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 20.655 6.381 7.316 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 -2.832 6.489 5.209 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 2.805 -4.539 -1.918 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 2.166 -6.620 -8.455 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 8.897 -7.884 0.652 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 8.976 1.901 6.274 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 -6.707 4.064 -22.485 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 -0.332 -5.455 7.942 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 2.107 -4.131 5.126 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 -13.973 7.699 3.323 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 36.961 -4.187 -12.076 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 -2.348 -6.449 -2.552 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 2.624 -2.872 7.076 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 37.989 17.735 2.227 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 7.347 -1.143 6.803 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 -7.402 -16.172 29.855 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 2.302 26.664 15.043 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 -3.378 -6.612 1.829 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 -1.077 -9.100 -13.521 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 -15.684 -5.392 0.258 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 1.457 -0.494 7.254 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 -16.779 -8.751 14.569 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 -4.405 -10.785 20.200 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 4.386 -1.844 3.707 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 10.772 15.476 12.213 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 -9.613 7.479 0.038 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 1.973 -0.444 -7.407 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 2.149 6.836 -17.127 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 7.835 19.941 -7.176 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 -2.196 -9.045 -0.475 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 -13.404 -4.304 2.236 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 11.899 -14.756 -3.373 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 2.183 -3.017 -9.667 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 -10.110 -5.127 6.515 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 10.130 2.732 8.610 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 5.905 -5.599 -1.929 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 -18.543 -21.131 3.955 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 3.410 -11.152 -21.702 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 0.575 5.402 -7.188 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 6.348 -3.491 -16.526 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 -10.455 -1.049 -3.109 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 -2.380 8.972 1.678 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 0.567 6.963 3.905 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 -0.426 9.911 -10.969 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 -5.832 1.520 1.990 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 -5.142 -3.280 13.572 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 -14.536 6.918 0.169 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 6.303 -6.614 6.323 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 3.379 2.026 -2.107 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 4.359 -13.454 3.706 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 2.715 -1.334 2.765 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 -7.490 3.203 4.712 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 -24.547 -4.007 22.459 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 5.280 -3.770 -0.302 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 -35.865 7.960 13.912 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 -11.711 -17.839 -5.033 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 5.256 9.769 -2.244 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 7.958 -9.849 5.938 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 1.727 -8.085 2.123 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 2.071 5.348 -0.389 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 6.993 7.962 2.779 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 1.930 -9.914 7.999 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 -1.313 0.741 4.015 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 1.959 -9.487 8.833 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 -10.942 9.852 3.403 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 4.185 1.475 -5.591 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 0.568 29.971 -17.208 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 1.758 11.918 -9.413 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 8.426 2.147 -6.835 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 -1.151 -8.891 -7.738 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 -4.664 12.503 -1.350 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 -2.655 -0.081 -1.420 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 27.233 -22.814 -35.057 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 -2.793 -0.052 1.367 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 0.367 -1.608 3.163 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 16.606 5.399 1.651 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 9.270 -0.592 -1.054 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 4.133 -4.819 -6.082 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 9.946 -10.849 0.151 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 8.927 1.789 -5.117 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 1.093 -0.542 -3.458 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 -19.137 -27.652 -2.196 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 0.737 28.221 14.480 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 0.193 -5.248 -3.868 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 6.484 0.875 -6.623 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 13.022 -3.880 8.507 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 2.798 -1.248 2.580 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 7.056 -17.595 9.035 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 2.170 4.102 -9.695 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 1.101 -9.627 -1.920 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 -4.677 -3.344 -31.105 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 -4.368 -3.030 -9.358 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 -4.594 -4.974 1.848 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 3.208 -13.483 0.182 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 -8.254 -3.907 0.975 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 -4.813 3.348 1.872 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 -13.516 5.142 28.407 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 -8.107 -4.458 -10.362 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 -3.441 -2.446 1.111 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 12.321 -8.147 9.140 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 24.660 -5.748 -11.046 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 -6.199 -2.663 -3.044 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 -5.446 -6.289 0.825 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 6.122 -3.889 -12.976 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 -6.924 -3.297 -1.456 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 -5.823 -5.928 4.265 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 -1.377 -15.469 -8.678 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 -0.363 -3.615 3.910 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 0.374 -7.016 -0.054 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 5.191 -2.513 5.021 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 0.010 1.048 1.422 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 18.132 15.361 4.536 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 -2.844 -0.607 1.302 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 3.246 1.350 0.879 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 11.917 36.814 -8.520 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 16.933 -32.927 17.477 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 -1.833 1.131 -0.658 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 -1.089 -12.582 -8.677 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 -1.239 -10.424 -7.181 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 1.779 -1.555 -3.033 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 13.707 3.680 -2.014 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 -5.312 -7.576 0.679 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 -2.879 2.544 1.390 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 -9.715 5.265 17.809 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 4.591 7.301 -14.915 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 -1.217 -5.839 4.875 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 19.074 4.284 21.066 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 -2.510 -7.047 3.581 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 -1.500 -1.711 -1.283 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 -6.416 -1.406 6.786 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 -20.512 -7.192 0.323 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 0.176 0.677 6.825 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 0.291 -17.527 7.569 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 2.934 18.546 -5.300 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 2.024 5.354 -3.742 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 -6.060 6.112 -5.640 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 0.747 -6.070 -8.550 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 3.394 5.006 -3.177 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 6.039 1.656 3.879 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 -7.845 10.744 -16.446 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 -6.452 0.462 -2.948 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 -10.852 -13.430 12.232 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 3.446 0.276 4.933 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 4.767 -0.697 4.150 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 3.157 -9.979 0.081 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 -22.348 0.128 4.437 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 -10.374 3.289 -1.234 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 -12.351 6.018 8.809 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 -0.567 12.842 -0.118 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 0.955 -4.566 -5.178 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 -5.951 -12.241 -8.473 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 2.455 -1.789 7.055 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 -6.551 -5.000 -1.296 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 -2.160 2.351 3.859 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 -17.770 -13.407 0.725 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 3.007 5.771 0.089 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 21.426 -45.284 7.558 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 13.367 -18.085 13.640 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 -1.438 -6.213 -6.594 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 15.547 1.368 -8.351 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 -11.106 3.093 4.260 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 -1.233 3.236 3.813 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 -18.579 1.976 0.909 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 11.903 -6.913 -24.599 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 -5.237 -4.229 -3.653 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 -1.886 -0.408 -8.408 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 -5.754 -8.994 3.964 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 -3.190 2.799 -3.172 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 8.035 -10.115 5.011 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 7.389 18.453 -8.156 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 -5.815 1.989 -0.869 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 -4.820 -0.619 4.322 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 -3.561 1.467 1.762 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 -0.560 -1.209 -0.430 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 -4.236 6.070 -5.846 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 -8.747 1.557 -19.037 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 7.619 0.311 -3.011 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 -7.010 7.318 10.865 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 5.926 3.437 -7.380 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 -2.224 -1.515 5.027 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 22.898 -3.442 5.630 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 19.911 10.514 -2.443 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 -0.448 -0.306 -1.187 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 5.433 -9.900 6.226 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 -9.179 -18.394 -14.992 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 2.051 -1.556 -3.782 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 -0.433 -12.742 -16.343 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 -3.698 -4.946 9.746 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 2.918 1.214 -0.503 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 -19.877 18.570 7.082 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 9.189 -21.027 -9.047 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 3.172 -6.399 -3.692 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 -2.896 -14.546 11.611 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 21.187 -7.312 2.345 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 -4.760 7.621 -10.006 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 -11.503 5.138 -10.405 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 6.031 -3.609 7.846 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 0.333 7.808 1.129 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 4.458 14.664 3.184 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 -2.694 7.317 -6.229 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 -4.517 -1.171 -0.838 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 -2.166 -2.311 -2.981 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 6.547 -5.470 -0.762 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 6.466 -1.853 -0.509 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 1.285 17.121 6.416 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 4.950 3.028 1.027 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 -3.728 1.067 1.136 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 19.901 -12.120 1.281 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 -3.251 -11.623 -13.746 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 0.005 -1.497 -2.116 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 31.585 3.013 25.415 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 -1.989 -5.787 -3.210 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 -2.637 -0.358 0.247 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 -3.088 0.869 -6.340 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 1.517 5.916 3.856 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 -1.641 -5.419 -1.910 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 -5.982 0.662 -16.429 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 13.395 -5.478 -8.084 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 3.147 4.401 0.756 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 -6.424 9.427 -9.224 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 -2.570 8.944 13.368 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 -0.296 2.974 1.394 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 -5.470 5.776 -3.646 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 25.105 7.230 11.801 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 3.961 3.154 2.626 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 -4.783 11.467 7.685 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 12.163 -1.001 -13.698 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 0.684 2.931 4.722 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 8.043 -15.502 14.438 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 3.124 -5.082 8.649 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 -2.222 0.322 -2.932 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 37.449 1.856 -9.894 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 -2.029 -26.329 22.854 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 -2.571 2.808 0.886 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 -14.722 4.086 -4.105 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 -3.306 6.808 13.091 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 1.502 3.558 1.404 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 6.221 11.231 10.049 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 -0.939 1.838 -15.197 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 -0.546 -1.550 -4.846 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 -1.271 -5.843 -2.649 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 1.559 13.219 -10.270 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 -3.869 3.990 -5.315 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 -4.562 16.424 -5.868 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 -17.170 -2.095 2.513 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 -0.895 5.162 -1.801 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 -2.317 12.008 -8.438 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 5.478 -1.913 -6.526 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 -0.584 -0.058 0.072 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 -1.841 0.341 11.107 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 19.327 -7.766 8.887 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 3.371 1.727 5.550 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 8.722 5.825 -10.792 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 3.263 1.764 3.671 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 -6.466 1.674 0.666 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 9.658 -3.046 2.845 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 -2.947 3.611 0.032 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 3.078 -1.129 5.491 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 0.902 -19.703 34.884 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 4.331 2.164 -2.013 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 0.985 -4.228 -1.446 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 32.446 -13.877 6.159 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 1.495 3.754 13.281 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 0.545 4.796 -5.411 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 -5.678 8.464 -7.740 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 23.496 -10.979 10.372 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 1.429 0.514 1.976 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 14.293 4.053 -12.529 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 -3.152 3.033 14.632 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 5.269 1.718 5.260 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 -4.806 -4.701 1.340 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 -11.588 8.876 3.695 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 1.337 -1.766 0.671 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 3.844 5.603 11.838 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 5.610 -1.184 -6.626 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 -0.624 3.560 -2.937 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 -4.647 -2.887 11.830 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 -7.893 24.028 1.651 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 -0.490 1.910 -1.813 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 -7.780 7.903 -12.178 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 0.737 1.312 -0.804 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 -0.559 5.710 2.803 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 10.750 8.597 0.610 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 -10.607 8.180 -6.661 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 6.250 3.635 -4.407 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 24.774 17.153 -25.923 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 7.160 -1.721 -16.705 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 -0.371 -3.280 -5.411 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 16.765 19.583 14.026 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 -6.401 -9.913 -10.553 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 2.230 2.994 -2.559 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 4.832 -4.949 -28.288 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 1.655 14.852 8.337 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 0.745 -0.530 -2.208 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 22.356 13.701 4.800 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 -2.689 -5.228 0.718 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 -0.721 5.857 -3.584 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 -2.743 4.834 9.507 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 -3.174 10.889 -6.715 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 2.884 0.208 5.441 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 -1.445 -9.744 9.013 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 -8.281 -24.131 16.754 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 -1.525 3.400 -4.730 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 0.360 -6.941 -3.190 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 0.732 0.737 0.732 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 0.571 2.402 -7.985 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 -9.885 11.877 -12.471 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 -7.031 -16.416 -10.326 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 -4.877 -1.163 2.541 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 -2.960 21.092 -0.542 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 -7.574 -8.402 -2.214 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 0.976 2.559 0.285 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 -4.403 -2.040 15.455 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 5.944 4.219 -17.941 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 -0.096 -5.052 -2.364 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 -13.003 17.629 -9.895 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 0.305 -6.051 -2.039 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 -5.807 0.538 3.461 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 -17.161 -26.536 -20.980 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 -5.202 -3.896 4.795 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 0.762 -0.611 0.387 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 -10.521 12.640 14.625 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 -1.762 -12.133 -3.357 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 3.621 6.337 -3.837 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 8.189 17.837 -12.631 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 16.081 -23.165 -5.568 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 4.772 6.440 0.440 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 1.217 3.950 4.769 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 -7.734 5.381 1.875 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 0.592 -1.469 -2.532 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 -4.183 -9.560 -21.617 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 -6.645 -6.423 1.919 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 0.607 3.146 -1.669 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 2.854 16.057 7.896 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 -10.363 1.206 -5.500 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 4.659 1.688 -2.017 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 7.544 -0.706 -3.745 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 -0.172 4.885 1.845 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 -4.369 2.901 4.208 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 -1.482 8.505 -1.513 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 6.931 1.480 17.647 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 0.637 1.541 -2.218 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 -6.355 -8.031 -19.863 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 -13.332 -24.090 5.613 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 5.364 -1.802 -5.650 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 -3.612 -7.005 18.780 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 -11.750 -7.190 -18.756 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 2.971 1.934 3.004 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 -0.565 7.300 3.744 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 -0.937 1.574 -5.008 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 4.706 -4.984 -6.859 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 10.849 5.257 9.309 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 1.147 -11.459 -15.613 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 -2.758 5.957 -2.620 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 -3.668 -6.147 -12.487 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 8.039 -11.576 8.551 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 1.634 3.563 0.987 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 13.936 6.255 15.748 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 10.696 -13.811 -5.641 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 10.675 7.405 0.210 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 5.888 0.549 24.971 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 -6.820 -5.604 12.061 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 -0.716 3.709 -3.831 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 9.555 9.748 13.563 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 8.225 -15.571 -9.000 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 1.634 -3.717 -6.590 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 27.855 -4.813 -3.242 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 5.320 -2.011 9.668 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 -2.796 -3.473 -1.678 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 -1.386 -15.005 0.504 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 -4.987 1.226 12.239 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 -6.048 -6.997 -1.266 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 8.585 -10.919 -12.276 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 3.416 -7.954 -4.492 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 -4.783 -3.041 -5.280 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 9.655 -5.879 4.730 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 -7.202 14.718 -2.910 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 1.315 1.086 -2.974 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 -17.244 -7.084 -8.131 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 6.536 5.803 -0.633 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 -0.936 -2.869 -4.074 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 -6.335 -25.416 -16.891 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 16.550 7.721 10.254 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 3.484 2.055 -6.812 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 -18.441 6.263 12.961 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 48.195 12.637 5.245 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 -1.376 -1.354 3.930 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 -4.146 8.333 13.025 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 7.078 -24.291 -17.053 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 0.188 -5.038 -0.116 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 -2.066 20.162 1.616 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 -16.604 -15.646 10.923 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 1.902 -5.559 1.402 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 8.707 4.343 -5.631 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 1.561 -4.467 3.486 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 -4.288 -1.693 -1.216 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 -5.347 -6.003 -0.918 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 -12.000 11.231 -1.155 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 9.237 -2.342 0.794 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 17.939 8.870 -1.601 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 2.384 -4.210 12.449 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 2.623 2.763 -1.985 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 -3.217 8.176 -5.384 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 8.643 7.298 2.421 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 -3.844 4.167 3.950 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 -15.873 -9.137 -9.681 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 7.416 18.172 -3.939 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 3.942 -0.722 4.257 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 -4.573 -5.810 -10.162 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 1.710 -3.132 -13.100 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 1.812 7.329 1.516 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 8.357 -9.091 15.607 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 -12.988 -0.908 3.396 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 0.397 0.687 -3.389 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 -0.571 11.331 17.986 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 14.298 30.523 -0.421 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 1.073 0.266 4.168 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 -10.247 1.028 -4.241 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 8.299 -6.155 4.173 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 -6.862 -1.572 0.809 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 5.207 6.575 -1.478 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 -6.448 3.023 2.021 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 -1.984 0.021 1.680 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 -4.504 2.263 -2.372 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 4.204 13.205 5.265 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 -3.531 -1.028 4.052 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 -26.506 15.568 18.407 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 9.128 -12.822 15.563 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 -3.343 3.305 0.555 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 -8.848 -7.442 19.147 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 -18.375 20.593 -0.612 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 -1.118 -2.909 -1.438 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 0.072 1.020 4.403 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 3.395 -3.473 2.428 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 -3.370 3.943 -6.602 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 -16.262 10.369 0.699 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 4.556 -1.478 5.993 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 -3.675 2.359 7.569 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 -5.454 5.419 -9.344 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 13.591 3.568 10.437 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 0.817 2.789 -4.804 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 -7.731 11.415 -3.146 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 4.789 4.444 -10.263 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 2.470 0.539 4.515 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 -37.133 -14.853 20.014 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 12.240 22.905 -17.922 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 0.161 -4.913 -0.142 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 -7.887 -5.143 0.711 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 5.013 -23.654 9.593 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 1.596 -3.716 -4.051 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 0.472 2.970 -10.976 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 -12.907 -15.782 -18.157 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 1.624 -3.202 2.454 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 3.847 -1.397 8.656 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 -8.254 -24.077 -2.152 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 -1.441 -6.886 1.134 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 16.595 -8.567 -1.501 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 -9.286 -17.187 -11.267 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 -3.353 -3.299 7.149 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 4.210 2.076 16.613 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 -12.789 14.935 -4.071 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 2.299 0.898 -0.887 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 5.045 -19.265 -5.848 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 -28.458 19.597 -3.914 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 -5.953 -4.032 -1.463 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 -2.962 1.477 19.194 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 -12.707 -3.341 1.796 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 -3.328 -3.834 2.224 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 4.119 -1.236 9.802 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 0.987 4.305 -26.977 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 -0.284 3.757 -7.473 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 -1.437 10.040 -7.747 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 6.585 -20.058 -13.895 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 7.144 -1.006 -4.533 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 -10.452 -7.607 5.432 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 10.813 -8.093 6.995 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 1.222 -1.152 -2.040 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 -1.238 6.900 -3.049 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 4.608 -11.498 3.145 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 4.399 1.053 1.351 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 5.065 14.492 -3.655 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 -3.673 2.803 -8.453 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 5.374 4.907 -2.064 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 16.063 6.765 1.304 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 4.561 11.214 -2.632 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 6.089 -3.420 4.550 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 -1.534 -28.000 1.586 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 45.406 -12.173 -21.454 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 -0.455 -3.246 -5.724 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 3.208 -4.772 -10.681 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 -35.970 13.401 -1.586 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 2.229 4.088 0.482 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 -10.790 -6.066 -13.914 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 -4.245 3.048 -4.294 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 -3.011 -0.471 -0.535 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 -3.401 2.756 1.038 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 -6.333 -2.053 1.484 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 3.211 -1.285 3.192 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 -2.939 -8.997 13.921 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 -2.255 -2.177 17.436 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 2.954 -5.981 2.206 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 1.990 7.624 2.665 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 -6.630 -4.514 8.909 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 4.232 -3.294 0.022 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 2.766 4.270 20.058 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 2.899 3.802 16.982 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 -1.389 -6.648 2.751 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 24.807 2.897 -13.327 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 20.496 8.221 -7.498 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 2.909 -6.548 11.941 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 19.631 13.429 9.818 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 13.867 -15.688 3.972 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 -9.282 -5.775 2.952 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 7.867 -13.677 -7.898 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 -13.552 -12.733 20.789 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 1.758 -1.351 -3.418 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 -8.487 11.876 35.215 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 11.137 30.964 -19.884 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 -2.857 2.791 2.204 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 -6.929 -7.732 -1.496 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 -3.683 13.048 -3.494 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 -2.166 -7.966 -0.328 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 8.382 -16.976 -6.155 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 3.460 -10.566 1.689 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 -1.591 -2.254 -2.576 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 -22.877 -4.156 -2.335 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 -3.091 -4.941 10.239 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 4.701 -2.371 2.357 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 10.917 -16.126 -9.495 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 -2.004 16.630 2.609 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 1.236 4.184 0.185 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 7.968 -0.572 8.202 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 10.845 5.914 0.113 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 0.602 1.500 0.461 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 -6.152 -12.452 16.127 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 10.365 -0.267 -2.943 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 -1.300 1.400 -4.466 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 2.681 4.700 11.364 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 -4.191 -5.194 -16.593 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 -0.155 -2.169 -4.824 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 -1.014 8.055 -4.649 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 -9.849 -9.756 -9.625 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 0.528 -6.202 6.129 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 -23.577 -1.666 8.918 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 -7.799 0.444 -9.924 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 -2.617 3.123 -2.916 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 1.540 -17.320 7.175 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 0.822 -10.820 0.177 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 -4.865 -0.194 0.127 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 -3.257 0.155 -1.631 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 2.334 4.645 -7.099 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 -4.123 1.450 3.644 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 -1.464 -0.297 -11.670 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 4.799 10.492 0.364 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 -3.893 1.091 -0.014 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 26.239 -2.096 1.929 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 10.487 0.274 -4.931 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 5.717 0.772 4.122 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 3.800 23.279 -8.656 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 24.970 3.705 -6.338 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 -0.544 2.934 -1.425 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 -5.058 29.164 -17.927 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 1.409 -18.383 -16.536 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 -9.231 -3.701 -2.671 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 -17.651 -3.470 15.638 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 -5.605 9.394 -19.950 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 2.373 -0.387 -0.934 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 -18.603 -19.371 -8.430 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 -8.240 3.998 -10.138 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 0.446 4.392 0.820 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 -7.595 15.685 13.757 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 -3.711 0.526 -0.474 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 3.004 -3.453 6.362 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 -5.472 -8.021 11.753 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 -14.676 -19.840 -9.434 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 -1.785 -2.087 0.802 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 7.210 -4.676 11.589 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 4.964 4.085 9.438 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 -3.177 -2.364 -0.306 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 -1.993 -10.744 2.340 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 4.813 2.405 -22.168 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 -1.790 1.290 -3.663 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 -19.993 6.554 -6.983 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 -7.743 7.119 -13.509 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 -3.627 0.018 -0.418 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 -19.317 12.170 -18.069 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 -16.874 26.747 -4.973 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 -4.574 -1.580 -5.447 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 15.250 -16.256 18.195 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 -1.780 -10.080 5.205 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 -4.043 5.580 -3.483 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 -13.559 10.113 5.288 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 -3.315 6.333 -2.898 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 4.316 -1.965 4.584 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 6.847 -1.022 1.117 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 -0.415 -6.336 9.804 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 4.914 0.868 -4.990 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 4.969 -3.567 -15.876 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 1.435 6.411 30.655 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 4.936 7.231 -3.392 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 -15.814 10.246 -9.845 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 22.847 6.853 30.247 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 4.639 -5.098 -2.916 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 0.344 13.791 18.657 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 26.789 11.852 17.477 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 2.109 -1.398 -0.711 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 -23.684 4.382 4.875 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 -6.436 0.834 -1.293 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 0.022 -0.875 0.634 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 -1.401 -0.225 -1.044 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 -3.574 -11.136 1.737 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 3.765 1.426 -9.254 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 -17.643 17.633 5.606 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 -7.461 -13.452 -12.131 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 3.911 -0.264 2.805 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 -3.440 -8.481 -17.361 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 -13.971 3.722 -4.630 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 -0.393 0.693 -4.960 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 4.563 17.118 -23.537 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 -1.777 -5.246 1.747 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 5.533 0.795 0.642 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 8.964 5.503 -1.074 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 7.186 -15.972 1.277 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 5.575 -2.043 -3.594 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 10.134 -7.541 11.075 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 7.550 -0.605 -16.171 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 -0.958 1.865 1.737 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 -6.295 -16.846 -6.627 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 -9.283 -27.104 8.234 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 1.166 -5.707 -0.294 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 -9.893 -29.743 -2.434 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 -16.423 14.531 8.641 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 -2.947 6.145 2.223 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 3.720 -16.043 -11.743 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 -7.354 -18.138 -3.302 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 0.653 -3.252 -0.395 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 -4.008 -19.325 10.533 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 0.695 -7.402 2.325 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 -1.779 0.722 -6.610 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 -13.769 16.854 1.225 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 18.302 7.946 -4.123 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 -1.263 -6.710 -0.590 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 -4.272 -9.489 1.507 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 -3.179 -4.218 0.106 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 2.460 8.695 0.763 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 -3.848 -3.324 -13.465 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 21.552 -2.712 -22.864 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 2.134 -8.978 2.285 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 9.348 -7.463 6.653 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 -3.094 -4.486 6.590 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 -4.407 -1.048 3.958 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 25.310 0.083 0.492 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 -8.695 -0.615 -2.372 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 0.432 -6.184 -3.085 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 7.476 -1.333 -7.617 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 22.875 -12.225 0.342 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 -8.044 -5.447 8.032 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 -14.788 -10.361 -9.424 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 16.282 -13.906 8.338 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 1.228 -0.545 6.900 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 0.078 2.969 5.276 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 4.549 1.433 -8.281 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 1.970 5.272 0.144 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 4.025 -1.402 14.909 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 -4.911 10.467 5.800 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 1.796 2.354 1.224 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 -18.017 -4.957 2.784 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 6.449 7.794 9.866 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 3.810 3.849 4.165 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 20.985 -3.011 10.629 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 0.351 -5.880 -15.993 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 4.260 9.112 -4.567 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 -14.241 -3.793 0.296 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 -3.962 10.637 -6.643 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 1.315 -1.717 -0.005 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 5.804 -11.526 -1.638 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 -2.091 11.346 1.540 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 -3.679 1.865 8.826 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 -4.010 8.944 -5.645 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 -3.810 6.752 -3.931 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 -0.396 -10.008 -0.016 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 -25.773 2.802 12.100 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 8.644 5.402 1.675 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 -0.069 1.028 4.417 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 4.283 -10.982 4.202 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 -6.930 -6.531 -10.203 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 6.875 1.829 -0.631 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 3.914 7.508 7.974 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 32.234 -12.953 -20.132 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 -3.141 5.198 -2.078 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 -2.883 9.660 -4.194 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 -1.775 33.625 -17.466 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 4.305 0.331 5.994 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 8.200 -11.513 -0.541 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 2.257 4.193 -3.508 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 -7.729 -0.310 0.238 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 1.576 -1.378 1.280 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 -9.872 4.164 -4.042 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 -1.923 -1.739 -0.422 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 5.317 -13.098 15.224 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 12.841 1.859 -23.989 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 -2.970 5.730 -2.894 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 -11.040 12.533 5.926 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 14.839 -12.529 -30.462 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 -2.899 -4.200 2.595 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 -7.050 -2.687 -22.576 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 9.803 16.364 7.326 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 -0.426 5.668 -2.924 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 -1.791 7.847 -0.073 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 -19.170 -30.315 8.413 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 3.726 -0.657 -4.831 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 -5.802 4.147 20.563 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 -2.130 16.173 0.278 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 -5.198 -3.662 -4.454 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 5.573 5.216 -3.471 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 -4.945 -3.283 9.583 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 1.926 1.205 -3.420 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 27.257 13.961 14.540 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 -0.332 17.037 6.028 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 2.405 3.702 1.943 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 -19.447 -17.446 -6.719 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 -5.438 -2.829 -0.888 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 10.417 -2.901 7.196 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 -22.905 29.578 -10.320 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 -4.486 12.191 -1.347 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 -5.112 4.978 2.440 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 -11.348 -9.912 -10.910 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 -5.391 4.164 2.150 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 1.025 -5.987 1.035 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 -5.446 3.714 0.992 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 10.891 -2.253 -4.255 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 5.424 -2.610 4.472 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 -27.904 14.090 -9.239 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 5.018 -0.895 4.693 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 2.561 -0.900 -0.804 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 20.958 -17.222 11.120 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 -9.171 14.734 -9.249 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 -0.503 -5.918 -1.766 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 -6.765 3.648 -15.904 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 5.762 -32.807 -3.811 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 6.180 -2.703 0.470 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 0.318 -2.651 -0.534 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 -1.568 -9.162 11.997 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 -4.506 6.353 -2.353 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 6.776 -4.705 -0.010 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 11.623 10.106 26.211 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 0.344 4.921 0.758 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 -11.212 9.552 14.435 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 -10.103 4.475 -14.087 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 1.369 1.345 0.187 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 9.090 -10.584 -10.950 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 -1.344 3.739 7.133 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 3.722 1.833 2.975 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 8.669 9.738 -6.883 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 -2.358 -3.600 14.975 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 6.360 4.146 0.266 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 -13.728 5.879 0.898 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 5.206 6.291 -13.488 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 0.906 -6.670 -4.727 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 9.009 -16.340 25.494 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 1.549 -1.850 -6.854 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 2.011 -3.272 1.287 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 -3.337 3.884 11.319 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 7.145 -2.174 -2.120 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 11.744 8.013 1.938 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 16.238 3.911 -4.137 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 6.415 13.213 -2.895 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 -7.010 -0.696 -2.866 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 19.827 29.334 36.042 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 4.775 -0.974 -2.383 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 4.419 -2.177 -0.418 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 19.196 -6.532 4.655 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 -0.648 -0.193 -1.624 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 -1.567 -6.393 0.567 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 2.458 1.234 15.023 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 -3.706 -11.766 -0.694 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 5.177 0.752 1.066 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 10.302 33.952 -17.012 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 10.659 -7.552 -0.704 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 -2.712 1.386 4.214 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 6.173 -13.668 -2.412 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 12.045 12.451 5.235 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 5.667 -1.155 -4.731 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 -18.847 -3.813 -25.575 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 -30.968 -5.258 10.630 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 -4.067 -1.509 6.972 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 -17.927 -1.295 -9.257 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 -0.659 2.823 4.305 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 4.616 0.622 -0.856 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 4.674 -5.992 4.620 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 -14.705 23.360 -2.321 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 6.471 -2.218 -3.395 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 3.724 -6.233 -4.781 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 0.005 -9.801 -12.908 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 -5.462 -0.845 -2.357 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 -13.591 15.459 -3.276 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 1.610 26.149 8.436 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 9.733 2.822 -0.023 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 19.132 -9.641 -6.756 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 4.890 -3.665 22.282 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 1.854 1.576 -3.390 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 -6.409 -10.202 -10.600 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 17.386 -17.586 -9.762 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 5.218 -2.377 -1.920 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 3.276 -5.880 -0.641 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 5.940 3.029 -3.594 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 1.603 4.433 2.700 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 -21.081 -11.858 10.047 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 7.928 0.370 9.158 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 -7.950 0.191 3.114 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 -1.858 -5.795 -1.641 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 -3.032 11.807 4.968 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 -2.861 1.191 -3.385 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 -4.512 20.702 -10.745 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 -23.544 -0.517 2.067 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 -5.737 1.764 3.624 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 -6.168 -2.094 2.708 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 -20.607 -6.120 22.150 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 4.698 5.700 3.567 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 7.168 5.374 12.694 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 3.517 7.290 -2.855 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 2.479 2.122 -4.466 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 -13.575 9.876 2.677 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 14.402 14.041 -8.840 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 3.418 -2.315 -4.605 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 0.554 16.267 -16.750 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 1.898 5.429 -5.884 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 4.897 0.108 4.854 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 5.924 5.533 -6.844 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 -14.989 13.885 19.698 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 -6.632 6.007 -1.927 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 -1.807 19.600 11.937 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 -6.931 29.560 -5.781 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 5.428 -1.622 4.237 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 -2.932 -38.228 -1.098 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 0.903 18.258 -3.286 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 -1.966 1.687 -3.306 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 9.649 -1.123 7.568 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 -3.771 1.406 -1.374 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 2.642 2.434 7.409 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 13.974 9.283 10.960 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 -7.131 0.302 6.823 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 -3.926 0.829 2.832 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 -11.495 -0.117 13.160 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 11.566 -2.048 7.471 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 -2.998 1.349 -0.848 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 -0.881 -9.261 4.439 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 9.359 -16.473 -15.770 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 -0.255 1.817 -1.640 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 2.606 21.760 -5.229 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 1.067 2.407 13.500 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 1.500 -0.339 -2.388 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 2.951 2.459 2.276 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 1.596 1.325 -0.655 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 4.914 1.550 -1.673 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 -5.400 12.402 -5.086 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 0.041 14.307 -10.364 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 -5.197 -0.364 6.263 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 -22.682 -4.822 -8.082 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 -3.340 7.044 -4.486 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 -0.035 -2.595 -0.791 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 -5.245 -7.088 19.204 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 23.277 3.508 1.930 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 1.953 1.775 -1.814 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 1.306 3.201 -10.465 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 -5.629 -0.124 1.400 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 0.092 -1.042 -5.323 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 -10.350 -11.138 13.693 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 4.824 7.671 -8.919 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 -2.041 0.465 -4.704 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 -0.211 11.036 19.660 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 1.883 1.670 -9.319 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 -0.445 -2.507 3.508 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 5.484 -3.286 2.254 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 1.210 -3.174 18.537 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 0.827 -0.671 1.343 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 3.205 -2.595 6.099 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 16.015 27.752 -26.195 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 -4.843 4.237 -3.785 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 12.811 7.378 -19.176 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 -1.938 -8.075 -13.703 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 -0.942 7.278 6.771 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 -17.337 18.534 -0.969 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 -7.118 33.275 15.642 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 0.905 5.682 3.708 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 18.947 6.744 -12.197 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 14.791 5.879 12.786 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 -0.813 -1.685 -8.471 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 7.960 -11.947 -14.308 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 -5.236 -5.470 3.649 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 2.031 -0.506 -0.853 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 -16.672 -8.080 14.857 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 -0.277 36.016 1.179 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 0.208 5.476 -1.369 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 6.182 2.663 -2.219 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 -3.455 -12.174 13.647 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 -2.199 4.124 4.450 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 11.054 15.031 -19.190 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 5.500 9.071 -5.416 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 3.243 -0.366 1.844 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 12.082 12.190 20.576 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 2.801 1.234 2.465 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 -4.172 0.498 -4.144 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 27.058 20.141 -16.614 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 4.935 -1.241 1.092 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 -4.381 -3.768 0.323 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 27.872 6.043 -0.772 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 -6.102 -1.053 4.186 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 2.645 1.487 -0.088 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 14.735 -7.874 -10.199 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 7.977 -9.022 -7.060 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 -2.968 -1.855 -1.117 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 -6.184 22.592 -10.969 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 -0.196 -18.210 15.628 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 -0.334 -0.208 0.919 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 -15.272 -5.372 13.960 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 -27.050 -14.041 -14.706 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 -3.665 -4.744 3.189 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 -2.244 -12.221 8.053 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 -6.583 -12.746 1.599 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 2.664 -0.251 2.895 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 12.226 -3.115 3.223 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 0.689 1.196 0.866 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 -2.249 6.838 1.412 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 22.728 13.345 -11.138 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 -9.287 -1.624 11.420 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 0.400 -0.813 -3.698 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 3.316 -6.585 -1.590 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 11.447 6.788 -17.189 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 -1.938 5.875 -5.114 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 6.576 -9.335 -11.331 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 15.182 -29.488 39.624 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 3.941 -0.275 9.350 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 -7.003 -25.476 -0.297 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 -3.228 -10.611 -0.784 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 6.859 -1.074 1.542 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 -11.917 8.503 14.851 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 -3.106 -4.374 -6.334 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 -2.742 -6.268 -0.954 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 26.390 -2.768 0.378 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 -23.250 4.950 -0.936 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 -1.880 -3.131 -2.995 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 -11.719 -12.557 -1.557 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 4.225 -7.519 -11.011 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 -4.135 5.455 0.721 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 -15.719 -3.166 6.428 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 5.909 11.652 -2.609 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 -1.715 -1.901 0.855 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 14.422 5.742 -7.832 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 -29.792 -11.802 6.830 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 2.972 1.205 -8.088 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 0.186 -4.410 -6.840 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 5.254 3.167 -3.467 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 -4.872 5.872 -0.770 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 -14.027 7.236 -14.285 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 -4.666 -10.429 10.384 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 -3.473 -12.952 0.352 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 -14.938 -14.152 4.722 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 5.571 -7.179 -6.243 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 -0.646 0.181 1.594 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 -1.141 -21.399 4.545 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 6.389 9.162 -6.756 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 -3.291 3.539 -0.081 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 -6.586 10.389 -3.933 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 -2.071 -1.201 4.834 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 -1.285 2.837 -5.795 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 -7.513 -14.927 11.085 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 22.534 13.839 2.882 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 0.504 4.355 -3.156 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 10.220 -2.706 -2.201 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 1.775 11.258 -2.322 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 -2.026 2.101 0.988 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 -5.825 3.632 4.979 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 6.607 -10.574 -2.548 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 -2.178 -1.375 -8.516 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 -9.693 11.206 -7.223 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 -5.625 2.029 -14.438 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 -2.178 -3.760 2.618 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 30.249 -10.419 -14.594 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 -20.508 3.144 22.777 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 4.502 3.916 2.472 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 0.344 -0.863 20.321 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 28.073 9.947 -1.142 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 -4.735 3.465 -3.989 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 3.098 1.473 4.606 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 -13.239 3.965 -1.337 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 -1.107 -0.608 6.480 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 -12.472 -7.948 -6.667 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 -18.611 -3.781 9.507 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 3.426 5.970 -7.316 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 17.877 10.389 -51.739 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 -32.962 24.687 3.429 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 -3.702 -3.230 2.112 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 8.570 -9.874 -8.183 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 13.952 -1.564 10.115 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 -1.381 -0.051 -4.764 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 -21.293 -0.859 8.504 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 4.555 12.038 5.582 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 -6.137 -1.432 6.182 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 -13.145 4.887 -7.958 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 -10.334 2.094 0.036 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 -6.523 2.023 2.311 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 22.807 -11.435 3.090 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 -5.821 25.674 25.586 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 -3.494 8.620 -4.174 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 -10.074 -8.546 5.450 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 1.681 4.004 -3.639 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 1.619 -6.467 -6.752 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 -3.098 -27.710 6.985 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 -14.683 -11.475 -9.967 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 -2.045 -7.661 4.958 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 16.384 -8.376 -3.414 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 -6.503 13.533 4.917 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 0.023 -2.439 1.369 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 9.040 -14.998 5.003 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 -10.708 0.669 17.294 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 0.662 3.717 -2.150 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 -4.546 -18.347 -8.443 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 1.320 -5.216 -15.448 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 2.304 -6.477 4.304 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 -10.552 10.934 -9.480 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 0.495 -4.719 2.836 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 -10.060 -5.791 -1.746 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 -15.436 -14.635 -15.129 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 -10.186 -2.319 1.260 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 -1.978 -0.195 -3.586 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 -35.955 -6.406 -1.211 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 -8.991 1.190 3.746 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 -1.686 3.951 0.556 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 4.033 9.964 -2.693 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 -18.975 11.522 -17.515 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 4.713 2.559 3.705 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 9.889 4.880 -0.174 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 4.643 6.605 6.868 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 -6.013 1.049 -3.019 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 -0.748 2.273 9.373 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 10.326 -17.787 -15.936 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 0.053 3.691 2.877 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 -14.070 7.267 -18.268 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 22.634 7.002 5.148 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 -6.839 -5.189 0.175 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 6.456 30.359 8.835 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 1.994 12.092 -8.083 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 -1.987 -0.489 -1.026 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 -10.600 8.366 13.262 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 5.164 4.023 21.852 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 -2.295 -2.444 0.225 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 -1.088 14.862 -7.128 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 -22.906 -13.422 3.386 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 3.157 0.265 -0.169 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 -17.136 2.324 -6.054 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 -1.803 -3.485 3.074 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 5.787 -0.071 -5.135 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 -3.827 -5.628 -1.510 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 5.894 2.909 5.657 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 2.833 5.262 -0.994 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 -3.096 15.508 8.519 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 -12.083 3.840 -13.630 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 1.421 -2.999 1.078 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 0.889 -4.197 0.553 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 -1.152 -4.219 -1.412 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 -5.119 -1.565 -1.398 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 -12.744 10.542 0.033 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 -10.499 10.683 3.559 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 0.019 10.752 2.612 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 -4.428 2.640 -9.271 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 0.033 4.953 -19.996 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 5.116 -5.740 3.308 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 12.086 9.448 10.427 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 4.719 -15.700 -9.478 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 4.768 2.506 1.584 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 -16.222 4.647 6.577 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 -8.242 7.102 -14.204 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 2.891 0.559 3.540 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 -4.161 -3.577 -4.633 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 13.212 -4.877 -0.083 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 -6.021 -3.640 -2.135 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 -6.817 42.607 -3.404 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 7.231 7.351 -5.267 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 2.796 -2.727 2.038 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 1.824 -3.888 3.603 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 4.534 -0.738 1.696 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 5.415 0.346 5.001 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 -7.338 -10.037 12.116 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 4.250 -1.196 5.290 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 7.059 0.742 -0.414 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 -17.103 7.062 -0.726 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 -18.379 10.356 -2.992 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 2.052 0.523 2.620 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 15.514 10.095 0.225 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 -11.397 -4.533 -15.815 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 1.309 -1.856 -4.971 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 5.848 -6.283 -7.066 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 5.133 -5.358 -5.860 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 5.766 1.224 -2.089 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 -5.251 -24.927 9.165 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 -19.768 17.606 -10.418 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 4.549 1.806 -2.965 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 4.758 3.791 -6.045 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 -7.639 -8.346 30.866 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 -5.161 2.584 1.169 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 -11.018 0.406 9.162 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 -15.222 1.904 -5.676 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 -0.433 -3.834 6.268 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 -8.851 -13.295 -4.872 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 7.308 7.901 -11.106 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 -1.615 -0.276 3.172 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 -4.242 -10.267 0.222 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 -1.069 3.040 2.054 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 -5.349 -0.536 0.264 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 -1.150 -10.603 -6.284 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 8.995 11.788 -3.656 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 -1.779 -0.556 -4.073 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 -1.163 1.624 5.297 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 9.384 14.061 -8.337 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 0.204 0.307 -4.576 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 0.313 -1.067 -3.016 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 -15.711 8.945 -2.956 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 -1.779 4.156 -8.986 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 15.144 13.724 6.422 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 -3.788 3.940 -4.030 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 -4.281 -1.822 1.076 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 0.076 0.330 0.063 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 -10.163 -4.280 -1.168 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 -3.112 -3.333 -5.002 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 -3.401 -1.052 -3.688 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 1.052 -12.309 -11.307 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 6.961 -7.080 3.308 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 -4.535 -9.556 8.361 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 -2.453 0.989 0.220 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 -1.379 -11.974 -3.664 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 -4.534 -9.179 -6.572 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 -3.070 -13.065 -6.955 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 -6.383 -1.526 4.280 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 -37.536 11.572 -1.698 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 -12.045 -1.418 0.307 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 -7.074 -3.689 -1.307 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 2.165 1.892 8.748 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 -2.296 46.513 3.716 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 4.428 0.517 -3.838 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 9.335 3.596 -0.481 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 -16.265 14.948 -20.004 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 -0.671 1.618 1.111 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 2.996 20.765 2.309 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 -5.615 -23.327 0.139 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 -9.720 -2.441 -0.635 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 15.845 2.260 -4.877 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 17.513 4.555 -7.613 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 1.472 1.582 4.045 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 11.227 2.943 2.256 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 33.488 12.603 2.061 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 -4.665 4.695 -7.469 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 6.410 18.595 -10.275 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 7.389 5.260 -1.997 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 1.191 5.709 1.682 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 11.819 -9.037 -6.876 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 6.110 -8.943 14.417 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 -1.582 0.517 -8.227 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 -8.658 14.989 -9.828 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 -4.924 10.067 -8.806 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 6.045 0.210 0.035 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 1.899 -7.209 -8.886 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 2.211 -0.089 -4.009 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 -3.497 -5.700 4.267 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 -4.039 4.872 -12.174 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 -9.774 -5.783 3.046 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 -1.383 -0.746 -0.084 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 0.385 1.961 10.397 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 -1.184 -8.192 10.512 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 0.406 -1.296 -8.405 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 7.523 5.789 -24.013 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 -10.036 -15.633 -13.426 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 -9.424 6.769 4.145 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 -3.532 14.811 17.331 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 6.696 -11.633 -35.647 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 3.526 -5.568 -3.394 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 -1.451 4.971 11.309 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 6.872 -2.566 0.277 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 4.720 -3.115 -0.646 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 -6.224 3.098 12.734 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 -6.228 -12.895 -6.054 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 3.207 8.898 -0.522 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 0.097 -2.525 11.938 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 2.164 10.168 1.623 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 7.516 -6.682 -1.012 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 -2.015 7.421 -10.391 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 21.018 -13.841 -22.063 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 -4.719 -3.837 1.365 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 -1.865 -12.007 7.108 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 -11.568 -4.058 9.603 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 -2.557 -8.077 2.562 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 -13.898 9.146 8.592 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 13.148 2.218 5.934 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 2.777 -0.995 -0.332 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 9.264 -3.004 -0.651 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 -15.865 13.275 -8.056 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 3.464 0.387 10.794 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 13.118 9.389 6.008 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 -3.207 -0.824 1.231 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 -8.636 -6.170 1.464 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 4.984 5.468 6.429 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 -18.215 -12.577 -1.424 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 3.833 -0.741 1.901 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 -8.057 -12.380 22.418 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 14.758 21.819 -31.153 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 -0.198 2.425 -1.042 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 -11.992 21.509 -6.660 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 -1.733 -18.440 -17.165 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 -2.090 -0.475 -2.700 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 -1.953 -0.350 10.955 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 -16.742 -2.663 11.951 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 0.906 0.684 0.351 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 0.500 -11.202 -31.546 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 -25.499 -11.853 11.276 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 -5.832 7.247 8.002 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 -4.062 -18.915 0.234 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 35.188 12.043 17.535 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 -0.305 6.715 -4.758 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 3.521 -3.627 14.238 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 9.749 -6.931 -17.173 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 0.396 -4.879 3.399 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 2.284 14.179 -4.260 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 -8.038 -25.525 -18.937 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 4.664 -1.342 3.401 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 5.600 -0.838 3.842 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 -8.907 -22.571 -1.799 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 -4.242 -2.598 -4.654 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 -3.927 16.314 -19.351 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 17.718 -0.783 3.454 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 -11.271 0.877 -1.119 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 7.890 12.124 -41.358 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 -20.278 -4.067 8.260 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 6.828 -1.249 4.722 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 3.049 2.143 1.616 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 8.593 -2.026 7.098 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 0.524 -0.829 -2.230 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 1.462 -8.290 13.689 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 2.669 1.734 -16.314 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 2.966 1.270 -0.886 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 14.155 -5.621 24.044 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 17.428 9.317 -3.888 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 0.349 -0.446 4.286 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 4.076 10.817 11.322 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 -1.418 -7.289 -1.933 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 9.565 -2.818 -1.632 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 23.965 2.628 13.172 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 -3.302 15.932 1.584 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 -0.957 0.263 -0.909 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 13.157 3.393 1.392 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 -4.958 10.121 -6.646 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 2.271 -1.244 0.777 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 -12.267 0.962 -4.393 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 -2.358 -17.312 -8.558 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 -3.882 -4.821 4.181 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 10.772 4.860 17.398 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 5.520 -7.580 -12.309 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 3.449 4.034 -1.969 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 -19.956 2.763 3.120 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 3.938 29.421 -7.246 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 -0.839 5.801 1.654 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 7.798 1.041 -36.147 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 -2.385 -8.156 9.883 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 -0.184 -0.119 0.854 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 10.792 5.863 17.610 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 -3.965 1.911 12.385 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 0.677 -5.155 0.939 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 24.803 -26.407 7.010 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 5.794 4.180 -29.858 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 2.437 1.985 -0.340 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 5.060 0.254 -0.494 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 -6.909 2.013 6.958 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 -4.201 2.513 0.882 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 24.545 3.029 21.022 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 4.656 30.147 -4.636 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 2.474 0.182 7.073 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 10.136 1.736 13.942 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 -2.103 -4.080 -2.822 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 -0.690 2.219 1.671 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 17.797 -4.065 8.839 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 -9.634 1.537 -15.150 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 2.830 -7.476 -4.699 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 3.969 10.563 -4.649 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 -15.161 -5.159 -10.687 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 -1.283 -3.730 1.249 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 3.378 -9.403 -16.432 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 14.492 6.014 3.479 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 5.139 -5.620 6.220 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 -8.769 -0.235 2.534 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 7.197 2.625 9.512 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 -1.217 -0.160 -3.194 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 -0.198 -1.173 -4.537 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 -0.670 -0.245 0.433 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 4.920 -1.232 -3.726 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 12.364 -12.827 4.603 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 5.247 -0.780 2.635 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 -4.792 3.218 9.395 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 -1.098 2.291 7.895 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 -4.755 5.365 20.124 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 -1.222 7.231 6.019 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 2.010 -1.661 11.646 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 -10.625 11.765 36.297 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 -1.742 2.099 0.348 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 3.528 3.151 -0.264 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 -4.406 3.691 5.791 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 1.628 -1.112 6.585 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 9.885 -4.379 4.736 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 1.729 16.531 13.109 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 -1.476 -6.187 1.445 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 1.804 -9.602 12.736 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 -3.619 -17.063 -5.047 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 3.214 1.543 6.011 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 4.420 0.512 4.676 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 1.867 1.426 6.108 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 -2.329 1.659 2.916 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 -7.868 10.366 -11.555 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 -8.121 4.871 -16.787 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 -4.822 -0.368 -0.004 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 4.308 -0.611 7.441 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 -7.832 12.480 2.444 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 -0.027 -8.952 2.412 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 -3.302 -23.767 -22.307 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 -20.303 4.475 15.973 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 3.845 4.606 3.729 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 -2.918 12.461 9.811 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 0.999 -1.918 2.568 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 -0.828 1.543 5.528 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 -8.409 6.008 3.351 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 5.123 -9.534 -8.504 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 4.585 -3.649 3.155 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 -15.954 -20.561 8.095 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 -9.204 19.677 -0.489 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 -1.586 -0.650 -3.415 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 -1.048 -4.525 -5.916 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 -5.253 -11.722 -6.044 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 -1.660 2.763 -6.902 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 -2.726 3.271 -5.100 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 -9.234 21.079 4.437 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 -3.595 0.246 -1.687 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 2.895 -6.662 2.000 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 -2.979 -2.679 -5.998 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 -0.250 -4.386 5.471 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 -13.683 -4.752 -13.644 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 4.599 -13.417 -7.690 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 -4.237 3.323 -2.730 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 -7.792 -9.285 -8.800 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 -24.358 3.886 1.939 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 5.912 -5.423 0.722 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 8.059 4.605 5.276 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 6.362 -12.384 11.681 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 1.291 -1.290 -3.990 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 3.379 -1.743 -3.392 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 28.823 -1.256 -8.878 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 5.174 -1.819 0.453 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 3.064 4.451 1.794 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 9.024 7.631 -2.276 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 -5.045 1.443 3.087 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 0.430 -26.817 -28.225 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 26.636 4.448 21.815 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 0.456 6.510 0.141 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 14.776 11.248 -12.002 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 -4.246 6.442 6.422 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 2.038 5.322 -3.871 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 6.719 7.641 -11.187 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 10.527 -0.949 10.017 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 -0.262 3.155 -9.506 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 2.925 -5.452 -5.091 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 1.290 4.476 -16.753 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 -4.096 -1.666 -4.735 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 -14.738 -18.655 8.711 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 -15.086 -18.900 13.921 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 1.695 2.661 1.797 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 13.277 6.647 27.165 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 -5.513 17.038 -12.022 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 3.871 6.143 5.603 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 -19.847 -13.297 -8.082 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 10.241 10.653 9.046 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 5.557 4.647 -5.827 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 -23.460 -41.674 4.910 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 26.014 14.094 -14.541 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 -2.171 -2.424 -3.159 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 9.958 8.542 -0.763 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 -8.365 -13.426 -3.282 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 -1.225 -3.026 -0.156 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 8.750 -42.137 16.355 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 -3.675 19.979 8.687 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 3.666 1.730 2.839 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 -12.666 20.023 6.750 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 11.328 -9.362 9.641 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 -3.647 -0.081 0.931 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 -17.649 6.280 -0.471 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 -14.556 7.208 -0.837 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 1.391 1.124 0.026 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 13.235 4.781 9.014 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 -31.299 -6.195 -1.703 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 -5.172 -0.065 4.108 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 5.690 -11.939 -9.431 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 -16.459 -14.134 -1.369 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 3.697 2.432 -4.704 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 9.460 -14.348 -3.992 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 -2.482 14.518 -4.773 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 2.179 -0.402 -4.495 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 -13.756 -3.252 3.006 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 -16.984 -11.239 -5.183 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 2.388 0.062 -7.785 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 1.521 3.242 -8.091 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 6.846 -15.188 -10.365 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 -3.494 -7.465 0.996 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 -9.670 -11.220 9.595 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 2.408 -3.705 -1.136 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 -2.192 0.657 7.084 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 -12.275 15.847 -10.467 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 -4.284 -46.188 4.501 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 6.165 -0.210 2.194 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 15.278 -9.974 4.745 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 9.369 1.556 -1.759 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 2.519 -3.596 1.339 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 -19.024 -9.902 25.398 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 2.607 -12.987 -11.281 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 0.219 -5.621 -5.961 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 -10.364 -9.153 2.938 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 -13.065 0.478 -11.197 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 -8.937 4.104 -0.534 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 -9.936 0.573 0.048 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 -3.405 0.694 -5.248 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 -0.083 -2.823 -4.751 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 -21.153 -6.824 -7.772 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 4.616 6.884 -10.787 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 -2.587 -4.989 -2.018 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 -4.559 -6.428 -6.271 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 -6.930 -7.708 -12.113 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 -6.023 5.259 -0.663 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 11.995 -18.878 -5.709 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 21.925 2.221 -13.200 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 4.557 -5.697 -3.130 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 -1.122 -11.912 -19.432 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 20.085 2.566 -6.520 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 5.280 0.479 6.315 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 3.978 -26.318 8.424 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 17.246 19.499 -5.650 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 -0.101 0.418 0.035 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 -11.079 -10.167 1.890 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 4.265 -2.041 16.102 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 -1.013 -6.944 5.221 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 -13.244 4.677 -14.050 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 -2.947 -11.092 -32.098 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 -2.793 1.119 -3.660 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 7.074 -10.632 -10.252 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 -8.612 3.683 -17.770 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 4.241 10.056 -2.575 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 -2.278 -0.779 3.703 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 13.250 15.814 2.724 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 2.652 5.077 -7.870 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 1.141 -1.997 5.482 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 9.539 -8.625 -21.297 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 1.752 -2.972 -12.318 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 4.367 0.073 -13.407 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 -1.625 -3.227 -12.290 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 -1.659 -0.106 0.267 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 -7.149 -13.963 -15.077 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 4.925 17.926 19.762 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 -1.089 7.327 1.711 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 -14.768 -3.392 2.018 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 -16.350 -11.865 2.780 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 -2.021 2.203 -2.776 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 -5.851 -24.949 -28.433 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 -50.000 -1.137 8.726 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 6.632 2.806 -0.859 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 -10.770 8.837 -14.540 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 7.709 -19.918 -2.473 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 2.398 4.990 -5.655 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 7.776 -16.601 4.898 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 4.520 3.941 20.608 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 -3.237 -1.508 4.205 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 -7.658 2.297 3.973 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 7.955 -10.903 6.482 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 2.583 -9.123 -1.190 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 -11.962 14.709 -16.466 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 -4.600 11.504 16.599 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 -2.782 -2.397 3.569 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 1.727 0.054 4.840 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 14.419 10.796 4.459 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 0.470 1.416 4.749 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 0.660 1.208 5.916 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 -2.620 3.977 6.473 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 4.551 2.232 -5.857 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 3.577 -10.223 0.980 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 -0.838 6.403 -5.404 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 5.261 -1.134 -2.711 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 -16.143 -1.961 -0.738 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 -9.185 -1.310 -1.522 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 -2.236 4.268 -0.493 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 -1.502 1.299 6.524 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 -0.173 -1.948 16.873 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 -3.647 5.660 -1.249 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 -14.431 7.796 -7.091 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 5.490 10.745 -6.582 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 3.408 6.925 -1.715 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 8.027 22.368 -3.863 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 5.831 4.945 18.314 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 0.995 -1.930 -8.908 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 -1.964 4.844 -9.598 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 -0.734 22.754 -8.326 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 -2.716 -3.418 -1.797 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 -12.427 23.817 -9.363 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 -2.936 -5.192 22.758 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 -3.394 0.530 -0.101 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 5.123 8.038 -9.897 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 3.682 -20.443 1.633 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 -1.228 -7.831 -0.215 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 7.208 2.642 1.881 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 -12.817 11.836 20.432 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 -6.002 -0.486 1.429 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 5.167 5.486 -3.557 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 -14.803 -17.445 1.988 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 -3.122 3.071 1.541 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 -0.799 28.799 -14.342 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 -3.757 1.938 2.164 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 -1.280 1.915 2.484 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 0.384 -0.168 2.327 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 17.608 -15.329 3.941 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 -2.671 -1.379 1.861 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 -8.052 -9.834 -1.442 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 -4.651 1.003 -6.878 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 5.837 1.788 -1.629 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 -3.881 -18.659 -2.241 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 -0.676 6.002 -29.041 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 5.841 -1.673 -3.788 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 9.366 10.754 7.369 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 -2.021 3.882 6.419 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 1.311 -4.076 -1.950 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 14.808 1.388 2.769 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 -4.332 0.683 -11.638 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 -5.702 1.689 1.751 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 -28.420 8.848 -6.760 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 2.357 8.021 2.585 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 5.718 6.596 0.261 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 0.705 11.587 4.673 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 5.602 3.415 13.119 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 2.815 5.529 -5.115 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 -3.109 5.132 8.491 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 17.558 -11.962 -20.946 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 3.551 4.232 6.046 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 0.051 11.368 33.121 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 -4.176 -9.698 -19.275 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 -3.224 -0.892 0.047 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 -11.656 4.789 -10.808 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 -12.139 5.863 -8.004 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 5.814 2.382 -0.989 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 -2.503 11.336 -3.630 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 9.865 10.533 2.172 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 4.193 6.727 -0.804 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 8.507 10.604 -24.646 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 5.302 6.738 -15.522 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 2.188 1.541 1.109 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 2.472 -14.920 -1.224 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 -4.737 0.074 15.263 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 4.356 1.714 -0.610 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 29.846 7.224 -6.858 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 21.798 1.018 -6.892 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 -1.961 -1.940 -4.503 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 -11.245 -10.321 5.882 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 0.460 -2.414 -4.022 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 0.611 2.854 -6.678 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 -6.442 15.310 1.422 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 -11.308 -10.291 13.677 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 -3.198 -3.655 -2.387 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 -25.389 -26.235 6.536 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 -23.341 -2.896 -29.743 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 3.828 4.593 5.823 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 13.033 -25.506 21.141 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 25.419 -2.328 9.479 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 4.242 -2.867 0.802 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 -5.031 2.819 1.619 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 -9.584 -7.938 -17.545 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 -1.101 2.628 -4.923 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 -3.887 3.705 -7.233 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 -11.563 1.609 14.984 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 1.488 -3.173 4.025 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 -3.877 -14.764 6.884 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 13.179 -2.405 19.587 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 -3.238 5.974 -1.589 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 9.018 11.932 -5.742 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 -1.710 5.110 -15.645 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 -9.165 -8.393 -0.641 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 -5.858 -3.596 -5.843 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 -8.544 -4.882 -5.847 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 1.913 -0.123 5.683 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 7.150 -9.377 6.349 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 26.417 -25.135 12.933 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 2.099 4.476 8.960 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 1.688 8.833 10.146 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 -15.170 -0.430 3.953 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 10.288 3.974 -1.468 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 16.302 -9.261 6.289 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 -4.896 -24.123 35.289 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 -1.219 -0.802 -0.767 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 9.766 10.356 -24.261 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 -33.797 8.056 3.506 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 -5.144 2.074 4.224 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 -7.192 2.550 -12.138 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 -7.291 4.404 -10.284 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 2.999 -7.281 3.196 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 14.240 -1.939 15.622 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 -11.874 17.565 10.969 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 4.650 -3.542 -2.145 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 -3.505 -15.874 -9.235 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 -1.148 -0.427 4.292 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 4.435 -1.912 -2.971 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 17.925 -5.173 5.101 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 2.373 16.079 7.489 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 5.002 -2.354 -1.791 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 21.064 -8.714 -12.889 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 -4.650 1.119 5.231 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 1.880 -2.999 -1.057 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 6.524 -4.203 -9.390 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 -5.751 19.011 -37.569 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 7.105 8.401 1.889 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 -3.398 -6.966 -3.270 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 -8.432 -1.081 -10.454 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 -1.791 -0.642 -7.746 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 -3.240 0.597 -8.429 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 3.093 4.529 -4.300 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 -4.073 -10.464 -3.047 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 6.846 4.377 -1.000 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 -4.038 -10.285 -1.680 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 6.104 -4.830 -2.840 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 -15.533 -6.349 -5.632 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 12.712 10.397 -17.599 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 4.194 -5.773 5.144 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 -16.492 16.984 13.840 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 12.911 -16.625 -1.587 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 -0.699 -2.144 -0.249 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 -12.925 -0.415 7.840 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 8.272 6.736 -2.601 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 1.043 1.364 4.456 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 -8.559 -9.155 5.689 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 15.762 3.470 18.646 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 -1.997 -2.871 -3.303 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 -8.739 -7.713 8.072 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 12.643 1.112 -17.337 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 1.168 -4.600 1.938 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 -10.805 -10.939 -7.243 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 -2.467 -1.260 7.479 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 0.438 3.696 -7.845 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 18.574 14.288 -3.509 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 8.539 -2.295 -23.245 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 1.179 -1.956 -1.850 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 12.285 0.885 11.792 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 5.381 4.399 3.748 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 -2.283 -2.795 4.575 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 14.914 -24.256 3.937 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 -5.754 6.165 2.234 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 -0.068 -6.144 -0.360 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 -3.778 -4.409 -0.714 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 -4.615 10.957 -7.566 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 -0.530 0.588 0.991 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 4.498 -1.066 4.005 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 14.915 -1.440 5.338 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 -0.993 -1.681 2.807 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 -3.489 -5.085 3.020 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 -2.460 0.309 6.532 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 -5.152 1.458 1.670 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 21.764 12.063 16.618 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 -9.876 1.540 1.331 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 -5.383 4.807 1.862 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 -0.999 2.920 -6.051 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 -7.990 7.487 -15.466 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 -9.570 -5.621 1.543 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 -17.991 15.367 -6.288 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 -5.030 1.978 21.213 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 0.561 -1.311 -1.434 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 11.368 -5.182 4.395 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 -4.178 16.132 -8.801 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 -6.671 -6.464 7.118 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 -2.277 -10.935 -0.184 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 -3.504 5.845 -27.876 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 -1.910 -1.072 2.020 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 3.631 0.919 -5.081 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 11.936 -9.147 -15.407 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 -0.035 -0.786 3.394 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 -5.351 -4.514 1.192 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 5.780 -5.178 -11.146 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 2.888 2.241 1.927 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 -19.729 1.020 -0.195 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 2.774 3.808 -15.129 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 2.320 -4.957 -5.136 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 0.246 -21.673 36.013 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 3.258 -2.249 2.561 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 -5.511 -4.369 0.783 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 -2.245 7.995 -6.192 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 0.788 -8.734 10.779 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 2.928 0.786 2.987 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 25.441 -1.534 8.695 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 -6.203 -6.678 51.250 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 -4.416 1.687 1.031 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 -3.409 5.536 1.233 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 -7.059 -4.639 -12.534 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 -4.532 -2.011 -1.711 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 -16.348 7.998 -18.784 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 6.097 -11.238 -6.474 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 -6.267 0.031 2.106 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 0.033 -1.746 20.906 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 -2.406 -5.673 -4.843 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 5.889 8.474 -2.899 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 6.556 2.396 13.925 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 20.772 -0.305 -12.249 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 5.953 1.172 -3.306 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 4.594 -5.062 -15.489 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 4.316 -7.012 -19.179 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 -2.044 2.828 -6.360 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 -29.205 -18.428 17.830 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 28.892 -7.980 0.365 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 -4.400 1.067 2.879 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 9.106 3.273 -3.138 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 10.801 7.182 -8.639 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 1.883 -2.534 -0.078 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 4.364 -20.210 15.086 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 -3.133 -13.534 -20.120 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 -1.750 -4.354 -1.627 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 2.681 -16.674 -0.722 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 -0.597 -5.889 -2.721 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 0.136 3.898 -7.351 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 21.523 -4.401 -4.845 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 -14.560 4.771 -12.172 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 -4.561 -0.708 2.821 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 -14.006 -0.108 30.302 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 12.040 4.801 9.037 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 5.223 -8.663 -1.105 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 -12.726 -5.113 5.967 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 -15.667 -7.851 6.573 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 5.690 1.092 5.645 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 2.641 -18.063 1.471 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 17.017 8.135 -9.539 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 -0.244 9.156 0.490 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 -5.297 4.505 -7.623 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 6.755 8.731 -1.143 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 2.038 1.219 2.830 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 -12.154 -2.225 -18.250 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 2.982 -7.022 -9.577 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 -1.385 0.456 5.000 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 -3.387 7.747 8.215 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 -1.557 -13.256 -4.887 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 4.879 0.842 1.788 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 -0.267 1.442 -9.812 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 -3.591 -6.081 10.722 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 -6.947 5.232 -0.389 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 -22.511 9.781 -1.137 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 -14.083 -7.521 14.080 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 -2.932 -1.675 -3.124 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 1.820 4.513 -3.117 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 -11.288 5.714 -1.373 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 1.763 7.756 -3.207 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 -1.806 -19.497 -3.865 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 0.441 1.776 2.572 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 -2.587 2.263 -5.448 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 -4.877 2.260 -8.636 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 -3.536 4.320 3.027 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 -3.000 -3.945 2.249 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 3.161 -25.816 -4.336 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 7.640 6.910 -10.818 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 6.454 -2.681 2.661 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 0.859 -2.404 7.273 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 23.105 -0.477 -7.889 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 -6.492 2.807 -1.907 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 -4.361 4.288 4.713 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 -3.794 2.229 -0.029 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 -0.146 -1.030 4.350 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 -4.700 -1.055 8.971 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 12.717 8.846 -2.556 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 4.322 1.900 -5.607 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 -7.745 1.459 -5.289 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 -23.115 4.991 13.116 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 6.195 -3.524 -0.020 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 -1.789 2.030 -5.057 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 -1.297 -5.552 9.809 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 -4.501 4.028 0.664 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 -21.347 10.563 7.384 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 18.494 21.765 15.605 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 4.356 -7.188 -4.319 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 9.947 -12.190 -7.796 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 9.397 -10.236 -6.170 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 3.896 1.916 2.896 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 -1.492 2.880 16.070 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 2.948 5.811 -0.162 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 3.966 5.623 -3.198 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 0.297 -5.456 3.904 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 5.535 18.828 -35.957 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 5.841 1.896 -3.717 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 -1.004 6.523 -15.249 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 20.205 2.293 -9.959 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 -6.083 4.536 0.520 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 -7.347 11.327 8.309 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 -14.122 10.434 -7.066 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 -7.060 -1.833 -0.607 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 -15.321 0.148 -5.689 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 -7.400 -0.147 3.293 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 7.340 0.504 -1.784 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 6.587 3.762 25.397 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 11.326 -2.905 -19.091 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 6.940 6.689 -3.849 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 -1.122 12.076 -9.814 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 3.596 4.212 3.080 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 -2.098 -1.593 -3.657 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 4.441 -1.488 -1.328 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 -7.310 -1.563 2.804 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 -5.305 -4.510 4.496 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 -16.263 -15.001 2.738 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 -23.346 10.365 -3.064 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 -1.731 0.724 0.942 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 4.602 -4.494 -0.114 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 -27.889 -23.521 20.408 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 1.288 -3.322 -2.120 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 16.766 -18.767 21.866 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 -12.732 -6.797 -6.057 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 -0.971 1.217 3.271 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 1.449 -19.930 -10.607 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 11.528 -9.359 19.001 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 3.025 0.995 2.426 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 3.303 5.498 4.621 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 4.167 17.387 4.123 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 -5.194 0.087 -7.518 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 8.173 -1.634 -3.682 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 9.782 -19.547 -9.144 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 -10.404 -1.483 -2.710 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 13.992 -16.693 11.527 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 -8.852 12.116 -25.744 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 -2.875 -5.683 -4.692 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 4.679 -7.645 -7.178 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 14.141 11.253 3.667 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 -3.667 -2.943 -4.175 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 -5.730 9.802 30.288 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 16.204 2.131 -4.927 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 0.116 -4.098 0.251 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 -3.946 -2.793 14.714 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 -7.065 -14.636 -7.945 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 -3.343 1.587 -3.477 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 15.354 -4.037 9.749 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 -11.020 8.995 3.562 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 -1.005 -3.900 0.475 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 -8.306 18.142 13.112 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 21.190 -10.326 4.623 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 4.576 -3.574 -1.241 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 -18.185 16.398 2.903 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 24.564 -8.730 2.097 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 -3.549 7.091 4.417 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 -22.634 -3.223 4.561 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 19.502 23.327 20.408 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 1.863 -1.593 -1.721 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 6.965 -7.164 -0.827 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 10.505 -11.866 -0.049 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 -5.000 -7.120 -2.623 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 0.291 -5.024 2.199 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 -5.411 12.631 -12.606 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 -1.343 -5.537 -5.505 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 5.758 25.217 -20.088 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 0.365 31.894 -17.410 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 -5.481 -5.757 5.034 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 -7.699 -13.509 7.496 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 2.678 -9.027 6.375 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 1.290 -5.316 -4.296 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 -21.580 -26.171 -2.284 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 -11.219 -17.496 -6.284 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 1.526 -8.528 3.943 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 1.676 -18.303 11.340 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 7.946 -11.811 8.711 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 -7.466 -4.548 -1.864 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 8.997 -23.323 12.676 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 -21.439 8.428 11.937 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 -3.911 4.198 3.260 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 -0.198 0.250 -1.964 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 -8.682 1.619 0.242 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 -2.649 -6.122 4.320 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 -31.158 -6.065 14.123 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 13.333 15.092 -11.640 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 1.647 -3.098 -0.552 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 20.132 1.673 4.596 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 3.964 -9.567 -18.797 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 -2.710 5.609 5.702 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 -2.503 -12.804 9.841 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 4.570 12.225 -7.772 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 3.350 1.117 4.966 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 -13.190 6.537 -7.710 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 -20.131 9.519 -14.325 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 1.877 -5.392 -2.751 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 8.313 -7.589 23.405 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 0.559 12.446 7.638 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 -8.192 -1.809 -2.282 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 -18.767 -10.271 -8.737 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 -1.279 -11.260 6.489 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 -2.230 -0.627 -1.959 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 3.706 -5.974 13.811 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 -9.244 -1.645 -15.464 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 -3.676 0.789 -3.912 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 27.436 33.606 -8.372 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 6.933 32.201 -8.168 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 2.413 1.967 -3.386 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 1.713 -7.702 -12.496 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 7.811 22.491 -8.818 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 -9.791 -0.691 -1.652 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 -12.823 2.317 -8.986 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 1.514 -4.526 15.852 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 -1.175 2.225 -3.341 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 -2.394 -16.926 -17.274 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 -17.786 -1.262 -3.786 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 -0.364 -1.787 2.796 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 -17.856 5.667 -2.741 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 7.087 -10.050 4.223 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 -3.436 -2.041 2.599 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 -10.955 0.903 -1.001 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 2.591 13.917 -1.820 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 5.030 0.668 9.106 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 32.512 3.346 10.508 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 -14.618 -13.588 9.571 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 -0.675 -1.340 3.191 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 2.792 -0.810 -2.911 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 -6.874 -3.315 12.234 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 7.447 -0.791 2.738 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 2.820 -30.528 13.619 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 4.928 3.068 4.000 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 4.169 -1.819 -0.522 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 -9.033 -6.211 -16.536 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 17.364 9.585 20.792 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 -1.982 3.271 3.913 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 18.898 -6.362 14.347 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 -4.364 -6.373 -19.588 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 -3.163 0.247 2.276 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 -7.493 15.995 9.280 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 -15.901 11.685 -4.221 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 3.142 -1.481 0.323 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 11.375 -13.780 -0.997 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 22.111 11.438 18.234 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 0.853 6.727 -1.642 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 -4.714 -10.431 -12.163 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 5.887 20.149 8.934 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 1.841 1.757 -6.106 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 -3.017 -4.047 3.873 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 7.864 10.810 -4.120 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 -0.657 -14.078 3.896 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 -7.603 -10.168 -15.370 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 -6.029 1.359 22.288 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 0.629 3.322 3.141 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 13.076 13.430 16.802 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 -18.653 -18.581 -19.854 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 3.688 6.522 -2.321 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 3.467 -11.656 7.121 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 -20.301 0.673 26.906 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 2.783 8.292 0.732 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 25.895 -8.783 11.582 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 -4.779 -5.494 0.288 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 3.653 7.892 4.495 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 -1.997 20.047 4.715 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 3.707 17.704 8.408 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 0.059 -3.687 -10.876 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 -30.080 -32.643 12.689 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 23.138 3.173 20.008 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 1.524 -3.880 3.616 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 -2.875 5.748 5.788 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 13.101 -1.144 0.861 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 0.526 0.265 0.692 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 -9.339 -0.953 -7.017 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 -6.417 -4.428 -2.741 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 4.025 0.752 0.602 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 7.695 -7.028 -32.493 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 2.462 15.783 12.835 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 3.264 -0.008 8.170 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 -8.741 10.200 7.499 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 -1.031 -0.572 8.345 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 1.462 0.012 2.140 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 6.741 -6.408 7.403 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 0.047 -4.603 4.482 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 -2.955 6.099 1.726 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 0.127 2.161 13.100 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 -23.533 7.591 23.777 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 0.670 5.857 2.769 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 2.062 -3.049 -8.855 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 6.366 2.891 15.796 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 -0.465 3.761 -5.814 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 -12.968 9.857 -2.189 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 0.047 4.240 10.064 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 4.525 -6.736 9.734 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 15.052 1.944 -3.582 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 -10.581 3.030 8.229 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 4.647 -2.900 5.391 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 -2.788 -17.919 -12.662 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 -15.860 -9.855 11.863 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 4.045 4.220 0.122 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 -3.445 7.790 9.042 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 -0.802 3.908 9.722 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 4.623 0.502 0.070 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 22.604 -34.592 -33.702 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 -23.890 3.884 -14.253 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 -5.819 0.127 -0.073 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 -13.937 3.461 15.223 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 9.370 -0.693 -7.551 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 -5.217 6.128 -1.811 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 3.479 -19.133 -2.147 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 5.601 1.121 -11.991 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 -0.850 -3.763 6.363 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 8.912 1.318 -11.864 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 -17.465 12.730 13.680 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 9.263 -2.440 -6.552 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 15.605 -3.382 7.185 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 10.768 2.651 -25.784 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 5.212 8.272 0.725 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 1.702 -0.684 7.633 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 2.207 3.266 4.269 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 3.808 4.664 4.070 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 1.444 0.112 -0.541 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 5.619 4.687 11.452 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 -2.478 -3.674 1.420 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 10.706 -3.305 0.723 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 3.250 1.133 27.997 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 -2.504 -3.555 -1.895 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 5.209 -10.347 -8.476 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 -8.724 -6.308 -11.562 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 -1.931 -2.711 -2.060 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 2.744 -12.930 8.842 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 -13.433 8.736 13.111 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 -8.256 -1.483 -4.660 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 22.078 -10.811 -9.047 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 0.439 -1.355 -4.495 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 -4.108 -0.513 -1.033 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 13.260 -33.832 -16.947 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 -6.451 5.277 1.919 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 -4.192 7.363 -1.870 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 -10.228 2.535 -5.282 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 -7.410 15.175 1.056 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 1.566 3.561 -2.072 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 1.594 -4.865 0.883 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 -10.156 -2.191 -5.492 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 7.646 1.557 -11.392 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 -7.473 -0.525 0.980 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 -1.746 -1.131 -11.195 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 2.765 4.948 -4.118 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 -3.432 16.561 8.643 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 11.405 -5.934 -10.374 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 -3.430 -0.825 3.820 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 6.090 7.436 0.309 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 -8.641 1.394 -0.034 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 -0.463 -2.376 2.447 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 -19.361 -14.082 0.966 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 3.070 9.041 9.127 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 -0.632 1.393 3.014 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 -4.772 -2.330 1.268 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 16.513 13.980 -4.060 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 1.110 -6.973 -0.639 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 2.104 34.088 3.370 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 0.545 22.911 21.026 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 -2.501 4.251 -8.704 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 -5.484 -10.256 -5.292 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 -6.702 13.255 4.857 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 0.404 1.984 5.310 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 3.727 5.934 16.776 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 -8.794 -9.990 2.538 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 -1.675 -9.670 -1.272 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 25.811 -22.547 -18.648 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 -0.240 7.387 -9.790 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 4.607 4.001 1.986 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 14.555 5.989 0.184 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 7.283 -2.237 -4.645 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 -0.753 0.034 -1.995 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 -6.366 -0.067 6.198 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 -8.618 0.691 7.265 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 -0.409 1.767 4.694 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 -9.753 -3.531 -1.801 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 -15.564 -25.838 -15.598 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 5.786 1.604 -7.503 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 -24.393 14.152 -0.470 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 9.124 3.150 -5.311 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 4.355 0.070 -0.232 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 -9.973 3.526 -11.149 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 -2.738 -11.678 13.826 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 -6.242 0.861 -1.329 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 -6.250 -1.008 -10.884 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 -5.754 4.409 1.075 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 -0.136 -6.633 3.736 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 3.911 -4.883 8.194 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 5.297 -8.378 -0.254 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 -0.868 2.095 4.199 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 3.970 -4.746 -11.609 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 -6.288 -17.720 1.137 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 3.175 -3.541 -6.098 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 16.124 -4.206 -6.369 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 -1.715 0.658 3.891 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 -5.937 2.541 -6.940 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 -6.882 -7.214 -5.212 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 -4.668 8.302 -8.099 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 9.294 3.527 -1.803 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 6.705 -4.361 -0.182 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 3.168 7.080 -8.896 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 1.161 -0.395 -2.611 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 -21.170 17.548 -2.060 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 -4.726 -11.217 -9.683 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 9.813 -1.914 0.316 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 10.605 1.683 -3.086 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 16.814 19.853 4.470 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 -0.219 -2.645 0.185 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 -13.630 -1.896 -10.225 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 5.924 -1.793 -0.377 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 -0.701 1.477 -1.231 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 -6.621 -10.603 -5.477 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 -2.256 -1.814 -22.220 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 5.488 1.634 1.876 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 10.258 7.996 -17.472 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 14.294 -1.131 -2.741 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 -0.972 -0.391 3.045 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 -16.731 -22.512 3.373 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 -2.735 13.494 6.018 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 -0.473 4.634 1.666 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 -9.588 7.830 6.138 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 -24.332 15.697 1.585 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 6.358 1.714 5.009 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 10.403 2.190 12.224 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 9.078 0.739 6.215 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 1.733 -2.083 3.707 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 -4.795 -7.272 -2.325 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 12.425 15.683 6.425 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 1.302 2.471 0.112 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 -10.039 17.735 5.809 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 8.373 2.932 -16.717 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 -5.224 9.299 -2.755 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 -2.435 -16.222 2.537 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 -4.830 -18.526 3.006 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 -6.656 -0.382 4.917 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 8.407 -7.865 -3.927 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 -19.271 2.016 -6.816 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 2.975 0.427 4.244 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 7.535 -9.440 -2.597 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 -3.350 -3.186 -1.796 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 6.585 5.346 2.724 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 2.128 -4.643 13.214 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 5.255 0.728 -2.680 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 -2.758 3.309 -6.454 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 -18.075 -17.737 -5.409 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 8.136 -2.505 18.179 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 -8.565 -3.327 -1.420 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 -3.494 8.283 12.610 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 -26.092 -19.197 6.401 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 4.787 -0.146 -8.185 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 14.732 -1.672 -22.289 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 -0.092 -13.802 7.171 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 -2.860 -0.285 -1.269 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 -2.753 11.515 -0.026 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 -3.561 14.062 1.157 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 5.225 4.879 6.259 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 8.811 17.214 16.249 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 6.330 -5.756 35.928 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 -1.870 5.505 2.411 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 -5.753 4.523 -9.368 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 10.896 5.840 1.648 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 -3.234 0.427 -1.006 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 -2.908 3.774 -7.761 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 -1.150 0.785 -15.381 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 -11.046 0.120 3.983 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 -8.207 3.543 2.056 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 -8.283 2.450 2.880 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 9.216 -3.723 -4.908 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 -8.562 -13.651 -8.324 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 -8.236 -2.270 3.248 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 -5.023 -6.109 0.178 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 -12.384 -12.776 -2.794 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 7.195 6.526 2.592 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 -0.761 -0.370 -1.094 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 10.701 11.973 -8.734 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 -10.923 -13.330 3.021 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 3.809 -2.908 -4.092 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 16.524 0.401 -0.332 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 -11.820 -5.656 -9.519 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 2.875 -2.572 0.777 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 -1.862 3.195 3.642 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 -20.033 3.053 7.481 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 -0.113 -0.324 2.089 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 -0.515 1.150 -0.764 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 -1.917 -20.284 9.225 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 5.212 -2.628 -3.612 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 -22.943 10.666 -0.339 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 2.826 -7.259 -27.028 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 -0.480 -0.416 0.357 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 -0.860 -6.656 18.749 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 -5.792 11.093 13.615 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 -1.082 2.015 -1.420 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 -25.065 21.382 -25.087 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 -7.131 10.151 27.304 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 -3.123 4.230 -0.930 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 -7.795 1.530 -6.151 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 1.202 2.349 -5.063 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 -1.411 -1.643 -2.513 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 1.649 -23.394 -12.504 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 20.324 10.535 -2.658 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 -4.662 -0.878 7.325 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 -10.426 13.473 -9.364 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 -3.231 -9.832 13.906 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 0.224 2.480 -1.540 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 19.312 16.365 9.465 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 -12.239 0.524 -12.349 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 -3.941 -3.722 -1.864 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 -16.990 -2.242 -1.033 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 -1.231 -4.359 2.290 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 1.099 2.999 -2.673 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 -6.183 32.311 9.732 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 -12.407 1.547 -27.809 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 5.087 -2.720 0.655 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 11.025 -0.861 -4.646 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 14.688 -6.434 -2.491 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 -0.586 -1.992 1.728 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 -4.584 -0.790 0.739 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 -26.920 4.887 -3.692 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 -2.139 3.881 2.433 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 -13.309 3.122 22.099 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 10.381 -2.671 12.440 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 0.815 8.332 -1.646 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 8.211 4.763 3.495 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 3.383 -0.376 7.510 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 -1.342 -0.324 -2.735 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 -0.796 0.471 19.858 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 0.527 19.628 -11.196 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 2.184 1.578 7.652 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 14.016 -12.512 0.430 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 -15.456 -8.029 10.755 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 -2.482 3.778 1.033 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 -20.224 -7.070 0.689 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 -21.861 -7.436 1.393 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 -2.739 -7.683 3.476 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 -7.680 -4.174 -9.941 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 -7.745 4.960 18.559 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 -4.120 -4.081 6.393 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 13.778 3.037 13.218 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 -11.780 -19.904 6.562 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 -0.999 2.537 1.600 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 31.018 9.542 28.078 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 -5.721 -2.602 -2.739 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 4.693 0.396 0.179 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 5.516 -6.317 -9.109 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 -10.998 10.057 -10.864 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 -2.251 1.380 -2.941 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 -10.074 2.753 -5.224 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 -2.520 0.348 5.329 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 -2.845 8.006 2.042 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 -8.267 -3.369 16.581 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 31.517 -14.897 21.913 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 2.241 -2.936 3.842 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 8.905 -1.815 8.659 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 22.277 12.180 12.361 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 0.584 1.770 9.922 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 -6.320 24.621 -9.382 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 -25.879 -3.130 25.968 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 0.312 -1.104 -0.819 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 14.811 -15.883 -5.190 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 1.437 1.346 15.412 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 -4.472 -2.274 2.779 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 3.362 4.396 -3.712 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 8.734 7.139 7.570 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 2.328 2.718 1.758 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 14.040 15.128 -26.532 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 4.361 3.705 -1.410 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 -0.297 6.897 0.201 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 2.165 2.441 -16.963 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 6.202 22.775 1.956 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 0.270 0.883 0.622 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 2.284 11.915 -0.533 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 -14.397 -5.577 16.122 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 5.811 1.335 1.834 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 6.368 -11.573 -16.402 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 -1.768 -10.523 21.611 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 -2.744 1.836 -3.943 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 7.309 7.205 -5.956 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 8.755 -0.733 13.389 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 0.763 -1.262 -4.883 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 -2.327 -4.502 -7.186 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 6.844 5.256 -0.300 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 -0.807 0.897 1.765 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 8.670 -0.834 -0.349 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 18.784 -13.186 -4.731 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 5.127 4.945 -6.044 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 -4.680 -6.936 2.706 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 3.300 4.901 0.468 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 -0.999 -3.992 -5.912 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 -17.572 6.070 -18.162 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 -1.030 4.978 14.656 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 3.986 -3.394 -4.972 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 9.915 -5.171 4.498 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 -0.404 27.629 -1.750 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 0.861 -1.409 4.789 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 3.788 4.376 21.097 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 18.110 12.495 9.839 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 -0.707 -0.329 -0.119 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 0.363 4.992 4.287 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 -1.102 0.850 -4.281 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 0.415 -1.263 -4.776 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 -9.029 23.418 -9.152 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 1.148 -2.325 -1.747 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 -0.659 2.803 1.666 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 18.921 -15.942 -0.413 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 5.749 27.118 19.656 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 -2.892 -3.935 0.037 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 -8.866 -5.070 8.162 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 3.379 -6.971 3.237 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 -0.793 -4.564 -3.501 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 -2.899 -5.619 -0.595 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 0.252 -5.543 -6.664 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 2.804 0.562 -2.704 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 1.382 -0.953 -3.942 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 17.825 -10.452 -3.317 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 -2.446 5.708 4.690 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 -5.292 -4.160 -8.409 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 -4.160 6.317 14.366 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 -0.533 3.578 -0.252 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 -21.379 29.855 -0.715 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 6.626 -10.188 -3.910 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 0.411 -4.614 -1.543 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 7.732 -14.490 8.111 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 6.727 -2.344 -7.603 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 -3.954 -4.139 0.367 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 -3.428 -11.245 -1.379 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 -10.055 18.253 16.060 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 -4.931 -4.666 1.463 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 6.616 -9.839 15.354 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 -15.408 -7.260 3.466 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 -1.892 2.181 -1.550 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 13.619 -26.257 9.787 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 -9.151 13.424 2.883 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 -2.516 -2.613 -0.392 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 11.253 -2.486 -16.778 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 -2.473 -24.147 5.687 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 -3.624 0.319 -2.469 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 -6.426 -3.262 -8.531 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 17.175 -11.810 20.421 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 -5.169 3.938 -5.876 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 -5.637 -7.202 10.258 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 -9.552 15.897 -17.786 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 -5.767 -3.764 -7.788 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 -8.934 -15.578 23.587 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 11.297 31.991 -9.896 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 -0.201 6.343 0.005 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 -1.879 -1.073 -5.117 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 2.347 13.873 -13.286 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 -7.230 -6.471 1.681 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 -14.236 18.867 -6.992 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 3.947 -0.540 14.782 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 0.413 1.319 -1.604 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 9.594 -5.557 -8.612 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 -14.783 1.581 -4.545 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 -0.414 0.423 -3.964 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 2.229 -16.404 -19.010 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 3.318 0.110 7.703 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 5.787 2.318 0.195 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 10.792 -5.144 -2.230 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 1.696 -0.292 6.772 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 3.247 -3.597 1.571 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 9.152 6.960 11.904 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 -10.339 7.085 -5.796 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 9.735 -2.075 2.201 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 12.932 -14.139 15.173 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 19.660 14.935 -5.298 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 6.207 1.022 1.487 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 -0.845 9.706 -10.480 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 -9.958 21.764 5.294 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 5.641 -0.149 -1.806 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 4.793 6.282 -10.077 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 3.204 -9.265 8.633 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 0.853 -0.827 1.104 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 8.108 5.194 -12.211 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 -0.892 -6.860 29.017 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 3.826 -2.981 0.952 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 14.847 -7.665 18.858 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 -16.376 -22.527 1.195 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 -0.511 0.857 1.943 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 2.556 2.837 3.241 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 -1.058 -6.713 -8.535 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 -1.846 -5.231 -1.615 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 -7.880 -8.875 2.591 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 -5.983 2.607 -5.681 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 -5.682 2.487 1.690 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 17.286 1.767 -8.426 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 -3.379 -3.364 3.936 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 -1.692 -1.037 -1.616 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 3.705 -11.407 -20.913 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 6.838 -21.314 13.281 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 -2.825 3.728 -5.399 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 -2.433 3.556 -0.454 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 -4.966 -1.556 -7.495 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 1.656 -4.584 -1.577 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 2.853 2.500 2.199 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 12.343 -4.100 -2.431 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 1.055 -1.245 -5.060 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 14.031 -19.832 -27.936 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 14.715 16.835 5.944 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 2.760 -1.434 -0.014 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 16.367 -0.599 -18.443 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 1.687 -3.170 3.565 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 1.052 -2.437 0.804 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 4.115 1.421 10.502 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 0.692 -15.588 -1.099 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 -0.837 0.257 3.462 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 12.911 5.226 -3.382 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 0.731 7.293 -6.770 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 -9.451 7.783 1.941 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 -3.954 18.051 -1.709 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 -12.017 2.623 -8.850 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 -5.719 -0.267 6.631 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 13.114 9.645 -28.569 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 -3.250 0.789 1.672 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 7.600 -1.974 0.914 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 5.972 -2.303 -10.312 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 9.155 -3.223 3.320 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 0.195 0.011 3.904 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 4.160 1.752 -10.514 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 13.280 -9.467 -3.405 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 8.692 -0.233 -1.221 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 1.990 -3.034 -11.374 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 7.649 -19.272 -14.430 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 2.002 -3.239 6.931 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 -11.780 23.881 0.730 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 -5.261 13.246 2.540 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 -1.436 2.974 -2.041 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 -5.174 6.382 -8.326 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 6.615 -0.889 4.188 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 -0.053 -2.261 -1.466 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 4.480 7.132 6.855 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 1.709 2.855 2.422 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 1.356 0.951 -2.966 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 -9.076 -2.929 7.529 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 11.572 -2.825 -0.897 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 1.174 -0.939 -2.244 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 -2.997 8.649 -0.251 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 -12.347 29.107 5.171 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 -6.543 -2.834 2.863 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 -19.026 -2.419 -14.995 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 -1.656 1.371 -12.546 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 2.305 -4.415 -1.050 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 14.771 -1.442 14.674 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 12.417 -3.091 -3.757 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 -3.953 -5.752 1.264 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 5.768 -23.904 6.514 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 -6.329 -9.010 -21.047 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 -3.382 -0.779 3.196 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 22.067 -17.099 -11.248 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 -12.488 -2.350 16.208 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 0.131 -2.657 3.505 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 0.012 -1.471 4.089 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 0.693 2.303 4.408 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 3.635 -1.839 -2.659 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 11.798 -10.350 -0.946 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 -2.127 -1.847 7.549 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 5.843 -5.930 -2.151 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 1.273 -3.063 -6.251 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 10.594 -8.253 1.667 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 -0.170 6.814 -4.262 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 2.150 5.465 1.232 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 9.893 7.507 4.012 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 3.625 -4.489 -2.088 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 18.571 10.932 5.244 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 -1.620 10.548 31.853 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 4.021 -1.890 0.392 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 -23.322 21.715 4.478 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 -2.464 -20.665 21.964 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 3.476 1.490 -0.829 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 1.013 3.440 2.197 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 0.272 -0.930 -7.741 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 -0.729 6.566 4.006 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 -9.305 -33.694 -22.325 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 26.426 19.325 -8.259 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 0.313 -1.568 1.852 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 -4.969 7.655 3.675 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 20.171 2.840 27.719 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 2.991 5.380 6.208 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 -8.381 -3.293 15.124 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 6.058 5.299 8.778 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 -10.825 -2.812 -3.363 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 -3.237 12.315 -12.936 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 -1.327 1.516 -20.173 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 0.045 4.280 -0.749 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 -0.018 5.476 -10.279 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 -9.208 6.416 6.602 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 3.508 -0.388 0.960 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 6.049 11.407 -8.783 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 0.074 -11.797 13.816 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 2.209 -0.719 -2.916 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 8.839 -1.837 6.796 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 2.902 4.135 -2.726 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 -8.373 4.300 0.840 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 -6.826 2.711 -1.496 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 4.148 -3.864 -14.508 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 -4.414 1.913 -6.980 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 2.547 -10.756 -12.140 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 0.974 3.782 2.096 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 -0.277 5.082 4.727 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 19.006 -5.454 26.414 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 -5.912 -3.951 -10.941 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 0.789 -0.647 -0.151 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 -20.577 0.470 -21.671 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 -5.828 0.381 -7.892 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 -0.795 1.556 6.832 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 -6.883 -12.450 -1.730 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 3.683 9.082 -5.446 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 14.111 -1.071 5.340 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 7.864 2.544 5.506 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 15.176 -1.003 5.377 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 0.116 3.024 6.176 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 27.904 -7.181 -22.362 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 -1.984 -13.979 11.961 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 -4.341 4.248 8.826 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 20.550 14.878 14.397 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 5.609 8.364 13.565 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 5.434 0.967 -2.499 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 1.547 8.223 5.648 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 5.551 21.254 -10.571 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 -1.474 1.984 -4.127 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 -2.391 1.476 14.638 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 -6.653 -0.547 13.153 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 2.591 2.836 1.808 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 4.383 9.443 -0.993 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 -1.920 -5.791 4.479 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 2.972 7.875 1.062 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 10.173 26.883 11.027 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 15.708 6.656 -18.710 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 1.007 -0.085 2.936 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 -15.244 -2.168 16.568 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 23.680 -18.142 -2.911 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 -6.317 0.525 -3.263 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 10.618 1.068 -15.959 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 -24.880 -1.465 9.568 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 -1.482 6.599 -1.031 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 4.231 8.576 -2.315 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 -5.118 12.851 -0.106 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 3.283 1.808 1.846 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 14.543 -11.822 4.746 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 -16.403 -2.685 -1.826 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 -5.792 1.272 2.388 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 8.445 5.847 0.888 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 -18.071 -11.080 15.666 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 -1.684 -1.357 -3.570 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 -1.862 4.713 -0.778 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 2.945 -5.866 -9.097 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 -2.517 1.182 -4.102 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 -8.824 -13.645 -6.867 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 8.525 11.428 -11.353 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 1.330 10.723 -6.735 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 8.742 -12.906 10.262 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 -1.081 3.963 7.450 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 -3.409 -2.937 -5.102 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 14.315 10.105 -5.600 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 -11.758 1.599 17.442 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 -1.050 5.987 -7.254 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 -4.344 6.010 -11.166 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 -5.053 6.828 -12.268 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 -6.431 5.191 5.669 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 -2.126 -12.233 -6.482 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 10.970 -1.295 18.431 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 -4.268 5.116 1.189 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 -3.319 -8.869 -29.572 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 -17.948 14.479 1.587 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 -4.027 2.017 -6.438 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 0.368 6.038 14.100 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 3.415 5.735 -31.325 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 -1.633 3.083 -1.000 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 -15.922 27.362 -7.006 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 13.480 -5.299 13.606 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 -3.509 -4.643 7.657 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 -3.588 -0.854 -7.827 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 -14.072 -11.357 -9.265 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 2.424 -1.864 -1.671 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 3.960 -2.011 2.676 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 0.531 6.659 -17.294 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 -1.050 -2.969 2.165 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 7.360 6.598 9.954 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 -17.306 0.632 9.485 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 -3.168 -2.943 -3.172 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 -9.615 -5.947 -1.269 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 -24.657 7.662 19.809 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 -1.776 5.210 0.737 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 -9.536 -7.732 27.210 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 10.371 9.585 -4.701 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 -1.749 -3.356 6.096 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 -4.455 -17.818 -18.432 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 16.487 19.304 -7.751 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 -1.611 2.498 -1.383 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 4.372 0.354 -6.681 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 6.803 1.822 -10.028 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 -4.576 2.323 -7.886 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 -18.721 -1.955 -6.600 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 -6.597 1.806 -18.351 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 -2.808 3.667 1.830 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 -30.490 -1.606 8.536 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 7.201 -1.163 20.640 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 -3.871 2.230 -1.157 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 -6.590 -1.121 -4.396 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 9.745 7.545 5.626 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 7.225 1.300 -6.675 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 -8.491 -29.637 9.809 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 2.738 -7.415 -1.596 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 0.530 1.791 3.060 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 2.290 -0.861 3.029 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 15.568 -3.499 13.304 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 2.429 4.760 -5.289 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 -9.267 -2.118 -11.459 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 6.004 -3.277 -11.834 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 -1.675 -3.938 -1.988 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 -10.164 -5.029 1.187 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 5.768 -2.076 2.233 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 -7.588 1.743 -5.756 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 -16.161 -10.570 -2.663 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 1.451 9.295 18.288 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 0.649 4.514 0.746 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 7.379 22.157 -9.679 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 0.842 -8.103 1.696 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 -8.049 -4.357 -2.157 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 -19.193 -1.337 11.970 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 15.923 -8.512 -34.076 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 3.402 -2.576 8.211 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 3.995 26.738 4.853 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 5.128 -32.340 12.319 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 5.277 -5.377 3.099 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 -1.871 1.669 22.517 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 -11.906 -11.647 10.065 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 0.938 -4.152 -1.287 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 -0.742 -4.882 -12.654 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 -14.498 3.162 20.032 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 -4.113 3.415 -2.725 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 4.080 11.875 -17.870 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 -5.877 -0.914 7.975 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 -4.471 -3.513 -0.446 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 4.430 -5.556 -5.689 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 -6.085 1.289 10.584 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 -3.459 -4.202 4.589 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 5.645 -17.775 13.439 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 8.929 8.900 0.500 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 -0.224 -4.568 -1.555 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 -25.766 -25.029 10.479 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 -7.353 -24.750 0.782 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 2.574 2.680 -2.153 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 12.802 5.662 -1.136 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 -1.140 -5.289 6.612 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 -2.948 -5.914 -0.320 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 3.744 -11.513 1.358 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 -6.346 6.217 0.713 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 5.757 0.069 4.755 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 14.708 -26.368 -24.659 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 15.531 -1.907 6.785 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 -3.710 0.721 6.033 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 -2.695 -1.860 -1.816 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 -17.612 6.512 7.793 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 3.356 1.791 -2.416 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 9.344 -9.789 -17.382 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 5.426 -0.099 -5.035 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 2.568 -3.098 -1.923 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 9.143 0.555 4.079 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 8.762 6.033 11.155 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 0.513 -0.696 3.748 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 -7.061 8.022 1.445 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 2.098 -1.822 3.359 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 -5.259 -0.338 -0.801 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 -3.685 -7.213 18.736 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 -7.015 -9.225 12.512 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 -4.512 4.910 2.846 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 -6.581 1.616 10.210 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 -12.982 18.526 6.103 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 -0.329 -0.948 -4.137 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 17.456 -9.202 -19.046 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 6.900 -8.382 3.971 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 -2.477 2.053 -9.552 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 -17.285 23.469 -23.722 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 -11.809 12.136 -13.832 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 0.233 2.983 -1.400 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 1.353 6.787 -16.919 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 12.981 4.678 2.919 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 0.827 -0.920 4.022 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 -10.282 -1.130 17.085 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 8.600 5.930 -14.561 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 3.448 1.862 4.841 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 18.126 1.050 30.045 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 -19.523 -1.795 18.374 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 -4.292 -3.638 2.475 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 -5.367 -18.059 -16.435 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 -3.057 11.317 -2.409 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 0.395 -0.475 2.313 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 16.473 6.299 16.949 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 13.830 4.185 13.601 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 -6.478 3.450 -0.176 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 -13.347 17.861 -1.589 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 4.599 12.048 2.546 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 -8.531 -1.862 7.923 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 13.826 6.486 -4.483 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 -8.335 19.168 -23.769 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 -3.524 -1.061 1.734 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 -1.869 -0.902 6.675 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 -1.752 0.545 -15.076 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 -0.390 -7.000 0.572 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 -2.958 -6.862 0.029 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 -0.032 -1.656 16.308 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 -3.073 4.050 -1.976 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 3.336 3.172 3.787 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 -11.913 1.286 -6.606 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 -3.210 9.489 -4.690 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 -3.834 -3.372 -5.426 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 -8.819 -19.207 -19.660 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 4.336 -1.778 -0.503 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 -27.212 2.876 3.051 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 6.634 16.049 12.355 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 5.131 -2.438 -3.601 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 8.863 2.820 -1.538 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 10.086 4.445 2.027 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 6.803 -0.049 -4.052 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 6.216 16.167 -30.552 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 -4.541 -24.984 31.269 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 2.466 4.457 0.632 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 10.032 -3.754 0.285 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 -0.551 22.201 -14.359 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 3.282 -1.993 -3.495 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 -4.813 15.177 -17.346 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 -3.863 -12.961 -2.072 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 8.436 -6.491 1.575 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 -0.344 -9.303 -2.374 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 19.206 -4.891 -17.212 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 -2.997 -2.759 -0.618 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 -4.354 -1.001 -1.165 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 -12.005 3.319 -2.447 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 -2.745 5.170 -6.920 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 4.246 4.339 -10.910 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 -2.663 11.061 -21.674 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 -0.789 -4.421 -3.211 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 -11.433 2.155 -8.618 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 6.644 -15.239 -10.435 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 -2.762 -2.860 -7.777 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 10.910 -21.048 -30.271 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 2.165 0.957 -2.349 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 -5.611 -5.229 -2.538 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 -10.827 -3.205 -5.440 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 -19.826 -6.701 -9.239 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 3.970 -6.084 5.816 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 16.068 10.937 19.537 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 3.361 -5.468 7.754 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 2.138 -3.427 6.463 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 13.397 -7.291 2.616 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 -8.503 15.889 25.485 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 2.299 3.117 0.428 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 -1.664 -5.925 5.419 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 -0.669 -4.068 2.929 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 -1.614 -2.316 2.262 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 -1.781 -3.522 3.154 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 4.327 3.298 6.218 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 5.645 -0.741 -5.113 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 -2.651 -8.334 17.069 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 9.681 -8.150 -6.491 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 7.940 -3.294 -2.085 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 -5.519 -2.556 25.505 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 23.530 -4.157 -18.672 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 0.418 -2.025 -3.613 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 13.046 0.976 -3.881 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 3.036 0.338 -4.746 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 -5.425 -5.299 0.953 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 4.890 -2.741 -16.061 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 -11.096 -0.585 -6.932 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 2.339 -1.627 2.658 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 1.436 -7.541 3.494 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 10.546 10.109 -8.984 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 2.115 -2.507 1.084 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 8.734 -8.359 -12.655 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 -0.988 3.513 -1.057 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 1.059 -2.875 -2.468 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 -8.030 -13.886 -10.421 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 10.055 -1.033 18.506 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 -0.207 -6.364 2.491 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 -9.520 -12.847 12.217 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 18.016 3.843 1.186 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 -0.701 -3.255 -0.051 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 -5.309 -26.544 9.512 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 0.876 -37.689 6.492 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 2.232 -0.978 4.510 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 11.375 0.795 9.734 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 -2.180 -6.200 -6.751 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 -0.772 -3.358 1.601 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 -3.958 16.254 5.319 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 -0.258 -4.342 -2.974 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 -7.027 -1.760 5.422 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 12.618 22.073 -18.560 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 -18.556 -1.312 15.054 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 1.285 -0.584 -0.166 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 16.474 19.295 9.633 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 -6.657 -26.849 -0.042 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 4.317 -2.952 -1.101 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 13.319 -11.597 1.458 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 13.802 -4.626 23.423 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 2.654 -2.683 0.305 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 -10.249 16.595 35.198 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 5.810 -12.449 -8.021 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 6.121 -2.635 -1.149 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 10.952 12.950 -2.308 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 0.203 -0.894 0.367 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 -4.945 -1.412 1.253 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 -9.896 0.653 14.355 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 7.639 -7.486 5.301 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 0.412 2.441 4.209 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 12.241 2.175 -2.937 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 -12.061 11.651 12.632 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 -4.534 0.162 1.410 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 -15.835 -2.050 -3.993 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 -25.554 -1.371 -3.579 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 7.942 -5.185 2.786 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 4.240 10.154 -11.035 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 8.947 12.263 -13.976 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 -2.703 4.084 1.993 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 -1.865 -14.692 -3.290 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 -14.797 3.286 -16.076 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 -0.680 0.920 2.926 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 0.783 -6.660 7.350 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 6.350 3.191 1.485 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 -0.059 -5.160 -1.409 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 32.591 -10.497 -11.841 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 21.392 -8.710 -7.980 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 -4.230 -1.815 3.700 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 -10.867 22.874 -2.022 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 4.904 -33.377 12.907 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 -1.834 -4.078 3.214 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 18.166 3.504 13.538 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 -4.262 -7.466 7.764 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 -1.968 -4.052 -2.550 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 -7.744 -11.311 -1.714 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 18.641 -0.778 5.728 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 0.075 1.101 -1.855 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 -20.485 33.126 -3.555 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 -5.034 -7.919 3.593 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 -2.676 4.853 -1.574 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 -11.136 3.259 -20.963 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 3.654 0.456 -6.220 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 -2.224 -7.550 -0.485 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 -4.000 -9.489 -2.838 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 -3.280 -5.597 1.199 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 -1.971 4.429 0.049 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 -11.109 18.044 -4.273 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 -2.781 -3.433 14.320 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 -1.305 1.092 -7.045 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 14.837 -41.495 -18.061 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 13.461 -12.851 -21.288 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 -2.445 -0.584 9.261 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 -14.966 -11.375 21.800 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 -3.644 -8.088 -8.521 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 5.111 -0.941 1.840 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 -1.081 5.464 0.916 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 -5.571 7.792 1.458 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 3.396 1.248 -5.089 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 -0.629 -5.079 -5.073 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 4.121 -19.827 -5.124 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 4.659 7.147 -0.080 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 -2.793 -1.486 -3.465 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 2.717 6.258 0.509 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 9.858 0.256 -1.542 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 -13.017 -21.607 -11.841 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 3.337 5.174 -19.354 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 3.821 -4.165 -2.062 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 17.375 -2.473 -8.592 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 6.241 0.906 -15.918 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 3.502 -0.204 3.765 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 -20.896 -4.207 5.374 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 9.605 5.914 1.269 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 -11.001 -4.152 -4.837 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 -0.922 14.431 12.882 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 0.450 10.807 6.382 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 1.439 1.996 0.052 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 6.731 -2.234 12.853 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 -11.429 -8.990 -10.676 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 -5.799 5.472 -0.153 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 -18.896 0.268 -5.508 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 -13.057 2.516 10.529 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 1.699 2.745 1.521 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 -23.079 3.159 7.874 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 13.390 -9.231 21.306 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 0.134 -5.960 0.304 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 22.063 -6.148 1.047 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 5.706 8.504 4.951 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 -1.019 -1.807 -2.376 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 11.927 -2.656 8.802 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 1.111 -6.360 -5.722 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 0.231 -1.195 0.667 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 6.865 -0.923 -4.219 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 0.933 1.865 -2.776 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 2.539 -0.760 1.646 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 4.750 12.289 -14.984 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 1.850 6.469 -6.967 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 -2.872 -0.642 5.264 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 -8.861 20.472 -11.455 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 -22.505 -4.907 24.909 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 5.415 -2.406 1.020 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 -5.493 -2.106 -13.973 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 -2.741 -0.921 -2.403 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 1.457 4.196 1.907 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 0.665 0.097 6.349 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 0.164 0.958 3.923 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 3.750 -0.792 -0.917 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 8.507 -3.511 3.410 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 9.434 -0.896 20.867 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 -2.106 -2.010 -0.847 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 -11.324 1.220 -5.336 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 11.496 -9.344 0.539 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 -2.079 -3.728 -1.358 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 -1.318 -3.089 -1.581 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 5.284 -8.855 -5.797 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 6.940 3.599 -3.173 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 13.537 5.047 4.884 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 2.703 12.394 27.373 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 -1.690 2.442 1.527 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 1.743 5.829 -1.352 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 -6.710 5.806 0.345 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 2.053 2.812 -0.230 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 -6.198 -7.334 3.170 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 -7.771 -9.986 3.302 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 -6.619 6.776 1.018 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 13.414 -0.074 14.273 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 -24.384 -5.774 19.663 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 6.969 -7.971 -10.819 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 -10.709 4.652 -16.656 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 7.056 -14.348 -9.098 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 1.171 1.772 -4.100 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 -14.111 -6.375 -0.635 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 -0.722 -2.980 -10.116 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 -3.461 -3.039 -5.185 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 7.076 2.037 -4.614 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 -5.339 2.319 -12.009 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 0.843 -0.432 -5.204 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 2.747 -10.853 -19.457 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 -1.692 -8.169 -10.957 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 -3.488 5.372 -0.219 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 -12.113 -0.270 -6.764 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 0.786 15.593 9.611 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 1.635 -0.725 6.049 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 -2.431 16.904 5.663 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 18.603 -0.447 4.659 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 4.780 -0.556 -7.652 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 -16.479 -25.634 -28.258 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 0.987 -10.798 -20.030 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 -2.833 -0.617 2.755 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 6.214 1.878 -2.561 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 -20.354 14.639 -0.848 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 0.116 -1.413 -2.006 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 -7.080 11.791 -16.207 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 0.692 0.396 -13.102 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 2.342 -2.864 -5.841 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 -4.445 3.647 -5.401 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 28.906 4.022 -3.282 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 -0.764 -6.106 -5.479 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 -18.956 -10.807 -23.540 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 0.964 7.135 13.571 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 -8.704 -5.239 -4.761 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 10.164 -7.414 12.146 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 -35.012 -7.556 -5.132 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 -0.583 2.010 5.548 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 -4.732 9.348 0.055 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 -4.910 -2.509 7.662 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 2.466 -1.309 -1.104 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 3.140 34.842 -9.742 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 6.712 -18.851 0.601 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 -3.526 3.989 7.043 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 16.643 1.353 -8.075 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 -12.348 -1.742 -2.090 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 8.156 3.836 -3.187 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 4.507 4.640 -4.724 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 8.554 -5.463 16.358 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 2.711 1.751 0.354 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 2.391 2.344 0.297 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 10.439 -18.209 -19.674 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 -2.529 -4.174 2.587 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 -9.154 -8.117 -5.230 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 -3.818 7.910 -9.236 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 -2.564 -5.636 0.996 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 2.099 -3.411 11.840 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 2.703 -1.180 -2.061 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 -3.634 -7.508 1.485 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 -12.868 21.711 -26.779 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 16.462 4.845 -5.359 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 0.001 2.031 -8.861 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 -18.878 -2.762 -17.574 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 -1.343 -17.984 20.964 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 -1.817 0.972 -7.976 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 0.157 4.456 -11.361 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 1.669 8.579 -12.192 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 3.515 -9.687 -4.131 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 -8.863 -6.035 5.228 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 3.372 -3.492 13.538 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 -2.910 3.445 -1.020 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 6.945 3.930 6.596 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 -4.861 3.360 7.416 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 -3.519 -1.927 0.107 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 11.073 -13.409 29.060 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 -18.729 5.282 -16.753 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 -4.021 1.398 2.371 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 3.785 -1.666 3.744 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 -21.442 -18.538 -16.177 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 4.145 -4.419 -0.381 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 -5.863 -2.048 -11.831 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 13.264 1.749 3.444 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 7.951 3.559 -3.625 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 2.761 -6.902 -6.840 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 10.516 18.083 3.441 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 -4.437 0.372 4.828 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 13.871 7.066 2.282 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 -17.184 -13.008 4.464 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 -5.267 -4.484 6.207 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 13.327 -29.556 -11.721 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 -2.077 -6.582 -3.968 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 -1.652 1.688 6.629 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 -11.010 5.397 35.243 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 -23.574 -14.905 -2.763 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 -2.809 -3.143 -2.022 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 -15.422 13.910 -23.484 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 -2.973 -6.963 -17.261 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 0.050 -5.608 0.283 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 -25.154 -7.091 6.460 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 -26.558 -5.942 6.243 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 3.254 0.928 -4.150 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 10.631 27.407 13.125 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 -13.373 -17.837 -9.371 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 6.841 -7.265 -3.235 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 10.975 9.202 21.619 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 9.695 -3.989 30.484 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 -6.295 3.860 0.768 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 -9.940 0.681 -5.621 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 -2.230 10.300 -6.177 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 1.569 -7.169 10.630 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 7.455 -37.591 -32.639 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 14.493 -3.351 14.232 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 3.317 1.655 -1.600 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 7.252 6.143 -7.687 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 11.559 0.486 5.913 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 2.993 -6.663 1.157 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 9.429 6.787 3.937 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 5.815 0.923 2.246 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 1.278 -1.361 0.881 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 -18.271 2.994 12.374 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 -2.804 -5.030 -12.601 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 4.784 -5.096 -1.680 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 -6.257 -24.706 -18.518 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 0.174 -4.742 -10.185 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 -0.131 3.776 -0.835 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 2.412 -6.893 5.805 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 1.323 -0.147 3.237 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 -0.142 -2.364 -1.681 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 1.199 -2.464 -3.082 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 -12.716 -11.267 -6.848 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 5.244 4.008 -3.894 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 -3.652 0.138 -9.340 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 7.345 -2.041 -46.477 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 -5.049 -0.913 -2.176 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 -3.411 4.865 1.029 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 -3.291 -1.406 21.864 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 1.862 0.118 3.514 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 2.263 -3.580 -0.736 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 2.989 -7.386 -4.850 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 8.444 2.114 0.886 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 -3.598 24.832 11.145 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 -12.848 13.641 38.517 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 -4.192 2.563 0.025 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 -8.696 -5.388 2.833 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 -3.804 4.519 -0.967 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 -2.137 3.071 5.679 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 -11.490 -3.724 -15.146 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 14.987 -8.377 5.407 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 -1.027 0.766 -2.209 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 9.899 9.216 -8.629 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 8.785 7.712 -6.983 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 2.720 -1.121 -4.863 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 -9.002 1.254 10.161 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 5.808 18.684 -14.800 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 -4.244 -5.504 -3.802 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 -12.530 -2.724 14.862 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 -6.856 5.313 -14.050 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 -1.080 6.016 1.130 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 -0.668 2.932 1.186 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 9.934 8.037 17.623 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 2.457 0.791 0.181 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 5.571 -2.072 -0.495 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 2.839 -1.515 1.873 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 3.259 -1.436 -3.126 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 0.201 1.527 9.637 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 5.526 1.570 7.604 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 3.150 1.388 -3.497 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 9.047 -3.328 -0.242 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 10.374 4.980 -0.658 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 0.055 -0.966 -3.252 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 5.516 -0.600 -16.894 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 -0.226 16.047 -0.087 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 -2.939 -2.907 6.349 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 -19.354 -0.523 1.249 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 0.738 -16.065 18.299 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 -1.351 4.711 -2.873 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 -12.661 -11.091 -24.045 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 -11.033 8.346 4.159 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 3.781 -2.086 -6.663 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 -4.076 -6.146 -10.501 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 -18.485 -14.469 -18.472 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 -3.033 1.839 -0.970 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 -6.608 5.557 45.385 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 3.604 0.389 -6.689 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 0.443 -3.634 -0.114 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 15.922 -6.346 -6.805 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 18.451 -7.053 -6.478 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 -0.978 3.059 -2.943 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 -5.944 -3.236 1.701 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 -11.689 -8.820 -8.625 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 7.326 0.958 -4.050 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 15.411 -16.388 -18.584 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 5.395 7.168 0.990 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 0.047 2.993 -2.510 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 5.875 -1.200 -6.997 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 -9.721 5.771 9.744 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 4.155 3.495 4.540 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 -15.916 -5.756 13.191 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 13.676 10.181 24.854 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 1.279 7.240 -1.856 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 -12.852 -1.667 -13.055 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 2.508 5.703 -5.146 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 -0.505 1.453 -0.248 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 10.735 -11.064 -1.020 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 -8.436 6.254 5.419 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 -9.532 -1.122 2.091 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 -4.532 -6.223 13.112 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 -7.780 3.869 -0.055 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 1.249 -5.602 -3.840 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 -14.778 -5.916 -9.044 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 12.666 -0.684 -2.453 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 -3.095 -4.341 2.680 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 5.222 -10.416 9.948 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 5.374 -8.221 5.356 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 6.269 -1.778 0.689 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 -6.759 -17.768 16.139 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 -5.260 8.379 2.553 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 1.470 -5.013 2.422 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 -15.319 -5.154 10.569 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 -6.564 4.269 -30.161 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 5.734 -3.042 3.182 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 -0.182 -14.442 -10.031 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 -4.181 -4.523 18.727 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 -1.693 4.804 1.112 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 5.452 -8.070 -4.766 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 4.609 3.110 -6.108 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 -2.178 1.010 2.272 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 -2.664 -1.432 0.211 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 -7.005 10.629 3.854 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 -2.402 5.071 -3.424 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 12.291 -3.261 -18.990 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 -2.350 8.355 -0.381 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 4.528 -0.195 3.745 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 -18.339 -3.744 -8.360 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 5.965 15.838 21.655 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 -0.264 3.309 5.725 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 -3.234 5.120 14.347 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 14.439 8.387 2.002 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 -5.374 -5.821 -2.914 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 -17.751 -22.642 -14.312 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 -12.433 -10.234 18.452 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 -2.271 4.608 -0.004 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 9.628 -8.216 7.782 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 -2.425 19.223 13.095 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 -0.313 -1.619 -3.615 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 1.829 15.608 12.235 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 -13.199 1.158 14.317 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 0.888 -0.848 -5.786 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 -11.007 -1.728 -4.497 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 3.997 3.431 7.261 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 -2.459 1.689 -1.538 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 0.498 -1.669 -2.784 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 -2.342 11.720 6.843 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 2.353 4.599 -3.166 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 1.816 6.004 10.380 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 4.672 -11.569 -34.365 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 -0.430 -1.213 -0.473 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 1.921 -21.965 -1.078 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 11.327 3.192 -12.976 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 -0.297 -1.727 -0.079 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 -7.705 -16.400 -29.671 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 -0.872 -2.201 -0.853 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 5.554 -5.662 0.129 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 -13.207 4.511 -4.303 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 10.699 3.336 -15.107 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 -0.602 -5.013 -5.097 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 -3.705 11.951 -6.262 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 2.598 -28.008 0.016 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 -0.449 0.363 1.773 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 0.576 -1.233 2.744 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 -0.208 0.597 1.040 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 -0.319 0.343 -6.394 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 -5.072 3.218 1.814 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 -4.154 -2.472 -9.329 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 -4.434 -1.354 6.619 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 -14.900 2.897 2.627 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 -13.297 0.424 8.510 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 1.443 1.471 -0.477 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 -2.216 12.205 -12.778 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 -4.801 9.807 -4.517 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 3.726 1.898 -5.036 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 -24.929 -4.761 3.210 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 17.554 -12.001 14.887 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 -4.534 -2.224 2.713 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 8.507 -14.469 18.831 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 -13.627 10.617 0.967 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 0.349 -3.289 -2.919 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 12.739 -8.360 6.682 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 20.922 -3.841 16.087 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 -4.476 -4.326 -2.727 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 -5.326 1.331 10.033 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 -0.348 7.992 -5.159 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 2.927 0.158 1.753 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 1.723 0.490 0.682 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 10.228 5.900 6.753 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 0.559 -0.290 -2.280 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 0.785 13.658 -13.512 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 -14.319 -11.538 15.245 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 2.429 7.861 8.019 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 -12.482 11.621 -12.107 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 -26.340 22.340 -9.802 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 0.401 2.651 10.107 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 7.239 -32.960 0.896 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 -3.889 -6.859 7.801 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 5.917 0.330 3.701 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 8.887 8.164 2.956 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 0.029 -0.944 -6.869 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 5.108 -0.947 1.230 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 -16.054 -1.153 8.664 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 -31.236 -8.576 -6.103 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 2.349 1.217 -7.587 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 0.079 2.790 -9.236 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 7.350 -12.793 3.215 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 -2.809 -0.059 7.019 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 -6.177 6.924 -5.726 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 -0.808 -5.720 18.874 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 1.861 1.110 0.856 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 -28.210 -2.398 -0.063 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 -7.084 13.250 -11.917 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 -7.467 5.397 -2.854 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 8.447 6.318 2.814 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 4.288 9.017 -2.009 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 -2.805 8.109 -0.778 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 40.024 -0.157 1.107 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 9.144 -3.723 19.910 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 -4.443 -0.261 -9.109 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 4.310 31.120 -24.100 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 1.705 -24.528 0.510 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 1.667 -5.150 0.540 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 -10.226 5.214 -11.389 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 -6.889 7.794 14.913 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 0.479 0.212 -7.311 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 -9.631 -5.653 1.358 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 0.294 -20.780 2.994 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 -0.706 6.659 2.269 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 -3.288 0.782 17.542 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 14.705 1.234 -4.592 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 1.693 -9.378 3.443 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 -6.411 2.706 9.224 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 0.907 -29.747 -16.393 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 0.892 -6.787 8.218 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 16.354 -11.179 -17.482 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 4.232 -9.972 3.310 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 1.195 -4.437 -1.502 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 3.881 -10.248 6.620 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 7.181 16.827 -19.632 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 0.168 -2.979 -0.834 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 -0.671 19.906 -13.666 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 0.175 -15.773 4.329 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 -1.267 0.560 -2.783 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 16.635 -11.504 -20.513 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 -8.211 -3.123 -14.412 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 2.212 1.434 2.703 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 4.751 2.215 24.668 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 15.915 -6.412 -11.123 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 2.644 -0.639 -1.613 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 0.542 -6.264 17.553 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 7.518 -0.718 -25.185 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 -1.468 -0.836 0.505 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 6.034 0.026 -5.966 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 16.021 -5.098 -11.640 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 -3.165 -1.448 0.414 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 -0.509 2.188 5.449 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 -1.949 -18.155 8.268 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 0.648 7.788 -3.844 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 5.979 -17.581 2.846 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 3.625 -0.913 -19.602 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 2.751 0.696 -3.751 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 -4.917 -4.400 7.134 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 15.715 -6.544 -3.718 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 2.301 -0.885 5.466 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 -3.663 -7.667 -18.774 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 16.304 2.636 17.209 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 0.810 6.409 -2.892 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 25.276 10.886 4.430 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 -6.935 -6.961 -8.907 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 1.433 -2.266 -2.837 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 2.280 -10.794 -13.984 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 4.722 -37.022 4.686 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 -0.140 1.279 8.482 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 6.557 0.232 3.821 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 -8.617 -1.570 14.367 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 2.544 -2.324 -4.063 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 -8.304 -3.825 -9.760 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 3.358 -4.066 5.633 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 -2.521 0.362 -4.443 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 6.772 -7.301 2.870 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 1.621 -1.783 -1.316 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 10.050 -1.675 -3.861 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 11.831 1.794 -6.264 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 8.619 -4.106 -2.787 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 -1.208 2.929 5.845 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 0.766 5.736 0.863 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 -8.169 -0.975 8.151 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 1.041 2.633 4.033 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 -17.209 -1.364 -2.695 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 -5.238 -2.317 27.121 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 -3.620 -1.740 4.410 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 -4.775 18.240 9.724 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 -3.426 -13.376 -0.968 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 -0.785 -3.039 -1.726 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 -17.703 -12.745 -21.775 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 28.426 -21.847 24.765 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 1.886 3.493 -5.757 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 -0.274 -4.220 -13.167 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 4.416 9.928 -11.386 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 0.208 1.618 0.455 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 3.470 -5.777 10.514 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 3.021 -2.169 7.473 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 0.680 4.112 1.233 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 4.944 10.149 20.925 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 -12.427 -16.278 1.290 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 4.600 -4.151 2.304 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 -4.875 -22.351 -4.886 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 1.844 -7.392 8.337 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 0.203 4.998 2.111 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 -12.133 13.718 5.396 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 22.378 9.002 8.915 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 -0.961 -4.783 -5.241 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 -5.616 -6.464 -1.471 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 -3.307 -1.836 -0.517 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 -3.362 -1.298 -4.764 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 -2.270 -5.066 1.288 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 -11.207 6.283 -3.633 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 -2.217 -3.164 0.534 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 4.799 -9.675 4.470 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 -1.823 -3.976 -10.911 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 -3.077 -0.533 5.620 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 0.153 15.998 16.394 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 -1.554 25.033 8.951 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 2.583 5.548 5.428 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 -14.800 15.203 9.335 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 23.645 -1.331 2.620 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 3.890 1.481 -3.482 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 -4.590 9.654 -10.894 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 -5.945 -10.391 1.331 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 1.500 -4.633 1.796 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 13.193 -3.795 10.387 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 0.848 -15.819 2.564 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 1.116 9.186 -1.689 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 -9.323 23.078 18.409 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 -1.447 -6.139 -5.691 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 3.953 0.857 -6.101 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 17.779 21.734 -9.443 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 9.123 9.069 -7.193 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 -2.806 -1.063 2.916 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 -15.438 11.791 16.720 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 0.463 -11.870 -4.127 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 -4.481 1.213 3.445 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 -4.570 10.478 29.103 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 8.125 -2.017 -14.936 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 0.428 -0.770 -4.728 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 4.951 -6.859 -9.707 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 4.540 -7.469 -3.568 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 2.981 5.949 -0.565 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 0.647 -17.778 -5.254 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 4.149 5.811 -0.643 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 -6.015 -0.244 0.603 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 -8.377 -18.284 -22.916 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 10.813 -12.557 -24.658 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 -1.956 -1.419 6.156 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 17.152 -19.342 5.269 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 -9.101 9.625 -14.060 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 0.200 -1.858 -0.479 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 11.501 5.287 -5.610 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 21.207 12.912 -7.577 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 4.841 3.179 9.921 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 20.617 26.482 16.425 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 3.256 15.791 14.957 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 1.744 4.823 2.330 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 -18.203 -3.920 -6.650 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 -5.794 4.075 2.820 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 0.991 -0.924 -1.177 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 1.258 5.059 -4.124 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 -0.604 -4.057 1.866 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 -0.845 -0.648 -4.704 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 11.359 -2.440 -1.650 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 -16.836 1.594 -10.324 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 2.425 2.288 1.099 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 2.085 3.318 8.205 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 -4.284 8.435 16.555 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 1.062 8.386 2.404 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 7.968 23.025 1.822 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 -13.399 10.879 -5.305 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 -0.979 0.130 -0.483 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 19.389 1.304 -0.818 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 15.831 1.814 -31.305 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 -1.733 -1.441 8.017 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 -3.794 6.603 11.202 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 4.282 -2.612 -4.756 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 0.090 7.188 -5.812 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 4.882 -4.831 -1.408 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 -13.093 -17.459 -3.369 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 -0.698 -5.009 1.545 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 -1.668 1.279 5.397 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 2.429 -10.228 4.953 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 4.480 -11.186 4.910 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 8.483 8.973 0.399 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 3.538 -7.560 12.743 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 4.474 -0.068 -1.968 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 5.331 1.333 -2.258 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 13.732 -1.210 -16.247 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 -2.758 -6.212 -4.490 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 -4.204 -4.839 9.234 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 -9.354 3.615 -9.816 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 3.316 -1.268 -0.201 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 -24.786 -14.319 1.608 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 33.577 -0.546 -13.247 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 -2.340 -3.615 -6.269 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 5.546 -6.705 16.172 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 -14.457 15.279 -1.996 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 1.100 -2.284 0.020 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 -2.454 -4.554 -1.471 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 -8.853 -10.043 -4.822 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 3.343 0.381 -6.329 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 2.522 -22.628 -13.586 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 4.854 -8.201 1.729 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 4.821 -0.259 0.883 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 10.115 -7.032 18.069 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 -8.733 11.292 1.350 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 0.516 -0.602 -7.212 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 -13.071 -3.725 -5.385 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 -6.808 0.067 -4.433 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 -1.287 -1.397 -5.535 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 -6.764 -4.067 -7.118 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 -5.590 8.143 -2.030 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 -0.529 5.307 -9.552 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 -16.430 -3.573 6.633 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 -9.943 1.926 0.601 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 3.710 -4.827 -5.583 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 10.785 -2.885 -15.801 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 -16.663 -7.461 17.882 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 0.602 1.060 7.387 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 -7.553 16.779 7.789 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 -0.405 5.479 7.163 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 1.232 1.399 -0.829 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 1.828 2.422 -3.139 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 15.577 8.459 15.978 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 0.570 -0.496 3.862 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 -2.287 -10.058 -4.257 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 3.430 14.618 6.095 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 3.389 -2.070 -1.504 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 13.713 -2.288 9.406 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 -1.694 -3.335 1.311 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 5.237 -7.881 -0.303 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 -6.205 -1.314 0.320 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 15.552 15.479 9.425 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 5.245 2.355 2.242 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 15.023 1.129 12.351 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 10.076 7.600 1.649 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 5.287 -1.717 1.952 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 -15.409 -13.489 29.775 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 46.587 12.381 -34.141 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 -0.713 3.967 -0.834 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 -0.401 9.008 -0.169 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 10.473 3.077 3.261 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 -0.735 2.024 -2.104 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 -7.519 23.359 6.828 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 -3.947 4.122 3.124 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 -3.477 0.046 5.373 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 -4.151 -3.883 -6.911 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 -4.879 -5.547 -7.122 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 4.416 -2.332 -8.142 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 -24.160 -17.993 -6.864 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 -11.498 0.774 15.770 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 4.342 -5.961 -4.391 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 -7.189 0.029 22.893 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 3.344 -3.994 1.610 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 6.598 8.752 8.187 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 -13.596 0.899 11.783 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 6.056 -8.445 12.295 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 3.940 -2.692 2.884 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 9.226 -2.982 0.830 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 -6.688 -2.272 6.614 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 -1.845 -2.927 -3.034 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 10.907 8.982 2.780 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 -7.371 -6.290 16.483 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 -0.049 -6.621 -3.983 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 -6.356 -1.237 -8.422 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 1.957 0.277 -10.319 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 -1.321 -4.835 3.085 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 0.482 2.953 -9.833 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 -5.099 -8.591 13.169 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 -3.663 -2.156 2.601 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 -3.648 -10.686 14.026 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 10.495 -0.114 -4.125 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 4.043 1.229 -1.971 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 -7.163 9.632 -7.985 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 -0.994 -2.238 -0.464 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 1.573 -4.333 2.510 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 -4.063 1.121 7.726 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 7.928 -6.582 7.469 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 3.119 -2.058 2.179 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 0.929 9.820 17.915 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 16.501 -16.314 5.829 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 -3.933 -1.122 -6.880 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 14.216 -3.869 -16.689 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 25.077 -0.580 9.734 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 -1.408 5.959 -0.209 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 -0.945 3.600 -10.845 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 -25.951 -27.074 0.975 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 2.280 -2.798 -2.332 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 -7.697 10.585 -2.666 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 15.004 -25.217 -0.845 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 -7.197 -1.287 -2.075 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 -14.681 -14.443 -1.054 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 -15.315 1.303 -11.355 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 1.123 -0.001 -0.817 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 30.837 21.336 8.287 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 -4.089 2.730 15.034 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 0.882 -1.494 1.239 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 -14.436 5.102 3.626 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 -5.328 5.365 10.217 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 1.352 5.485 3.313 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 -7.533 13.344 6.875 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 -5.800 12.941 8.857 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 -5.642 -4.407 -5.240 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 -12.303 6.485 -4.373 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 -10.114 -6.015 -11.792 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 2.685 0.100 3.600 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 0.187 -0.130 7.423 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 6.127 6.036 5.806 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 1.428 7.195 -5.237 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 16.145 16.056 -0.772 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 -2.629 -2.578 9.353 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 -4.085 -7.281 -8.590 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 -5.753 -4.180 -2.745 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 -1.197 -14.585 -1.063 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 -6.710 2.265 -0.640 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 14.220 24.248 13.450 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 1.349 13.931 32.378 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 1.496 0.906 4.468 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 11.638 2.820 -16.340 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 14.434 4.737 -8.206 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 -0.380 1.345 5.776 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 -9.836 -17.044 27.896 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 -12.723 -9.720 -2.825 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 -5.209 2.066 6.166 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 -6.251 -9.776 14.157 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 -3.917 3.211 6.057 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 -2.164 5.078 -1.178 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 -9.967 -16.278 -12.774 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 -1.043 -17.060 -5.696 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 1.445 -4.929 4.033 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 7.992 -32.617 0.160 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 -1.755 13.631 6.319 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 1.141 -1.281 -4.698 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 -19.064 9.216 -8.806 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 5.715 12.516 2.725 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 -3.356 -2.566 -3.776 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 16.653 0.255 6.611 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 -20.391 -0.458 -18.015 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 -0.560 -1.177 -0.117 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 10.670 -8.531 -13.676 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 -12.305 11.469 -8.681 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 9.943 -7.401 3.238 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 5.844 -10.657 -2.058 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 4.169 -5.451 5.734 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 -0.642 -4.054 1.483 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 15.596 -4.196 -23.986 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 0.742 14.678 14.010 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 4.530 -2.308 -0.480 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 -2.306 1.145 9.684 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 -2.051 -7.578 -8.709 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 -5.149 2.716 5.753 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 3.307 10.275 -8.152 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 -6.055 12.741 7.875 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 -3.853 -0.085 -0.337 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 -16.783 -3.299 16.304 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 1.131 26.609 21.529 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 6.956 -5.314 -0.969 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 17.767 1.579 -9.103 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 10.338 1.306 14.751 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 -0.227 -2.860 -1.863 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 0.382 -0.342 -4.010 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 -0.072 -2.264 -2.589 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 0.408 3.607 1.392 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 10.153 43.132 6.815 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 2.398 -24.739 -9.041 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 0.501 -1.998 -3.982 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 -10.713 5.058 -9.213 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 7.389 2.281 -16.310 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 0.569 0.968 2.087 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 0.965 23.489 -25.297 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 0.525 10.636 -8.329 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 0.322 -1.888 4.283 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 23.027 -6.997 -8.948 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 6.099 -22.295 -11.967 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 10.226 -1.978 -3.812 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 28.810 -4.451 -10.439 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 12.652 -3.123 -12.769 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 5.303 -0.739 -1.712 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 5.223 2.627 15.640 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 19.539 -13.246 0.384 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 -2.627 2.815 2.501 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 -10.597 21.643 -21.546 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 1.337 0.509 2.195 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 -4.565 0.933 3.618 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 -5.390 4.887 -1.589 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 -16.754 7.223 -5.250 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 4.525 -0.897 0.929 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 3.884 5.033 30.619 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 -22.108 -11.084 -4.372 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 -6.282 0.033 -4.513 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 -2.754 1.609 2.638 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 -20.178 -3.924 -0.295 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 0.487 5.149 0.033 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 -2.370 -5.571 -19.831 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 1.573 -1.222 9.804 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 -1.570 1.587 -2.856 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 -3.712 -2.435 7.920 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 0.359 2.204 10.467 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 -3.198 2.326 -0.174 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 -2.121 -8.287 -8.342 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 10.441 16.933 23.301 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 -1.304 -2.236 2.965 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 -18.211 1.996 11.147 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 21.844 -0.469 -7.514 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 -1.805 -1.157 -2.579 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 -0.908 -9.695 -1.200 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 -7.703 0.154 5.790 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 0.963 -7.054 2.109 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 -0.738 -26.766 12.394 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 15.077 -17.885 -12.472 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 1.845 -5.696 -3.985 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 1.764 -6.239 -6.621 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 2.438 -7.904 -5.281 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 -0.451 8.017 1.557 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 2.119 9.706 -5.098 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 0.365 6.159 3.046 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 8.429 -1.801 2.999 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 42.407 12.320 -6.162 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 2.016 -8.776 10.468 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 -2.243 -2.969 -1.373 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 10.878 7.820 0.262 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 -10.176 4.099 -2.167 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 0.638 0.012 3.009 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 -5.215 -7.628 -1.794 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 -5.590 -6.642 -0.375 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 1.389 4.817 -2.074 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 -9.049 -1.928 9.923 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 -1.019 -1.345 -11.391 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 1.936 -5.572 1.049 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 -6.717 0.178 -7.410 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 4.060 -0.104 -11.604 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 2.447 2.142 -3.447 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 0.550 7.415 -8.217 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 -21.991 12.039 3.245 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 -5.088 -2.808 0.217 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 -21.133 1.669 -5.729 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 -17.158 0.100 4.635 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 1.418 -3.064 5.616 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 11.259 -5.553 25.282 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 -5.595 -2.901 -12.221 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 -6.404 5.917 1.908 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 -0.415 4.045 11.758 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 11.543 -5.864 -8.293 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 -6.518 5.213 4.732 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 -14.647 -1.083 -2.444 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 1.006 2.564 4.595 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 3.861 5.687 3.861 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 -5.701 9.376 2.838 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 -9.597 -11.467 -15.556 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 -2.777 2.506 2.841 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 -6.618 14.347 9.998 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 6.359 -15.239 11.357 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 0.424 -1.539 -0.476 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 -7.330 -2.162 -9.345 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 -2.193 1.861 -9.613 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 2.880 -9.619 3.993 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 -16.288 -4.480 -0.855 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 -29.917 12.135 6.018 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 -2.872 1.267 -4.392 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 -3.347 0.727 -4.272 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 0.345 7.024 -12.843 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 3.852 -0.648 -1.603 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 -23.826 1.318 33.181 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 20.263 -34.497 2.411 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 5.845 -3.685 -1.332 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 -8.949 2.909 13.824 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 20.583 9.485 0.834 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 -1.974 3.701 4.173 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 -5.425 -6.420 -5.233 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 -3.255 2.815 5.773 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 1.074 7.950 2.402 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 16.123 27.989 9.366 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 -14.638 11.128 -17.005 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 1.303 1.363 -2.209 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 6.090 -4.752 -0.481 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 -0.888 -1.555 6.902 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 5.776 5.627 -5.441 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 3.691 -1.637 -11.825 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 -0.887 1.240 13.107 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 -2.404 1.113 1.143 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 -14.654 -18.760 -4.224 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 4.965 15.294 3.490 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 -3.230 1.589 1.924 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 -1.059 14.753 21.555 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 4.328 -5.527 -22.217 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 0.169 0.538 4.524 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 -6.181 12.167 6.621 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 1.458 0.988 4.743 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 2.131 2.439 -4.503 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 8.385 -10.081 -37.646 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 6.098 3.525 -3.870 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 2.240 -2.559 0.934 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 10.228 1.597 -4.849 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 -6.039 -4.503 7.529 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 0.586 2.504 -1.242 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 -7.532 -3.731 11.091 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 2.330 -15.526 -20.957 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 4.262 1.580 -4.299 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 -0.670 14.395 -8.956 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 4.583 -11.106 -7.821 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 -2.564 5.055 5.429 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 2.082 1.409 1.520 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 3.927 -17.795 -8.215 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 1.665 4.200 3.875 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 8.620 9.429 -0.434 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 10.157 -0.852 2.686 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 2.703 -2.443 0.657 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 -4.704 -1.569 -1.238 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 -28.255 3.779 2.152 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 1.858 -7.329 2.757 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 -1.755 -14.825 7.224 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 -6.677 -2.970 -4.200 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 -0.538 -2.526 0.714 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 21.524 6.048 24.890 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 -2.858 -11.480 -10.073 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 2.163 -1.677 -7.532 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 -11.823 -9.069 15.197 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 9.554 -20.126 -2.496 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 -0.636 4.703 -2.846 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 -24.195 -2.526 1.880 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 16.336 -9.696 16.800 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 -3.422 -0.161 6.950 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 23.307 7.310 32.905 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 -2.169 -11.020 -17.757 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 1.627 3.560 -0.178 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 6.705 -8.641 -16.304 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 -21.291 -3.974 1.686 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 -5.360 4.781 2.075 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 19.850 -6.534 -1.783 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 -12.994 5.362 6.273 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 6.121 -1.175 -2.124 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 23.686 10.784 13.258 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 -13.200 9.222 -1.794 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 -2.883 -5.921 6.031 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 -8.371 10.951 -12.842 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 -21.001 -17.256 -13.171 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 -3.997 4.255 -3.113 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 2.566 11.380 -10.813 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 7.496 3.239 6.017 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 -0.695 2.343 -6.043 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 2.890 -20.231 -21.005 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 -5.850 13.505 -9.301 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 3.478 7.773 2.031 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 -11.665 19.284 -7.997 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 -5.266 12.493 0.003 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 0.783 3.397 3.908 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 20.015 7.733 -16.970 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 13.195 1.905 40.149 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 -2.349 -1.681 -2.439 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 15.910 -6.209 -1.038 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 -33.351 6.638 -0.713 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 -3.022 -5.760 -2.199 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 -8.625 -23.172 8.357 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 -18.533 26.578 31.555 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 1.569 2.137 -3.118 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 3.781 11.352 -7.690 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 -1.203 -9.215 -5.378 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 2.397 -1.011 1.602 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 13.386 -0.027 12.512 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 -0.295 -18.832 -0.497 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 -1.021 -1.360 5.045 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 -16.618 15.651 -3.208 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 -19.040 26.572 -13.532 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 -1.627 1.250 -3.663 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 -2.087 -5.097 14.518 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 1.400 -2.125 -0.262 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 -3.182 -3.053 2.999 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 13.935 15.716 7.312 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 12.920 28.634 -1.176 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 -6.519 3.725 5.470 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 19.181 -6.024 -4.645 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 -12.264 25.360 -11.168 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 -1.347 2.374 4.452 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 1.266 8.170 3.111 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 -2.569 -10.624 -0.324 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 1.597 1.228 -3.034 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 -2.341 2.766 4.350 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 2.718 3.928 -22.215 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 -3.852 -9.042 2.809 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 2.947 -22.782 -1.789 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 -5.203 -0.580 -0.782 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 -1.762 -1.584 -5.603 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 0.930 30.533 -3.234 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 -4.844 -27.054 -7.777 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 5.607 -4.653 -3.341 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 8.358 -2.478 5.401 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 -1.709 -1.752 -1.490 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 -3.381 -5.303 -3.692 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 13.894 21.887 -19.466 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 1.129 -16.065 -6.915 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 2.178 -4.257 4.594 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 7.616 4.792 19.608 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 -8.199 -21.027 -23.161 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 -1.713 -8.998 -4.162 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 -3.435 4.118 -6.798 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 -4.681 19.252 -6.175 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 -1.316 -1.227 -6.778 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 -19.463 -18.099 -11.001 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 16.575 -12.774 9.745 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 -2.736 -3.388 3.934 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 1.296 32.652 -6.901 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 -0.795 11.143 -0.913 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 2.058 -2.093 -3.157 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 -17.214 -25.491 -18.963 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 -11.472 -1.612 23.747 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 -2.118 7.084 4.941 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 -2.299 -12.932 -2.035 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 -7.422 -0.626 19.098 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 1.657 2.886 -9.206 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 5.446 -4.330 -10.137 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 10.860 0.367 -11.182 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 -2.098 0.316 1.590 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 11.936 -9.271 6.041 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 14.420 -16.459 -6.383 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 -1.779 -5.196 2.722 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 1.989 -5.027 -3.026 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 2.385 -8.490 -1.319 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 3.536 -0.835 -0.807 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 12.348 -1.909 -6.922 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 -13.162 3.202 9.892 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 4.327 3.099 -7.433 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 11.859 -6.901 -21.994 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 -36.556 -17.137 -1.455 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 0.662 -6.466 2.365 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 0.962 18.972 -5.555 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 10.171 -20.005 -8.336 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 -4.442 0.367 -1.021 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 23.329 6.323 21.333 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 -32.120 -2.200 13.025 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 7.220 0.112 -1.571 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 -3.431 -17.290 4.394 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 20.713 -2.912 -3.682 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 -1.970 1.849 2.851 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 -4.087 4.190 -3.438 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 -7.976 16.556 17.567 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 -1.191 6.274 -2.806 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 -8.474 10.004 -4.863 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 10.616 0.505 1.821 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 7.385 1.240 -0.615 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 -14.962 9.930 7.350 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 26.930 -6.969 -11.375 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 -3.625 2.930 6.231 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 -26.083 14.382 -11.671 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 3.802 -0.555 12.359 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 2.139 3.176 -0.749 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 -3.841 -5.921 12.984 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 7.570 11.028 -4.510 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 5.116 1.906 -5.534 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 8.761 -0.190 -3.980 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 1.452 -3.577 -9.032 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 -0.026 4.528 0.288 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 -0.402 -3.191 0.133 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 -3.015 -4.493 -5.332 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 -0.494 1.461 1.967 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 11.786 10.912 -7.186 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 -2.594 3.365 -1.203 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 2.153 3.566 0.689 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 -8.953 3.451 1.909 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 -15.294 -14.698 -3.484 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 -4.062 5.219 -0.900 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 -3.515 -4.636 -0.136 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 1.528 -3.407 9.025 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 -1.806 0.756 -3.656 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 12.243 10.330 -17.078 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 6.904 5.162 11.647 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 -2.731 -0.418 -0.860 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 3.640 -7.917 -6.972 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 -13.194 7.029 -11.268 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 5.047 4.119 -3.549 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 16.438 -5.434 4.281 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 6.025 20.474 3.494 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 -2.171 -1.930 4.512 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 4.407 -11.344 5.804 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 -8.466 5.534 -6.093 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 3.088 -4.447 -2.824 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 -8.428 -16.667 -19.939 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 -7.133 9.255 3.873 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 -0.167 -2.292 -7.865 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 -1.964 -8.029 3.483 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 -4.399 -15.078 16.928 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 -6.873 -5.036 8.030 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 16.788 6.392 2.388 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 -7.842 -14.446 -7.133 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 -0.775 -0.129 3.364 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 -13.626 0.822 -0.212 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 5.483 10.220 -3.063 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 3.192 -1.955 -2.723 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 22.118 21.944 -7.169 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 -21.101 -17.278 1.561 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 -0.599 1.282 -0.924 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 3.388 3.354 3.203 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 2.014 3.058 3.165 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 3.081 2.906 3.327 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 11.688 6.222 5.526 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 -7.374 -0.772 -0.355 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 3.488 -3.872 1.570 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 -1.613 -4.187 0.305 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 -9.393 -6.180 0.257 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 -0.337 9.953 5.770 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 7.791 2.724 35.073 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 16.816 -7.981 -12.099 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 3.312 -0.331 -1.678 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 -18.888 5.271 15.731 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 -19.942 -6.990 -9.655 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 0.941 -0.516 -2.675 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 5.299 -4.868 13.282 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 -16.574 6.607 1.203 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 4.360 5.258 0.698 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 -0.374 -10.934 3.426 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 3.138 -0.494 5.413 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 -7.953 -0.502 0.740 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 -3.756 10.185 9.718 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 -2.464 4.970 3.887 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 -0.926 -4.452 3.442 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 3.337 -0.047 6.471 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 12.940 0.170 12.156 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 -1.070 -0.704 0.502 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 -13.520 7.861 -1.599 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 -0.621 -1.042 4.893 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 5.756 -3.362 3.278 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 -2.740 -6.561 -22.936 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 1.888 -0.978 9.089 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 -3.030 -0.175 2.168 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 11.007 -5.853 10.621 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 0.617 14.231 3.575 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 -8.448 5.992 -5.162 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 -4.249 -10.308 17.143 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 1.312 21.365 -7.487 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 3.482 -0.182 1.951 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 3.571 -2.208 1.653 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 13.112 6.189 -3.849 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 3.840 -6.012 -2.841 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 0.961 -5.638 8.007 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 -0.203 12.677 -9.772 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 2.571 -2.417 1.264 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 -3.765 -5.488 -7.487 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 9.050 2.968 9.016 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 1.611 0.478 2.034 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 -7.841 -18.725 -9.621 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 -7.648 16.735 -23.858 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 0.071 6.502 2.192 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 23.489 8.826 -1.758 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 -4.147 6.673 12.191 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 -2.428 -0.617 0.145 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 17.619 -0.322 -2.688 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 -3.376 1.092 15.466 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 5.529 -1.669 -4.141 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 3.870 -3.152 -5.263 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 16.626 18.465 18.989 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 4.808 6.656 1.493 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 6.369 -11.655 -1.827 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 -7.921 9.858 6.878 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 -0.778 4.441 -2.397 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 -1.939 -10.292 12.145 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 -16.877 24.839 3.402 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 -4.160 -1.971 -3.743 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 -22.731 -5.477 -4.234 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 -8.062 5.344 10.660 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 -5.440 -1.374 4.905 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 7.080 10.458 9.407 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 -21.539 -13.008 -0.957 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 6.096 -5.078 -3.928 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 -14.336 21.712 -27.355 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 7.911 -9.291 23.663 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 -0.735 7.056 2.815 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 11.116 21.054 10.467 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 -3.655 -1.676 3.293 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 -2.907 -4.410 1.361 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 13.002 -1.199 2.106 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 -3.294 14.526 10.085 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 1.470 -6.295 -1.401 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 1.992 -13.197 1.607 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 0.733 -12.954 -18.058 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 0.951 -2.358 -1.748 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 14.047 -4.628 -4.491 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 2.478 -2.072 -1.194 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 -4.364 2.978 -0.585 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 2.620 -9.382 0.357 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 5.038 -8.007 -3.107 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 4.239 7.459 -5.676 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 24.771 10.165 -18.358 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 5.765 19.399 17.527 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 9.533 -0.875 3.347 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 -15.529 9.417 -25.785 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 6.953 0.182 -0.378 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 -2.659 -0.972 -1.592 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 -12.623 -0.213 5.196 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 1.955 -2.224 -3.052 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 -2.088 -0.978 4.616 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 -12.526 0.499 3.793 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 -8.532 -5.776 16.377 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 1.559 -4.435 2.132 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 2.599 9.836 -5.381 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 -10.936 -7.117 7.813 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 3.630 5.114 -5.993 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 -2.211 -24.402 13.520 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 -11.703 16.130 -16.248 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 -1.641 -3.654 -8.224 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 5.278 -16.397 -13.798 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 -13.413 6.847 0.523 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 -2.821 -1.165 -0.789 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 -2.919 -1.492 7.769 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 -7.277 -1.630 -5.195 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 -3.394 -1.247 0.030 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 -2.994 1.652 -0.059 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 -3.886 -12.940 10.804 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 4.090 -0.205 6.244 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 -13.594 -10.580 -2.573 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 5.161 -11.105 9.135 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 0.573 5.749 0.394 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 -21.656 10.090 -3.231 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 -0.575 7.070 19.170 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 -1.429 9.822 -6.844 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 -7.545 -14.229 -4.652 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 4.177 -27.772 -2.155 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 1.137 -4.289 3.202 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 13.663 -2.597 24.013 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 2.128 -9.553 1.283 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 -5.357 -6.000 -2.170 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 -3.167 10.528 -15.823 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 24.175 -12.251 -0.677 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 2.952 4.796 2.993 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 -2.800 -12.187 -15.466 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 -5.551 -14.832 7.990 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 5.516 -3.673 1.396 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 4.698 -15.790 -14.030 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 -4.696 -11.223 -14.632 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 -1.525 0.193 -2.157 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 7.131 1.777 -2.726 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 -0.488 1.653 4.781 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 -0.783 4.712 -5.798 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 -4.320 -6.342 -11.662 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 -6.661 -7.400 -5.091 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 2.804 -2.499 -5.313 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 2.408 -2.320 -5.252 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 -15.324 -6.391 11.546 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 -8.327 -0.119 4.824 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 -15.075 9.569 -4.506 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 5.667 6.478 7.062 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 -3.872 -0.051 -1.754 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 -11.539 -16.292 1.292 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 -5.287 9.672 -14.280 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 0.893 -3.206 -0.355 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 -15.212 -7.001 7.999 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 -13.809 -5.298 7.712 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 3.467 -9.352 1.585 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 8.501 -14.347 10.865 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 -3.948 0.792 -4.267 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 -1.682 0.100 -4.770 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 1.461 6.205 28.200 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 9.453 6.666 4.441 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 1.070 3.859 -0.577 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 0.488 0.869 11.595 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 -1.654 17.197 -8.092 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 0.778 6.670 -1.764 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 0.997 7.172 -0.125 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 0.009 6.591 24.968 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 0.763 4.245 4.392 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 6.706 8.561 4.281 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 0.373 1.137 5.541 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 -1.733 -3.026 -5.604 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 4.741 -0.340 -10.013 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 31.284 8.472 -30.616 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 1.930 -0.411 1.860 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 -5.281 -1.009 27.574 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 10.458 10.928 11.934 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 0.620 -0.050 0.363 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 15.025 12.133 9.742 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 -19.648 -14.948 5.770 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 1.352 -2.856 -0.288 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 0.684 4.159 2.645 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 2.686 -4.822 1.191 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 -1.703 3.310 1.460 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 -22.750 -7.769 27.698 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 -16.082 -19.338 -17.948 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 -0.343 -2.318 5.459 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 7.407 2.228 0.264 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 7.436 7.212 -8.258 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 -3.330 -0.097 -0.790 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 -21.335 -4.058 -13.437 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 -9.865 17.687 -13.491 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 -5.135 2.682 -2.167 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 8.516 3.907 -3.068 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 -9.369 5.995 9.050 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 -2.219 -0.941 2.652 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 -9.908 6.013 -0.257 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 -11.297 -5.864 5.984 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 -2.681 4.390 -3.296 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 1.198 27.779 -13.983 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 -2.616 23.212 -2.589 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 -2.564 -0.284 -0.928 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 7.660 -27.316 21.773 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 12.785 7.421 -2.653 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 -4.289 1.787 11.647 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 -2.266 3.238 10.016 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 9.416 6.170 10.044 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 -0.473 4.994 -5.073 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 -12.551 2.975 -11.438 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 1.434 -1.837 -20.834 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 -6.689 -4.566 -0.676 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 -15.852 6.706 -7.222 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 1.953 2.744 10.570 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 -0.907 -0.612 2.602 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 -4.517 9.325 -3.293 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 38.644 -20.768 -11.041 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 -0.081 -8.719 -11.736 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 23.811 -13.311 -15.264 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 0.799 4.654 -14.558 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 2.478 -0.654 3.023 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 -6.016 -2.754 14.906 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 -9.313 0.298 -6.626 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 0.347 4.145 4.040 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 16.010 -20.278 1.515 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 -1.291 5.388 1.971 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 -2.413 -4.879 0.054 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 0.817 22.776 -6.465 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 5.491 8.367 -6.131 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 0.803 1.525 3.471 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 6.873 12.107 -5.708 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 2.648 -12.419 -4.222 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 -10.730 0.433 3.042 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 -1.381 1.358 2.369 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 -3.747 0.033 2.199 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 2.397 -5.215 0.038 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 2.161 -7.675 2.418 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 -24.465 4.643 -0.070 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 -0.833 -2.600 2.769 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 1.652 -5.115 6.280 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 0.827 2.602 6.704 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 -5.618 3.160 -2.010 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 -26.397 -0.573 -21.394 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 -4.893 -0.646 1.789 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 4.983 -1.220 6.736 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 7.853 -2.960 32.924 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 13.800 1.728 -10.708 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 -0.326 -0.120 -3.746 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 -26.773 -13.902 -9.913 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 11.859 -0.568 -1.189 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 2.495 -2.027 -1.106 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 -6.678 3.680 9.864 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 3.788 -4.530 -4.470 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 0.097 0.145 -0.860 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 2.897 -12.240 -1.509 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 5.328 3.982 -0.141 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 0.077 2.289 1.948 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 6.544 7.907 -6.708 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 0.558 15.570 -5.130 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 3.498 -0.318 -1.443 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 5.848 22.535 5.354 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 -22.443 -3.969 -3.740 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 -4.911 -1.433 -0.749 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 -18.624 -25.204 12.740 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 -18.499 13.676 -26.680 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 -3.928 2.840 -6.635 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 3.215 -12.090 5.235 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 -6.437 4.066 -3.377 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 6.364 2.456 3.984 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 -3.423 3.013 7.591 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 9.314 -5.373 26.063 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 1.018 -0.340 1.613 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 -23.288 -11.192 -11.112 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 7.123 -2.918 4.932 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 -1.372 5.225 -7.415 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 -14.416 11.320 3.273 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 15.661 4.684 -0.976 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 -4.031 0.788 -1.976 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 -2.036 -14.609 1.016 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 9.582 4.355 -10.897 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 0.274 -5.482 1.610 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 2.800 8.829 -2.550 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 -6.765 6.356 15.527 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 -0.660 -0.652 -4.350 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 -5.368 -8.632 2.350 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 5.584 2.297 -6.520 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 3.166 0.801 -4.142 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 2.438 -6.881 -26.453 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 1.930 -4.820 -5.536 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 0.781 1.764 -5.875 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 -0.323 -3.891 -8.690 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 0.685 4.808 2.441 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 5.094 4.928 -0.697 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 -9.369 4.773 -1.220 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 0.217 -23.840 4.863 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 -0.945 4.366 -4.339 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 -8.008 -1.071 16.213 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 6.179 -6.804 -33.492 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 -0.224 -8.577 -0.354 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 -5.307 -11.046 0.171 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 -11.839 -8.715 9.912 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 0.105 -2.712 -3.022 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 -0.694 -3.779 -8.925 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 15.979 -4.555 -5.220 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 -0.741 0.335 0.170 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 -5.546 0.515 -6.914 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 8.980 4.080 -3.308 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 -0.343 -2.002 0.247 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 -12.084 10.026 1.224 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 -4.759 -22.456 14.353 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 0.430 -2.593 2.242 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 -8.978 -24.805 -6.773 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 6.276 -16.971 -22.940 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 -1.336 -5.067 2.816 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 9.605 11.766 7.794 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 0.797 1.499 -17.523 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 -6.850 2.469 3.493 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 4.078 -0.574 6.928 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 -15.450 6.313 4.093 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 2.995 1.016 2.201 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 6.861 17.035 -0.487 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 -1.178 0.473 -15.123 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 -1.930 1.556 3.730 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 4.760 2.700 2.215 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 -4.782 -0.573 -0.645 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 -7.518 -1.643 -0.241 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 -10.070 30.712 2.414 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 26.297 -13.576 6.535 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 3.755 -0.739 1.948 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 11.489 -12.201 -24.003 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 6.046 -30.186 -3.181 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 -0.762 3.312 5.587 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 -18.588 -2.470 -2.042 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 16.985 14.578 5.035 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 4.560 -5.280 2.918 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 1.830 -2.576 8.863 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 8.173 -5.364 -3.411 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 -1.638 -5.007 -4.968 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 -4.821 2.357 -2.826 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 -10.465 13.632 -6.879 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 -2.070 -3.323 -4.330 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 1.395 -18.215 1.497 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 5.820 -35.031 -1.290 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 2.064 -3.207 -1.484 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 12.904 -5.974 -17.019 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 -6.981 14.542 15.500 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 -5.801 -7.097 -3.729 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 -8.641 -4.184 -7.284 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 9.632 -16.633 9.965 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 3.338 4.668 6.080 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 -3.750 -24.318 18.362 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 16.496 1.949 -8.463 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 4.266 0.546 0.702 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 8.116 12.164 -5.294 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 5.994 -4.507 -4.890 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 -1.933 -2.201 1.165 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 19.779 -7.182 -25.558 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 -14.160 -13.197 -13.937 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 4.007 8.295 1.600 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 -11.978 8.639 11.576 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 14.815 10.029 3.361 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 -2.618 0.032 -0.231 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 15.779 -13.659 -12.252 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 -6.700 7.911 -7.768 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 1.697 -1.456 1.895 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 12.191 -9.660 -17.723 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 -2.991 5.171 18.950 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 1.303 3.326 -1.265 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 -3.592 -24.192 3.172 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 -12.874 6.156 12.023 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 1.854 -1.286 -2.945 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 5.991 16.824 -4.641 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 12.107 11.957 -6.176 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 1.538 -1.543 0.186 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 1.051 11.594 12.400 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 -16.166 -2.005 -8.025 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 5.436 -1.538 0.488 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 -2.645 8.136 0.932 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 6.453 0.192 12.605 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 1.243 2.289 -6.514 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 3.064 4.335 18.421 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 13.840 -3.959 -8.896 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 0.269 -3.128 -2.653 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 18.215 -13.858 -3.723 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 18.486 20.789 -22.974 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 -1.943 -0.644 -3.751 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 5.838 -12.166 16.391 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 -16.534 -8.920 -25.322 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 -1.597 3.517 2.870 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 -39.476 22.510 5.989 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 -19.998 13.309 12.973 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 4.744 -1.599 2.023 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 -8.824 5.185 -7.201 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 2.896 10.815 5.397 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 2.276 -3.092 2.949 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 -10.583 10.786 -11.188 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 -0.111 -3.823 0.025 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 -2.576 2.128 -0.470 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 -8.499 -20.130 -6.170 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 -9.560 -6.482 30.560 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 -2.022 -3.301 0.639 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 -3.576 -3.247 -1.858 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 3.453 -4.470 0.283 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 0.740 -6.662 -0.243 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 -10.869 13.212 26.330 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 31.518 8.396 -7.727 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 -1.060 2.909 -1.778 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 9.850 -8.673 -5.426 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 -27.551 -0.110 7.149 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 4.276 -1.861 7.813 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 -1.072 -7.137 2.504 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 -9.499 -4.642 2.581 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 -6.691 -5.101 -0.755 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 -9.330 -3.823 13.902 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 11.627 -6.332 -0.157 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 -5.824 0.386 -8.297 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 -5.837 5.911 11.770 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 -0.409 13.695 -22.173 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 -2.166 1.129 -4.699 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 11.862 -9.541 2.165 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 2.741 -2.273 -2.085 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 -2.540 -0.622 -0.535 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 6.077 -16.315 7.233 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 -23.851 -4.161 -0.628 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 4.613 0.138 -4.056 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 -0.390 2.225 -4.066 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 14.732 -6.340 -6.621 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 -0.807 -3.381 -0.493 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 14.267 -15.344 0.101 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 -15.744 3.340 12.328 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 -0.999 -4.702 -2.688 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 -33.498 -11.664 -11.259 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 -17.590 -5.803 -8.795 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 -0.032 1.339 -7.357 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 15.103 -10.022 -7.139 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 1.210 13.728 -6.654 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 -1.715 2.742 0.067 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 3.564 4.633 -16.294 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 -4.782 12.158 -6.955 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 -1.767 -1.910 0.148 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 5.930 -17.136 -7.738 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 5.251 -11.504 -6.179 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 3.164 -5.472 7.935 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 6.465 -13.805 3.401 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 2.187 4.113 -8.439 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 1.497 -2.725 -2.433 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 -2.038 -2.842 -0.909 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 3.232 -4.635 -6.974 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 -1.670 4.298 -1.494 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 1.352 -9.875 6.409 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 -13.638 -19.649 18.577 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 -7.407 -4.946 -1.590 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 20.050 -34.940 -4.070 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 17.630 -22.193 0.202 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 -0.688 -5.018 -1.174 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 -12.183 -28.896 -15.921 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 -0.797 -45.179 -5.833 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 1.585 -7.409 5.909 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 9.870 -19.009 -1.945 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 9.836 -27.723 -7.060 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 1.847 5.116 -5.992 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 0.154 7.135 -25.404 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 -9.084 7.562 -16.201 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 -2.247 5.159 -3.611 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 -4.782 10.169 -1.076 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 5.006 -23.887 -17.626 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 0.991 -1.337 -4.030 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 11.452 -4.042 6.192 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 6.113 15.423 2.860 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 10.010 4.495 -0.753 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 7.417 19.992 4.180 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 9.581 -6.734 -10.309 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 0.381 -2.640 -10.352 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 -12.790 14.494 33.318 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 -6.152 -6.565 4.698 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 1.474 -1.364 3.255 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 33.698 0.079 22.190 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 -5.552 -23.328 -7.784 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 0.700 -1.593 3.307 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 -11.886 -3.836 3.144 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 19.747 10.246 21.835 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 3.243 5.642 -2.905 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 -5.398 17.841 -21.666 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 -10.181 -12.781 -1.611 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 -1.264 -3.823 3.188 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 4.047 -19.023 -2.249 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 13.172 5.397 2.743 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 -2.625 -1.803 3.127 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 2.510 -29.108 -2.192 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 -25.520 -1.679 13.675 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 -3.792 2.261 -2.890 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 5.825 20.048 -9.334 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 7.067 -12.935 -14.217 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 0.711 2.628 1.128 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 8.534 6.542 1.200 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 -4.378 12.786 -6.411 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 4.461 -1.299 -5.144 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 -0.196 0.529 -13.878 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 -4.032 6.112 20.995 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 -1.069 -0.205 3.574 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 -8.803 0.690 -6.916 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 6.025 -10.861 1.799 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 -1.086 -1.874 3.142 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 13.437 8.273 0.562 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 0.207 -1.374 3.468 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 0.197 0.922 -4.272 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 2.746 13.751 0.753 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 1.610 -6.666 5.304 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 -6.410 0.031 -6.092 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 -19.560 1.789 -6.461 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 -14.355 2.829 -5.661 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 2.428 -0.060 -4.121 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 -2.578 16.272 5.642 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 7.696 12.186 -14.298 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 -5.301 1.087 6.035 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 -13.455 -3.377 11.726 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 -9.538 -0.400 6.453 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 7.692 1.037 -0.753 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 -17.323 0.891 9.040 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 2.174 -14.358 1.200 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 0.282 -0.196 -0.061 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 -6.636 -21.644 -5.495 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 -3.319 -13.152 -3.289 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 0.769 -4.186 3.626 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 -16.666 -28.753 13.762 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 12.901 -2.233 14.586 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 3.912 0.543 -3.237 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 6.687 6.978 -2.672 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 21.631 -11.160 6.960 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 -1.633 -3.227 3.723 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 23.670 -10.834 -7.459 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 -25.503 -4.754 -1.809 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 3.729 3.953 2.375 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 2.765 -1.085 2.450 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 13.263 -5.643 -4.335 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 -4.417 4.133 -0.951 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 -13.103 6.037 -17.361 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 -6.375 4.804 1.111 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 6.303 0.332 1.130 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 14.332 7.331 -14.875 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 9.468 17.395 -4.550 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 -1.494 4.316 -2.347 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 5.732 4.084 12.268 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 -15.783 17.236 -28.206 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 -1.647 -0.089 0.390 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 -19.606 9.974 1.878 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 12.745 14.939 4.443 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 -4.003 0.988 -2.765 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 -4.619 0.847 6.123 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 -2.955 -7.619 -5.764 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 0.024 2.742 0.385 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 -6.841 17.049 -20.738 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 11.385 -10.600 6.686 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 -0.538 0.792 6.026 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 7.194 12.358 5.474 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 4.645 2.047 15.458 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 1.193 2.181 -0.859 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 -1.029 -3.656 -7.575 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 17.648 -8.798 14.709 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 1.341 -0.838 -1.170 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 5.681 2.071 -1.388 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 30.700 5.436 6.069 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 -5.087 -1.151 -4.765 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 4.785 -0.700 -17.085 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 -7.726 2.770 4.700 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 1.565 0.949 0.254 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 3.838 0.314 -8.907 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 8.142 1.634 -9.545 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 -2.324 2.452 -0.474 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 -2.762 -9.701 -2.094 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 -13.362 5.656 0.098 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 1.767 -0.108 0.860 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 -0.169 -3.539 -9.458 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 -4.068 -13.213 -10.431 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 -3.354 -3.107 1.235 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 5.405 -5.567 24.766 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 17.829 -16.101 -14.086 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 6.962 -0.695 4.573 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 -13.272 14.206 -9.740 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 -13.838 -30.940 -7.010 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 2.301 3.187 1.919 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 0.551 7.343 6.112 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 2.005 2.392 -0.641 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 2.792 -0.081 5.338 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 13.309 27.685 -5.066 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 1.169 -18.293 27.863 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 1.294 0.692 4.295 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 1.309 4.380 5.034 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 -0.214 -4.189 3.373 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 -0.721 -6.082 -6.908 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 2.034 -9.452 -13.546 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 6.564 -2.772 -8.678 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 -0.119 -2.033 2.007 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 -7.757 14.484 23.933 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 -21.594 39.534 -7.521 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 6.380 -0.144 1.295 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 12.584 2.796 -0.604 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 -0.745 0.353 2.305 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 3.899 -2.244 -4.162 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 -11.916 -10.202 6.644 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 13.162 10.594 8.787 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 5.823 -0.032 6.134 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 18.843 0.974 6.590 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 -6.319 0.699 6.854 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 -1.194 6.674 0.652 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 -0.729 5.790 -1.041 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 -10.680 7.285 -0.915 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 -0.504 -4.844 -0.924 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 -12.571 -2.349 11.867 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 -19.571 -0.095 14.136 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 0.209 0.445 0.890 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 0.107 1.451 -2.078 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 -9.517 -8.807 -8.571 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 1.150 4.840 5.205 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 -9.115 4.674 23.985 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 -31.148 7.634 -4.081 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 -3.487 -4.390 -4.341 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 -3.828 -3.376 -5.497 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 -2.553 -1.917 -6.138 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 -1.729 2.088 6.331 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 -10.324 -6.542 -1.394 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 -5.503 0.200 4.903 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 -4.050 -1.568 -5.901 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 -3.597 -10.462 2.312 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 10.234 9.583 -16.637 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 5.855 -0.232 -1.363 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 5.183 20.459 -0.092 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 6.766 -6.859 10.780 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 5.213 -3.832 -4.024 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 2.474 0.275 4.221 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 6.263 -3.869 -7.372 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 4.650 -1.923 1.925 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 -20.871 -3.809 -2.417 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 2.813 0.761 0.113 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 1.673 -3.933 -6.566 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 2.499 16.602 -15.363 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 1.882 8.697 -11.696 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 -1.568 0.393 0.620 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 -12.487 2.786 -15.955 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 1.320 -14.077 -15.534 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 -2.345 -2.111 -11.945 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 -11.488 0.722 -16.759 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 21.414 -18.926 -9.021 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 -2.217 3.628 7.885 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 2.647 11.229 5.938 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 1.354 9.172 -2.556 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 0.342 -5.525 1.119 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 3.821 9.786 7.916 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 9.862 17.252 -5.758 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 -3.422 -3.796 4.782 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 13.190 9.374 4.024 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 -18.161 7.605 15.095 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 -6.703 -3.360 0.223 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 -13.168 21.376 -17.849 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 -1.260 -24.426 15.710 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 0.525 -0.400 2.076 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 9.576 0.025 -3.049 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 4.858 -5.573 3.287 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 1.221 -0.110 1.078 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 9.618 5.664 4.317 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 -11.379 3.198 -14.957 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 1.995 0.133 -1.397 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 13.289 53.643 17.683 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 -1.429 -19.345 -19.670 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 4.107 -1.023 -7.272 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 4.148 10.642 -8.133 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 15.047 0.423 -12.666 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 0.372 0.655 1.231 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 11.005 11.565 -7.458 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 -19.026 13.693 15.585 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 -3.094 -2.410 -4.002 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 0.460 0.205 3.899 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 -5.881 -3.163 -19.233 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 0.110 -0.733 -1.482 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 -9.345 0.071 -6.334 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 -3.208 9.683 -7.067 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 3.134 -2.845 7.361 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 -0.964 14.242 6.439 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 2.161 -3.666 2.620 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 -1.079 5.445 -3.242 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 -7.120 3.262 8.791 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 1.851 6.155 -7.551 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 5.341 -1.085 -4.948 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 -11.073 -8.383 29.444 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 12.779 9.848 -10.120 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 -1.097 6.964 -0.960 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 1.815 3.729 8.648 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 -9.107 6.088 7.293 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 -3.585 2.497 2.221 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 5.829 -2.620 -10.811 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 -7.860 -2.754 3.417 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 -2.840 1.089 4.274 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 11.816 -3.992 0.243 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 -1.033 -0.105 3.197 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 -2.497 0.675 -5.333 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 13.962 11.471 -9.605 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 16.253 0.649 -8.490 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 6.107 -3.971 2.359 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 2.368 -8.110 13.954 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 29.441 -15.656 -28.479 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 4.372 -1.131 2.921 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 14.251 5.143 -3.105 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 11.861 20.533 -5.155 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 1.386 1.845 -1.564 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 4.349 -15.400 -10.776 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 -11.460 13.135 -1.462 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 0.525 1.545 -2.444 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 -2.637 -10.224 -1.594 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 9.050 13.838 11.347 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 2.506 -4.191 0.945 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 1.963 -3.480 -4.637 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 -1.101 -7.087 -4.983 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 -3.272 -6.452 4.512 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 10.747 11.012 -4.101 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 -5.490 0.794 18.476 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 -1.228 0.293 -1.684 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 -0.251 -1.459 -8.169 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 -1.287 3.389 -10.361 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 -0.504 12.112 1.078 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 0.126 -18.023 -2.903 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 -3.274 -16.241 0.158 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 4.194 -1.681 -4.726 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 6.763 -0.647 -8.924 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 3.394 -6.522 -15.943 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 10.663 -4.166 0.146 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 31.075 -4.247 -21.838 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 18.629 1.750 -23.344 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 -7.304 -2.489 -0.561 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 -7.460 18.771 25.529 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 14.898 -25.965 8.774 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 3.758 1.267 0.428 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 -12.177 33.001 -0.306 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 2.433 -7.203 -0.511 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 -8.480 3.627 2.979 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 0.409 5.029 4.490 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 6.782 19.571 -29.081 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 2.676 4.640 -2.620 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 -8.961 -2.300 -5.747 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 -2.300 29.141 0.146 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 0.178 -6.559 -5.811 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 0.608 -3.677 -3.114 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 -12.255 13.851 -26.949 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 5.442 -1.956 -5.355 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 5.304 8.982 -6.050 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 -12.729 -2.297 -4.188 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 6.875 -6.038 -6.979 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 -0.268 -1.444 -10.073 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 -20.419 11.713 -11.124 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 -7.638 2.143 -2.608 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 -4.140 13.457 2.483 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 0.799 3.847 14.455 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 7.840 2.319 0.780 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 11.314 -12.963 31.765 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 -12.238 24.944 12.076 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 3.152 4.391 0.285 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 9.997 -27.369 -6.230 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 -8.415 -0.212 -3.663 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 -3.395 -4.023 -5.057 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 0.184 -0.481 -12.471 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 -8.090 -8.285 4.146 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 -2.787 -0.012 2.042 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 6.982 -15.583 -0.651 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 -4.389 35.356 10.465 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 -3.399 -6.423 -1.108 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 -0.388 -5.212 4.287 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 -1.980 -11.814 -2.233 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 -7.572 -5.973 1.493 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 -15.593 -15.076 8.121 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 2.988 4.335 -1.968 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 0.459 2.016 -2.525 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 18.173 6.297 6.290 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 -6.984 -37.919 9.744 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 -4.037 7.555 -0.016 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 -1.508 7.552 -1.714 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 -5.306 4.505 0.274 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 0.022 -3.250 7.288 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 -14.127 -3.073 -6.460 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 4.968 -1.196 -10.667 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 -0.501 -0.856 -2.125 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 -1.192 -2.285 -0.298 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 -6.979 -8.538 -1.954 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 3.415 0.061 -2.759 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 10.152 -0.749 2.644 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 -0.524 4.639 -6.694 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 -2.057 -2.923 -5.604 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 -4.382 -0.359 -5.151 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 -11.653 7.661 -5.133 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 3.302 0.824 -2.221 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 1.424 -5.668 -7.856 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 14.912 0.169 5.688 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 1.499 -0.307 -10.678 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 -15.234 -4.306 7.158 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 -11.156 -3.472 3.652 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 3.981 0.587 10.263 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 32.684 -0.201 -2.696 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 6.357 4.021 5.917 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 11.079 5.296 -4.523 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 0.853 0.209 11.472 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 18.424 -16.988 19.185 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 -3.657 -4.581 10.842 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 -1.652 -14.197 -10.413 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 -25.048 3.633 11.696 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 -1.447 1.450 -6.155 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 -14.604 0.525 19.066 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 -15.277 -14.763 -5.875 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 0.849 1.813 -0.881 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 -14.348 -25.385 -9.067 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 10.517 -16.829 7.998 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 -5.555 6.711 -7.059 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 -3.579 5.420 -5.571 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 17.876 -15.822 -12.612 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 -0.003 -2.736 -7.765 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 -7.207 1.629 1.682 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 10.972 6.999 8.554 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 2.472 -8.050 0.072 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 3.583 -17.270 1.741 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 8.177 -5.871 -4.985 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 -0.164 -1.950 2.584 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 1.176 -2.905 1.830 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 16.784 1.723 -11.376 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 -6.654 -7.423 -3.085 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 -5.590 -8.819 1.472 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 -27.328 -0.138 3.363 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 1.771 -4.064 0.221 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 0.545 -6.953 -7.804 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 -1.032 3.066 -4.116 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 0.193 0.002 4.946 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 -1.456 17.653 -31.990 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 6.959 11.686 2.151 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 0.249 -3.992 -7.210 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 -3.012 -20.776 -0.125 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 0.422 -16.965 -10.383 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 -1.370 1.592 -8.898 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 1.543 -4.129 14.638 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 -4.012 -1.842 -17.512 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 4.952 0.208 -6.121 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 13.429 -1.071 0.684 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 5.283 6.849 -9.889 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 0.333 -1.796 4.939 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 -14.066 -4.745 -2.118 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 -4.347 -16.722 18.514 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 1.846 -3.137 3.991 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 2.912 4.360 3.854 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 -8.597 2.804 9.495 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 -0.838 -2.397 1.372 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 -1.135 -8.821 4.696 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 -2.367 -0.147 1.358 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 -2.755 -4.450 -1.030 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 14.843 -10.940 16.837 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 18.572 -12.562 -1.641 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 -1.209 2.571 -1.272 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 -8.302 6.910 -19.244 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 4.758 3.764 30.161 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 -1.219 -1.100 -3.301 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 0.257 0.058 -1.207 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 -4.260 11.019 -1.467 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 3.025 1.252 3.101 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 6.907 1.042 -8.407 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 -6.234 2.195 13.496 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 -3.205 -0.283 -7.082 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 10.992 -33.536 1.541 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 -4.832 7.537 -11.340 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 -4.176 -1.324 1.829 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 -13.766 -28.487 12.400 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 -0.448 7.803 -7.168 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 1.567 -5.599 2.607 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 4.467 -8.224 -26.813 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 6.086 29.248 4.667 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 -2.527 7.925 3.592 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 0.030 4.732 27.408 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 2.842 -0.385 9.127 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 -2.916 0.854 3.270 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 -4.804 10.041 10.364 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 0.724 -21.841 -3.549 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 -0.290 3.157 -4.289 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 9.202 9.027 -6.758 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 8.687 6.720 9.198 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 -3.090 2.527 5.414 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 10.587 17.009 3.087 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 -2.067 -5.819 8.940 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 -0.501 1.570 -4.454 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 0.939 0.324 8.839 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 0.197 23.695 7.335 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 -1.588 -3.068 1.052 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 -0.705 4.041 3.812 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 1.839 -9.415 3.842 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 -0.439 6.059 -4.064 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 10.475 -0.164 14.270 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 -2.426 4.279 0.944 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 -4.694 2.597 -1.795 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 0.960 -1.893 -1.987 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 -8.587 1.459 3.469 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 -2.821 -3.236 -0.309 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 -12.526 -2.730 -14.427 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 -21.426 -28.238 -4.889 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 0.125 -2.545 -1.521 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 10.920 -4.396 -5.459 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 -11.327 -9.922 -14.467 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 0.250 3.022 -1.131 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 2.786 -0.195 -0.862 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 7.266 -2.776 -0.009 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 -3.373 6.906 3.060 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 -2.851 -9.589 8.409 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 8.949 7.546 -6.908 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 -4.241 4.761 3.843 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 -0.930 -2.036 -16.568 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 3.229 -10.730 16.267 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 -8.106 -0.524 4.259 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 -22.109 9.415 19.494 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 15.791 11.952 10.479 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 7.023 1.203 -3.076 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 -6.570 21.563 3.980 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 4.499 -5.548 7.675 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 1.691 -1.172 5.927 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 0.166 -0.804 1.574 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 4.697 2.476 5.569 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 -0.136 0.628 2.325 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 -11.137 14.097 25.972 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 2.377 -10.136 -7.275 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 -0.777 2.569 5.610 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 6.650 5.963 -1.144 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 -8.994 -10.270 28.218 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 0.674 7.031 -2.550 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 -3.763 18.851 6.300 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 12.779 10.409 -2.134 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 1.446 5.185 -2.752 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 3.079 12.620 25.124 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 3.784 11.403 -24.549 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 -1.280 2.864 -5.387 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 8.742 8.332 -19.697 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 -13.364 -6.045 -9.618 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 1.452 5.429 4.487 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 -6.525 1.400 -9.965 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 4.246 -9.736 -3.130 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 -2.360 0.825 -0.824 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 1.124 17.065 -6.681 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 1.170 45.436 20.241 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 7.393 3.977 0.205 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 -1.096 -15.437 -14.189 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 15.962 7.038 -14.699 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 4.772 4.652 -1.812 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 -8.286 0.511 -4.718 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 -3.106 5.169 0.986 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 -0.543 -6.383 2.584 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 -11.472 -12.075 -10.350 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 9.633 2.718 -9.414 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 3.015 -1.706 3.253 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 -12.717 -8.278 3.592 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 18.456 3.320 -0.938 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 6.358 2.204 -1.838 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 -10.586 12.352 8.708 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 -0.542 -5.807 -16.091 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 4.000 4.635 6.552 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 -7.053 5.023 2.037 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 -22.279 27.611 11.074 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 -6.364 1.536 1.878 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 -5.038 -13.170 29.823 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 -2.958 -15.984 -11.927 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 2.835 1.764 6.863 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 -5.084 -11.770 24.338 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 -19.487 7.935 5.099 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 -2.144 1.330 1.141 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 3.302 8.335 5.826 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 -11.628 12.590 16.164 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 -5.407 1.770 -3.606 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 -3.115 1.387 -0.693 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 -2.504 2.186 -5.718 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 4.240 -5.701 0.271 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 -20.622 6.659 -8.651 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 -5.965 -34.183 -6.901 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 -5.149 3.896 -4.107 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 2.183 -1.786 -0.834 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 -2.439 -4.642 -4.792 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 -5.996 -0.697 8.993 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 15.462 -16.746 5.516 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 -14.825 -6.995 5.656 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 -0.732 -3.326 2.018 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 -11.096 0.280 1.068 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 -16.510 -6.350 -13.189 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 0.348 3.160 -1.396 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 -1.746 13.709 1.936 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 -5.023 -0.728 8.071 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 5.543 -0.289 1.467 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 27.429 15.626 -11.873 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 7.080 -16.957 -16.262 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 -1.905 -3.646 1.801 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 4.675 -6.565 12.571 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 -9.014 -8.974 0.286 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 -7.256 0.007 3.164 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 -12.693 6.560 11.643 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 -11.132 5.114 12.761 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 6.744 1.173 5.595 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 -6.389 -15.132 13.037 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 8.304 1.406 23.755 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 0.920 -0.583 -1.263 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 -6.436 -4.788 -1.046 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 0.722 2.859 1.466 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 -1.820 -5.373 -2.483 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 11.030 -13.926 -3.466 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 0.179 -3.880 -11.267 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 -2.811 1.346 1.351 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 6.976 6.516 22.796 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 -10.232 -2.361 -16.102 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 -4.049 1.371 5.224 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 10.607 9.362 -14.044 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 3.179 -2.205 -7.968 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 -1.346 2.376 3.074 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 9.863 8.066 -5.425 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 -6.857 4.556 7.729 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 5.880 -2.872 -5.542 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 -7.689 -10.166 -5.391 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 -0.472 10.322 12.402 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 4.896 -0.858 -4.848 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 12.123 -4.638 5.063 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 11.265 -11.622 7.714 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 6.119 -0.339 4.085 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 20.801 -0.806 -0.733 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 -10.461 -2.225 7.848 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 -1.221 -1.950 -4.408 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 -11.920 -7.303 -6.343 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 -9.844 4.741 21.538 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 1.956 -2.694 2.848 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 -16.981 -5.084 0.197 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 3.354 -17.246 12.597 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 -9.555 7.659 -1.660 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 1.226 -6.740 -2.360 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 -6.529 16.541 -17.335 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 -2.535 3.052 8.638 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 -5.691 -10.380 -11.219 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 -8.325 3.983 1.365 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 0.758 -0.954 0.458 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 -6.626 -8.066 -5.578 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 9.721 -4.453 5.777 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 1.432 -3.043 0.725 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 -3.564 2.170 3.184 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 1.903 4.073 4.462 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 -1.955 -1.019 1.502 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 10.701 3.984 -0.824 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 -0.482 8.252 15.064 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 3.442 -8.737 -1.421 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 -1.518 -23.696 -6.029 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 7.738 -1.394 -9.100 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 -1.867 -3.362 -0.958 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 -51.371 17.553 -18.014 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 -18.987 1.365 15.737 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 4.271 1.160 -0.070 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 2.244 23.033 -5.996 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 4.327 1.159 10.582 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 -1.479 1.087 -2.198 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 8.522 3.089 -11.100 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 -14.082 -5.162 -6.826 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 -0.952 1.917 -3.989 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 -28.751 41.935 -0.117 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 27.862 -4.542 -46.599 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 8.402 -9.746 0.063 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 -0.084 -13.384 -19.012 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 0.567 -4.075 27.690 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 -0.359 -0.096 -3.817 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 -3.547 -4.217 5.133 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 8.020 7.580 -13.161 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 -1.427 4.846 2.918 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 5.146 5.353 15.090 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 -8.398 4.637 -1.379 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 4.574 0.064 -0.617 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 16.052 -3.536 -2.219 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 14.147 -13.415 6.643 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 -1.168 -0.522 0.558 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 1.459 5.352 10.373 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 1.584 -25.128 -12.098 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 2.930 3.216 -0.051 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 0.687 11.604 -11.665 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 3.025 -3.095 -7.374 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 -0.563 0.270 -1.850 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 -7.109 -0.841 20.047 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 5.496 16.073 -5.178 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 0.800 -1.213 9.491 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 5.864 7.380 9.449 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 32.472 0.280 -8.810 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 -6.367 -0.004 -1.266 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 -24.390 4.859 -0.500 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 10.655 0.752 3.065 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 0.328 -6.472 -4.125 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 0.046 -7.422 -17.101 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 2.599 -12.449 12.253 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 -8.480 1.822 -2.775 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 -3.048 10.397 7.825 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 -18.213 9.905 -9.909 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 4.998 -0.358 4.252 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 -4.553 -1.880 21.518 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 -3.006 -6.507 -6.639 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 6.167 3.074 -2.390 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 17.270 13.543 31.305 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 8.264 2.920 2.359 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 10.297 5.380 1.916 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 -2.761 -19.067 4.135 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 1.858 -11.310 20.090 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 -0.346 9.028 -0.118 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 -12.825 32.306 -0.431 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 4.781 0.028 2.575 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 7.256 5.443 2.369 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 15.307 6.211 -9.311 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 -10.655 9.430 -34.418 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 -5.041 -0.887 4.632 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 -19.830 -30.347 -0.776 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 -21.067 -3.314 9.021 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 -2.206 -4.484 2.346 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 -17.610 -27.132 8.664 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 -7.592 6.809 -2.843 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 2.220 -1.733 -1.719 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 6.321 0.523 -14.436 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 -7.575 -10.877 -11.637 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 -1.697 -4.023 2.792 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 -4.973 -5.651 12.208 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 -6.201 -7.595 7.284 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 4.030 -1.641 4.433 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 -1.326 14.093 12.979 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 -3.177 15.439 23.669 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 3.687 1.632 0.761 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 0.533 -9.438 23.852 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 -5.392 25.756 2.535 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 -1.254 1.880 2.908 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 7.326 8.658 -9.164 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 3.934 7.227 -5.276 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 -0.679 -1.590 -0.155 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 -2.044 -5.913 0.452 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 -3.237 -4.864 -10.928 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 -2.525 4.273 2.335 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 -7.066 11.824 0.822 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 -11.386 8.387 4.727 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 1.182 -1.395 -1.464 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 14.695 1.526 -9.026 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 -2.458 -14.694 -6.975 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 -0.846 1.842 -0.373 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 9.173 -25.930 -1.922 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 16.434 7.374 -1.758 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 4.681 -2.062 -6.202 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 -2.625 -0.607 -6.150 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 -18.062 3.868 -5.379 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 -3.899 0.819 0.493 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 3.606 -7.262 -7.642 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 -9.018 7.196 7.429 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 -1.077 0.573 2.054 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 6.562 0.906 0.143 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 -2.037 28.642 1.889 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 3.400 4.197 -0.432 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 6.056 8.466 4.496 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 -4.495 -8.068 -14.906 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 2.248 -0.829 -0.056 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 -2.376 22.893 -2.288 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 14.001 -2.218 17.886 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 -4.229 -5.384 -0.674 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 -10.821 -8.701 -6.482 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 5.281 0.002 1.260 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 0.565 -5.451 -2.467 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 17.288 9.844 9.324 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 5.984 21.758 16.702 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 6.077 3.811 4.637 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 21.464 -11.280 4.687 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 4.944 -10.850 17.170 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 -1.626 -1.892 1.928 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 -4.377 1.605 -1.299 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 -5.939 -5.790 0.709 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 1.442 -0.576 -0.529 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 2.192 1.846 -2.130 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 0.623 -0.703 11.357 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 -1.933 -4.709 1.296 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 -5.287 5.164 14.366 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 -19.367 -7.181 -0.162 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 -1.803 -5.595 -1.802 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 8.106 9.230 -14.781 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 18.268 23.509 -18.106 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 0.641 4.314 -2.769 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 -0.752 8.052 -0.314 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 -3.346 2.975 -5.354 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 3.198 -3.207 4.700 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 1.073 -2.614 5.770 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 4.584 -1.730 3.327 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 -0.325 -1.274 1.615 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 3.669 -7.213 8.219 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 5.301 19.411 -6.280 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 1.891 1.555 1.371 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 7.482 -2.091 2.871 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 13.404 2.421 0.087 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 -3.301 0.234 0.745 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 8.680 0.331 1.516 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 2.392 1.829 -3.871 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 0.759 -4.363 -0.546 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 7.459 -21.863 -3.016 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 10.781 5.197 15.088 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 -4.890 -3.171 3.218 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 -13.871 -1.348 8.816 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 0.896 -1.750 -0.271 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 -5.109 4.649 -8.373 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 -18.018 14.553 -12.008 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 5.564 -8.015 4.761 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 -4.461 -1.585 2.499 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 -11.299 7.607 10.231 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 -16.062 13.097 16.492 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 8.642 7.868 -3.441 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 8.015 -1.979 -11.913 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 1.825 11.772 -7.607 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 4.743 -4.735 2.548 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 -9.426 5.677 6.345 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 7.177 -9.312 -1.530 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 1.914 -5.644 2.776 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 11.760 -13.500 5.583 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 5.522 -2.359 -3.000 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 0.250 -1.040 1.426 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 -7.883 1.508 -3.492 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 -11.470 2.969 -2.936 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 -1.812 0.918 3.546 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 -2.635 -5.548 -0.013 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 1.635 12.229 -0.546 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 2.604 -1.127 1.740 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 -0.787 12.839 -7.597 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 -2.012 -19.432 34.140 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 -0.200 2.768 -2.043 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 -6.659 19.253 -26.214 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 12.591 -12.926 -0.892 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 -6.783 -1.895 6.720 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 21.256 -9.597 12.602 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 -16.201 1.883 4.813 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 -1.123 -0.480 3.484 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 4.687 25.025 11.876 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 -4.764 -13.794 -1.111 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 0.967 -5.493 -1.309 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 0.298 2.943 -31.287 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 12.701 -0.702 -9.404 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 -1.217 4.884 -3.347 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 -15.070 0.144 10.757 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 3.455 14.744 -23.003 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 -2.588 -8.075 6.450 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 3.104 -20.903 -11.716 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 12.169 1.354 -9.484 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 1.027 -0.086 -2.502 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 -11.504 5.582 -27.378 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 11.093 -27.613 -7.987 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 -3.641 4.316 -1.845 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 -3.140 15.985 -16.449 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 -7.425 -1.091 7.662 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 -1.490 3.136 2.231 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 17.531 8.506 4.324 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 -10.594 24.022 9.604 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 0.620 0.513 0.906 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 22.037 -15.154 9.840 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 0.491 -0.001 0.016 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 3.148 1.190 -1.593 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 20.344 14.448 -8.519 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 29.845 -8.243 -3.958 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 2.355 2.009 7.853 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 3.072 4.113 10.402 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 17.176 -10.089 -5.701 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 0.454 -3.725 3.924 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 9.189 18.233 32.136 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 11.777 -28.150 -0.612 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 1.247 -3.123 -7.975 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 -18.084 -10.768 -0.601 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 -21.961 20.538 3.610 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 -1.698 5.366 -0.788 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 11.218 -5.147 -6.775 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 9.937 18.791 -5.237 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 5.971 0.731 1.203 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 3.142 -2.836 0.061 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 5.966 3.083 8.217 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 3.285 -5.715 -0.444 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 -6.736 7.741 8.795 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 4.465 -14.333 -2.461 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 -0.108 1.892 1.818 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 -2.247 3.000 5.095 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 6.818 -14.024 3.908 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 -0.069 1.793 1.087 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 -21.269 -1.492 14.629 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 9.552 -12.762 -11.540 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 -10.938 -5.416 2.734 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 -4.342 -8.225 4.338 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 -6.654 0.150 -1.642 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 2.258 -3.201 4.432 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 16.185 -10.211 25.732 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 -22.608 1.832 13.167 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 -5.669 4.282 -1.519 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 -6.130 12.498 -10.823 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 9.266 -0.156 10.522 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 1.357 6.842 -1.164 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 3.433 22.714 5.203 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 2.635 -6.451 -4.621 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 -2.482 -3.518 -2.177 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 28.186 1.930 10.539 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 17.820 18.177 23.998 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 6.490 5.334 0.768 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 15.625 3.852 3.912 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 14.198 -7.242 8.297 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 -6.980 2.326 7.505 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 16.342 -5.311 7.305 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 -7.862 19.252 -11.417 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 1.531 3.935 -1.450 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 -10.036 9.663 4.873 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 3.892 4.379 10.978 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 -0.155 -3.095 -6.225 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 0.186 9.937 0.802 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 2.467 2.870 -9.030 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 2.136 1.479 -0.808 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 -12.953 -1.639 -0.271 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 14.106 4.598 -0.563 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 0.026 7.926 -3.144 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 -4.901 6.438 -6.185 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 -23.607 -1.881 2.914 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 1.780 -6.738 -2.890 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 1.477 -5.593 -7.131 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 -3.625 -3.066 -2.676 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 -1.044 -9.266 1.505 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 -7.799 1.412 1.894 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 6.615 -10.890 9.347 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 -0.383 2.650 4.389 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 -2.025 -5.790 -13.365 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 15.773 3.838 -11.186 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 -3.206 -3.610 3.813 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 -2.346 -7.620 2.353 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 -1.676 -14.091 9.255 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 -0.203 5.256 6.424 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 -15.995 9.397 0.254 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 -0.015 12.034 21.513 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 1.393 1.522 -0.322 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 13.760 5.019 4.954 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 -7.337 8.863 4.746 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 1.929 0.032 -0.763 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 1.234 -17.138 10.768 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 -10.161 12.241 3.570 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 -0.691 -0.257 1.116 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 1.107 -5.100 -1.822 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 -27.699 -19.881 -0.863 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 -2.043 -2.747 -0.240 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 9.961 8.758 8.188 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 -1.323 -11.706 -3.607 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 9.693 -0.478 2.573 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 6.180 -5.947 7.140 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 2.977 2.736 2.121 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 0.319 -0.026 -2.902 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 13.790 3.960 1.875 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 -0.574 -3.369 -1.893 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 2.723 6.188 0.189 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 2.432 7.997 -3.893 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 16.345 10.882 31.644 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 -0.820 -1.827 -0.256 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 8.557 -3.089 -6.809 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 -10.168 0.860 8.300 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 0.998 0.710 7.030 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 0.142 -5.641 -6.072 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 11.171 -14.209 18.613 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 3.185 -4.391 -1.821 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 -0.103 -7.797 -15.015 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 2.303 -2.262 0.461 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 2.675 11.322 6.512 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 4.299 5.109 -3.057 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 -8.133 14.694 17.454 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 5.771 -3.037 0.190 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 6.821 -8.275 1.836 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 6.404 8.507 -1.008 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 -5.536 -5.158 -6.690 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 6.119 -18.814 7.805 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 0.198 15.597 -5.885 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 -1.978 0.099 -4.486 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 -0.354 -2.953 0.453 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 -6.236 -6.011 -3.329 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 -4.591 0.539 1.759 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 5.008 -9.402 -13.716 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 -12.657 8.229 16.305 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 4.462 6.092 2.024 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 -10.626 11.951 -15.690 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 20.664 -6.482 -6.283 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 3.783 -3.575 -1.073 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 2.266 -6.127 -1.670 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 3.445 -2.934 -0.346 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 -0.959 4.924 -3.791 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 -0.613 3.602 -4.903 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 -4.360 13.915 0.166 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 4.122 5.291 -4.676 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 -18.373 1.469 -27.879 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 -2.336 -10.053 -7.525 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 3.138 6.773 5.717 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 -12.642 16.342 17.394 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 -6.987 -6.238 -6.945 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 4.666 2.581 3.756 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 -15.594 3.575 5.312 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 -24.005 -13.909 -7.679 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 5.902 0.012 0.326 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 16.179 2.315 1.726 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 -16.273 -2.719 -2.674 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 -1.582 5.171 2.537 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 4.694 -2.955 0.779 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 21.738 2.746 -14.785 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 -3.112 2.702 8.545 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 3.384 7.826 7.222 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 12.050 12.975 6.450 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 3.244 5.237 10.131 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 0.182 1.250 5.169 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 -3.488 1.306 4.004 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 -2.353 1.619 4.283 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 -9.807 -9.596 -8.036 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 -3.159 -13.983 5.632 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 -4.493 4.569 0.959 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 5.523 7.231 12.782 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 -9.078 -1.839 27.356 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 -2.597 0.957 -2.331 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 -9.303 23.694 7.140 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 19.300 -2.750 0.376 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 -1.958 4.563 -1.807 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 -0.374 -5.497 10.594 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 5.064 -3.944 7.305 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 -1.856 -4.834 -3.057 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 -3.075 7.379 5.918 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 16.376 -1.804 -9.481 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 2.158 -0.048 -2.878 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 15.034 -9.817 2.402 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 -6.102 4.620 9.792 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 1.589 3.831 -6.971 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 6.091 10.544 -3.851 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 -17.492 0.825 -14.114 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 2.173 -0.074 3.153 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 16.158 -11.900 -15.515 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 29.550 -15.339 3.742 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 4.350 -0.322 -5.450 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 2.395 4.511 3.147 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 -15.381 20.237 -8.883 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 2.493 -1.797 5.404 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 -9.646 -5.320 -1.680 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 2.815 -2.146 5.212 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 2.322 0.477 -3.141 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 7.807 -5.346 7.513 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 1.068 -11.525 -8.048 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 8.527 -0.115 -1.944 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 -1.031 9.261 -4.076 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 -0.852 -24.762 -19.193 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 -3.594 -0.062 -4.116 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 4.510 4.868 -5.927 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 -6.501 -4.997 -11.048 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 -4.065 2.084 -4.222 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 5.965 -10.017 -11.738 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 -7.713 10.949 -2.340 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 -3.977 -3.148 5.113 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 -1.985 0.778 9.210 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 -10.215 -14.863 -0.713 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 3.416 -0.503 2.609 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 0.242 4.513 24.036 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 -13.481 5.883 -6.363 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 0.479 -12.358 8.251 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 0.335 7.585 16.384 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 -8.989 -11.594 19.459 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 3.517 4.110 4.327 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 8.466 21.735 2.096 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 -22.575 -7.168 -1.756 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 4.617 0.353 3.246 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 12.575 21.515 8.236 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 3.993 -4.412 0.336 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 -8.101 3.155 2.369 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 -1.678 -2.211 27.412 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 -6.169 -31.649 7.493 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 -2.818 -4.800 -0.964 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 0.600 27.702 15.528 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 -11.897 -15.572 -2.848 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 2.648 3.619 -0.603 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 -2.747 -0.357 -3.607 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 15.369 12.054 4.734 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 3.858 1.001 -3.944 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 -2.341 3.149 31.841 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 6.333 3.495 -1.388 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 -3.588 2.028 0.403 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 -12.491 -14.143 -5.577 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 -6.811 -7.088 -9.611 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 0.893 5.865 2.118 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 7.688 0.733 6.534 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 -16.378 9.896 0.479 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 -1.403 -2.875 7.098 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 -12.650 2.814 5.524 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 5.652 2.670 -0.594 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 -5.539 0.540 0.298 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 -2.978 7.919 0.805 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 -6.631 10.948 -15.854 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 4.954 -2.134 1.458 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 14.212 -18.156 -0.254 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 2.809 1.446 8.881 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 -1.375 -3.239 -3.771 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 -3.064 -12.375 -8.524 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 12.417 2.744 2.267 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 1.269 3.648 0.039 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 13.413 -12.193 2.216 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 10.765 1.884 -12.155 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 4.551 -2.616 0.858 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 13.941 -2.055 -2.162 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 24.100 19.013 -15.061 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 -4.385 1.117 5.924 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 8.225 -3.284 9.339 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 -17.045 -4.977 -24.770 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 0.204 -4.427 -6.640 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 6.437 4.224 -8.945 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 -9.625 -15.980 -4.300 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 0.524 2.317 2.175 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 -2.583 13.478 20.579 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 8.533 -5.209 2.820 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 -1.760 -1.070 -5.754 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 -23.144 -16.662 -9.966 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 8.143 3.414 -14.363 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 1.721 4.884 5.858 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 2.649 8.223 3.274 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 1.852 4.765 8.385 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 4.784 3.206 -1.251 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 -28.226 -2.813 11.664 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 9.867 11.450 16.237 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 5.404 -2.947 6.989 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 14.307 -1.234 7.602 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 -8.539 -3.748 -5.110 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 2.978 -3.264 4.039 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 8.916 -19.428 11.539 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 -3.830 6.236 8.355 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 -3.273 -0.291 1.430 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 5.953 5.057 2.576 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 -1.199 -5.312 -7.018 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 -1.886 0.923 -2.038 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 8.914 -7.674 10.327 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 -14.394 0.386 3.605 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 -1.194 -0.436 5.301 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 -2.130 5.106 15.308 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 -19.225 -17.587 -3.290 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 2.552 0.407 -1.801 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 2.722 -2.521 6.456 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 0.364 3.615 -1.831 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 -2.302 2.061 1.075 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 13.700 12.379 5.039 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 -13.151 -10.296 -8.286 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 1.018 -2.331 -2.027 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 3.304 -0.748 6.068 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 -8.400 0.910 1.426 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 -2.609 7.408 0.433 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 -5.357 -2.158 7.070 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 -3.430 5.681 3.991 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 -7.309 0.133 0.382 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 -2.906 -13.118 -9.694 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 5.178 16.708 5.480 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 -6.127 2.760 5.814 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 -5.318 -5.665 -28.061 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 -5.707 7.510 33.332 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 1.843 1.102 -0.922 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 -0.866 -10.527 17.827 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 -12.899 -28.500 6.218 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 8.709 0.475 1.785 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 25.916 22.137 -1.103 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 7.026 -10.068 -16.925 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 -0.099 -2.987 0.450 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 8.337 -15.042 -4.409 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 -15.211 -5.436 -2.007 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 -2.883 -0.917 6.269 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 8.434 -11.339 4.387 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 17.818 -5.376 4.330 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 3.173 4.908 1.550 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 -11.959 0.577 -4.027 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 16.076 -6.418 -4.468 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 -0.568 5.142 -0.203 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 13.529 0.784 -2.645 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 -6.815 5.023 13.607 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 -3.523 0.938 1.889 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 4.070 8.165 1.296 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 -16.597 13.611 -20.699 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 -2.261 3.104 -6.054 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 1.222 10.093 -10.559 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 8.163 7.041 -3.591 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 -1.975 -5.939 3.081 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 6.577 4.043 -13.406 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 14.601 14.644 -29.952 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 2.779 -2.974 3.758 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 1.361 -15.832 10.952 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 7.592 -2.143 -6.501 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 0.174 1.543 -7.317 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 2.545 1.302 -42.935 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 2.844 14.098 -1.233 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 -0.469 -4.087 4.917 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 -8.331 20.927 5.031 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 16.245 -9.546 14.543 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 -3.457 5.765 -5.463 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 -11.441 -4.108 -25.028 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 13.208 6.169 -11.444 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 7.534 1.463 5.495 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 -4.427 -10.334 12.934 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 20.066 4.023 23.707 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 -6.682 -0.225 0.307 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 -4.179 29.620 10.904 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 20.845 -0.369 -12.136 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 -0.639 2.964 5.536 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 6.161 4.143 3.970 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 -1.191 17.099 3.706 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 -0.169 3.004 0.013 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 7.208 3.550 -23.437 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 -0.981 27.116 7.566 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 -1.852 -7.628 2.450 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 1.526 -1.065 7.267 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 -11.639 -11.276 -12.410 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 -3.356 1.480 0.277 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 -3.795 1.313 14.216 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 48.899 -0.898 -20.733 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 -1.377 3.082 2.543 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 -21.856 8.993 44.076 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 -6.358 6.246 -2.619 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 -5.942 3.133 -4.210 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 18.174 7.506 -15.274 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 -3.201 7.360 15.503 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 -4.181 4.473 -1.422 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 13.629 10.079 -17.267 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 14.247 -6.103 7.292 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 -2.476 1.991 5.112 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 -3.671 -12.132 -8.446 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 -14.401 -20.599 0.640 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 -8.081 -0.012 3.672 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 -0.629 6.202 4.942 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 -47.174 -27.226 -3.104 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 -0.176 8.228 0.031 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 10.191 -8.796 15.341 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 -9.027 -5.277 -15.846 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 4.118 0.250 -5.124 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 15.258 -5.110 5.877 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 9.065 -6.348 -19.725 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 0.094 1.695 0.065 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 -5.495 -16.292 11.470 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 11.490 -5.566 -18.615 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 4.756 0.618 0.985 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 3.361 1.076 -4.794 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 12.636 6.169 19.825 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 -2.173 4.149 5.012 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 17.159 22.921 -3.922 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 -26.674 -9.777 -14.901 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 -5.137 -1.281 -0.287 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 -16.165 10.841 1.253 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 -8.677 -2.931 19.688 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 5.493 3.143 -5.448 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 -4.709 -3.655 19.580 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 3.224 -3.454 -10.576 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 2.688 2.665 4.003 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 -4.282 -36.146 -11.927 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 14.117 -20.672 -4.201 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 -4.678 1.722 -2.599 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 -7.491 -2.533 -2.887 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 -10.089 -9.349 -5.343 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 4.838 -4.493 5.418 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 10.682 -4.048 20.252 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 11.275 2.056 -3.136 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 -2.657 -2.844 -3.159 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 16.535 -14.678 3.451 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 -2.972 -22.632 -22.900 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 -9.841 -0.595 -4.519 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 -19.782 -3.684 -6.015 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 -6.723 -5.052 4.734 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 -6.071 1.385 4.993 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 3.294 12.326 19.659 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 -11.191 -6.629 -9.139 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 -2.782 0.589 -3.431 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 8.958 -9.011 8.479 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 -5.829 -8.379 16.829 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 4.393 8.685 2.182 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 2.043 -24.395 2.654 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 -4.709 5.234 -2.933 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 0.089 4.248 1.207 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 5.158 22.611 -7.147 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 -5.017 -14.546 9.899 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 -4.513 0.292 0.340 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 -15.985 4.029 1.130 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 1.778 0.460 9.121 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 2.952 -2.470 -2.636 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 8.416 19.815 20.561 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 -6.448 -11.523 -2.653 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 3.074 3.820 6.456 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 -6.364 3.358 8.350 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 1.858 -1.611 18.653 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 -3.585 -0.450 5.026 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 -3.414 -3.327 -1.566 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 13.652 5.249 -3.891 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 -5.186 -1.469 0.534 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 -0.598 -3.459 -16.089 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 -0.019 -5.454 -16.892 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 -2.825 2.262 0.479 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 16.981 7.470 8.240 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 3.840 1.880 8.421 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 1.778 1.671 1.764 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 6.210 13.036 8.363 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 0.350 -3.486 -0.491 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 -1.271 1.615 -1.353 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 -0.512 -3.106 14.957 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 -19.324 11.935 -4.955 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 6.142 6.178 4.311 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 6.504 35.049 32.248 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 -21.862 -14.133 0.679 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 1.351 3.945 -1.565 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 5.033 1.756 -2.570 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 -10.774 2.992 2.461 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 3.815 1.056 -1.662 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 -0.271 6.167 -9.454 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 0.655 5.101 -7.555 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 -1.482 7.209 -2.013 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 -3.024 4.554 -3.108 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 -10.294 -0.725 -5.674 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 -5.242 -3.295 4.246 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 30.431 -9.301 17.455 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 -17.375 -1.235 -0.552 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 1.495 -1.649 -3.544 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 -0.001 -4.124 -3.277 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 -16.139 -7.599 -5.430 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 -4.688 -1.538 10.154 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 3.441 32.793 20.749 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 -23.877 -9.318 0.714 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 -3.141 7.783 -4.589 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 -0.551 -8.388 -1.029 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 -6.174 11.612 -4.141 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 -1.670 3.664 -2.065 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 19.468 0.047 11.552 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 11.143 -8.544 -0.195 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 4.157 -4.503 1.266 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 10.254 -14.025 -20.933 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 6.364 -2.128 -22.613 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 3.407 4.326 -5.494 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 22.717 5.276 4.323 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 21.796 4.571 4.134 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 -2.744 0.541 -2.463 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 -9.039 -12.223 9.982 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 -11.073 12.017 2.363 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 -0.705 -6.524 -0.057 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 -1.407 -12.522 -6.818 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 -4.190 -6.472 -2.048 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 -1.347 -7.421 1.483 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 8.902 -10.079 0.475 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 -5.770 -7.613 -13.810 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 6.367 -3.101 -5.665 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 -12.336 -7.473 5.178 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 -13.745 -7.720 6.186 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 3.567 -1.493 -0.709 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 11.642 -19.047 -11.656 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 13.557 5.464 1.092 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 -4.206 5.534 -4.519 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 5.440 16.755 10.650 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 -9.248 -1.306 -18.363 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 -4.979 -2.796 0.752 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 16.275 -9.709 -26.147 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 -27.444 7.504 -19.347 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 1.455 2.372 -0.309 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 6.080 1.027 11.995 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 1.249 0.742 5.894 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 -3.614 8.328 -1.047 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 -0.521 -7.050 1.319 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 -1.502 -4.375 6.076 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 -4.271 0.928 -6.083 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 13.761 -2.032 -10.277 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 -4.526 0.653 4.235 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 -1.021 -4.532 -1.286 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 1.369 -5.755 -0.173 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 -5.791 -3.316 -2.671 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 -4.698 -3.519 2.189 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 -9.217 6.553 -1.206 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 -13.153 7.541 2.826 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 9.823 -1.676 -5.173 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 11.424 1.229 -1.205 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 10.573 -16.629 5.306 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 -0.165 0.164 3.699 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 -6.849 -3.997 2.155 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 0.237 19.035 9.871 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 2.517 -1.332 2.554 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 -16.286 -0.454 23.435 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 -11.992 1.108 -22.207 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 5.768 -0.309 -2.150 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 -13.534 -13.247 -3.861 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 8.214 2.609 11.441 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 0.667 -2.715 -3.700 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 1.222 -4.337 -1.997 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 5.185 -5.163 -7.595 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 -5.188 -2.095 -3.057 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 -8.183 -3.772 11.638 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 7.796 13.141 -8.035 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 -2.797 6.387 4.141 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 -1.810 0.747 -2.041 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 -3.847 10.865 1.533 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 -3.590 0.455 2.364 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 -11.081 2.304 8.101 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 9.755 -21.777 1.739 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 -2.925 1.688 4.723 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 2.811 -9.616 -4.482 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 -4.019 -7.560 4.861 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 -0.242 -2.356 1.030 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 1.333 -6.386 -3.658 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 -0.468 6.127 14.580 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 -3.152 -0.173 1.035 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 -11.985 -9.938 -21.122 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 -3.228 -11.848 -25.293 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 1.371 1.162 -1.142 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 1.284 9.925 -3.770 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 4.886 3.569 1.049 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 -5.376 12.412 3.103 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 -0.895 -24.940 -7.639 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 -15.517 -23.486 -3.278 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 11.324 -6.819 -2.698 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 18.670 0.426 -5.680 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 9.842 -8.641 -1.611 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 -3.605 -2.719 -4.320 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 -6.843 -11.543 -3.360 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 -1.778 0.514 6.832 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 -0.085 6.838 2.616 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 4.124 -11.104 16.691 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 -0.552 6.467 12.575 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 0.625 5.005 -0.226 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 -12.374 2.127 -17.812 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 19.178 -18.613 -4.558 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 2.812 3.204 5.183 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 5.661 3.049 5.185 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 -8.259 -10.159 7.745 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 -5.745 1.028 -3.519 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 -8.943 4.837 -18.337 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 13.147 16.461 26.526 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 -5.183 0.779 -6.860 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 0.995 -4.851 -5.073 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 7.704 17.419 -5.649 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 7.552 0.656 2.284 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 13.867 -4.138 -10.456 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 7.334 -13.862 -2.351 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 0.275 7.595 2.856 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 0.309 14.288 1.962 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 -7.876 4.810 -15.486 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 -1.949 -1.305 0.361 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 -3.780 -7.515 0.633 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 -4.771 32.472 5.799 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 0.175 7.811 2.797 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 -18.843 19.156 -5.358 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 -6.187 -11.430 -30.417 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 -2.876 -4.401 0.326 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 9.062 -3.202 3.991 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 -15.143 -24.700 -5.905 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 -2.175 -3.434 -8.573 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 0.687 -8.501 -7.110 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 -0.809 -0.582 -18.042 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 2.168 4.065 2.267 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 7.246 15.138 -12.031 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 -5.552 2.201 8.386 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 0.282 1.961 -2.555 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 -7.775 -0.365 4.656 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 5.432 -1.603 -4.977 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 -1.666 5.651 -4.001 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 -13.175 8.479 7.369 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 -15.145 33.402 -7.544 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 1.676 1.920 -1.438 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 -7.625 4.490 5.610 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 -11.240 -2.134 -3.184 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 -4.604 -5.184 5.931 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 -18.443 -3.977 9.249 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 -19.656 -6.658 17.368 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 4.140 -0.501 2.415 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 -7.924 3.791 10.347 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 1.635 -14.782 -9.689 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 -4.804 -0.551 4.792 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 4.452 -2.731 10.842 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 -11.914 -2.503 13.195 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 -5.982 2.689 4.460 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 10.412 15.210 7.538 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 3.478 30.259 27.245 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 -0.736 -2.092 0.085 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 0.135 -5.368 -0.147 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 2.414 2.004 0.187 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 4.915 7.100 -3.019 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 7.185 -18.138 8.404 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 20.966 -5.687 2.064 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 -6.526 -5.665 -3.713 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 -12.211 -6.801 28.251 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 1.883 10.514 0.524 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 6.062 -3.658 0.375 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 0.961 -4.267 -2.309 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 14.513 -2.820 4.036 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 0.178 1.728 2.584 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 8.420 -2.563 5.723 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 2.102 7.170 -9.258 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 -10.131 -5.915 -2.579 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 -9.431 -11.098 2.745 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 -19.199 0.839 -5.134 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 -2.894 -0.475 -1.135 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 12.535 -0.088 1.201 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 -9.484 18.160 0.370 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 1.960 0.555 1.471 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 -18.083 2.468 -3.746 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 18.936 -3.454 24.895 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 2.649 -1.242 -2.057 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 2.551 2.170 -6.983 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 -7.925 -5.689 -0.108 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 5.733 -3.103 -2.751 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 -14.070 -5.863 4.747 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 4.216 -0.543 -1.483 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 7.825 3.678 -0.398 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 10.872 6.822 0.377 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 10.791 -1.259 5.313 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 7.564 -8.996 -6.012 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 16.777 -2.558 -3.930 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 6.535 -13.712 -4.552 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 4.055 -3.947 0.576 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 -11.934 -14.662 0.872 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 8.704 -1.993 0.822 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 -3.112 3.739 -2.681 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 0.980 -16.466 4.421 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 -7.420 3.066 -21.550 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 3.801 -0.154 5.028 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 7.947 5.519 -0.895 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 -4.850 19.420 11.581 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 -3.690 -3.454 -8.034 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 -9.478 -5.028 8.425 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 -8.761 3.657 -4.195 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 1.501 -1.459 2.348 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 4.544 18.249 -1.119 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 24.916 -20.651 -8.740 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 -3.144 4.391 6.097 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 -32.128 14.177 9.379 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 -9.294 -14.420 9.124 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 6.433 8.843 -2.408 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 -0.793 -6.996 -4.956 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 3.680 8.551 11.362 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 -4.809 -3.527 -1.092 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 -19.211 5.176 -5.900 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 -7.952 -3.461 0.272 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 -8.694 -0.353 -4.654 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 -23.044 -2.287 -7.252 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 19.024 -7.111 -7.110 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 -2.033 -6.891 2.525 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 -8.238 -5.375 7.037 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 0.285 -5.667 6.465 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 5.102 -6.991 -2.945 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 1.536 -9.861 17.920 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 4.881 0.712 11.640 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 0.469 -1.474 -0.735 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 4.725 2.940 10.965 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 -13.075 8.716 -12.779 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 6.827 -3.830 -2.071 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 -8.102 -24.154 -8.656 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 -2.445 21.940 19.663 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 1.241 1.027 6.468 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 4.068 -23.631 -7.666 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 -5.192 -28.420 3.308 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 2.586 -7.393 4.954 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 19.063 -7.901 -1.340 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 8.149 -4.472 -0.035 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 -6.273 -1.859 0.333 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 11.005 -12.285 9.746 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 -3.165 -17.198 -6.437 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 5.470 2.292 -0.110 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 5.827 0.775 0.394 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 13.320 -11.845 5.668 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 -6.796 -1.542 -5.967 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 0.933 -1.704 -24.600 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 10.099 12.487 4.728 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 -0.188 5.427 3.776 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 -6.594 8.625 4.593 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 -23.846 12.888 3.682 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 4.015 1.101 0.318 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 11.653 -4.275 0.210 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 5.163 -4.469 -7.128 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 -1.804 -0.373 -3.858 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 -2.574 -3.185 43.002 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 -1.386 -2.206 -1.142 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 5.488 -3.969 -3.791 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 17.120 -15.191 4.149 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 -0.962 13.700 -1.975 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 0.424 -4.366 -3.158 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 -19.265 -0.338 -16.877 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 12.452 11.080 8.477 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 2.376 -0.032 -5.611 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 -8.024 3.112 -18.687 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 -11.113 -9.974 10.430 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 2.442 0.470 -1.175 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 1.199 5.262 -0.251 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 15.615 0.479 -14.356 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 4.740 0.575 -0.312 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 29.474 5.081 2.543 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 -8.338 17.740 -12.540 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 3.111 -4.864 -3.530 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 0.872 -7.826 -6.340 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 13.083 6.303 9.295 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 1.276 6.126 -4.149 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 -9.271 9.425 10.457 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 11.432 -17.232 -1.634 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 3.369 2.428 1.047 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 -24.945 -29.278 22.836 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 4.601 4.808 0.029 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 -1.585 -2.189 5.788 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 0.912 -1.581 -13.728 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 -25.643 7.972 -15.237 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 3.880 -4.710 0.487 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 5.590 -2.412 7.238 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 3.204 -5.043 -0.827 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 -1.205 4.557 1.696 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 -13.090 -16.821 12.519 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 -18.401 23.953 2.194 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 2.470 1.683 -5.010 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 -10.688 12.124 -8.863 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 34.246 22.944 -1.066 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 6.895 0.880 -0.451 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 -15.822 -8.277 -13.459 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 -8.321 10.007 -14.495 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 3.290 -3.136 0.145 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 3.153 -1.798 -1.546 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 5.482 -11.066 8.228 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 2.815 3.755 1.165 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 7.366 16.033 9.400 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 -24.892 -8.350 -12.233 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 4.164 -0.592 5.880 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 -4.784 -8.001 -7.251 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 -7.211 -8.721 -5.951 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 6.559 8.046 2.640 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 12.158 -20.519 3.326 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 -2.054 7.779 -15.938 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 1.803 0.165 -0.870 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 -11.644 2.252 -13.247 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 7.916 -6.754 9.976 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 -2.306 -2.208 -3.875 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 6.952 9.787 -23.394 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 14.015 6.155 -7.550 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 -4.180 2.866 -9.668 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 -2.413 -13.015 -9.450 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 -3.109 5.248 -24.724 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 -1.270 5.685 7.112 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 6.527 5.635 7.715 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 0.321 9.589 9.211 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 -2.796 4.373 -2.399 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 -12.144 -4.548 -2.717 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 7.948 -3.408 -4.620 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 -1.594 2.783 -9.526 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 -18.641 -0.358 -25.636 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 1.509 2.420 0.956 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 0.473 1.506 2.226 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 20.908 3.760 2.820 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 -1.016 -18.434 1.465 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 5.380 -3.787 -0.591 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 13.193 -7.874 -13.154 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 7.200 -2.618 2.871 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 0.670 -1.706 -1.920 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 -4.908 9.559 -12.372 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 6.875 -5.526 -3.059 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 -6.971 2.820 -1.448 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 -14.146 -3.795 -5.180 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 -2.680 -19.887 -13.866 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 -1.611 0.704 -1.305 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 33.208 8.446 -6.830 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 -41.926 -7.104 4.455 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 1.645 1.043 1.518 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 7.693 12.433 6.363 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 3.518 -3.848 0.723 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 4.167 -0.793 0.370 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 -15.933 5.118 -22.945 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 1.361 -3.738 -5.234 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 4.095 -1.811 3.170 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 19.311 -8.563 -0.544 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 -9.240 9.953 12.799 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 -0.374 0.098 -4.412 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 9.272 -14.451 -5.508 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 -6.757 12.021 4.852 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 -2.173 -1.944 -4.674 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 5.197 1.926 7.866 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 2.667 13.148 6.643 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 2.910 9.776 -3.897 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 -16.792 8.870 20.971 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 -8.690 13.346 13.823 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 -1.506 -3.834 4.356 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 -10.797 -17.829 0.352 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 -3.834 -5.012 8.895 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 10.927 -1.533 -2.175 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 -5.084 -28.122 12.713 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 -11.695 17.309 -8.499 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 -4.025 4.876 -4.972 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 17.077 10.726 -2.554 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 15.616 -22.525 -3.910 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 -2.685 -2.122 -2.156 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 4.681 -9.321 -9.176 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 -14.977 -7.766 -0.941 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 4.326 -2.869 5.961 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 19.090 -3.299 3.121 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 -12.368 -2.220 12.969 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 2.138 -0.236 -0.932 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 0.428 -1.938 4.694 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 13.804 29.584 -14.031 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 3.732 -1.407 2.708 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 -12.549 -15.644 11.897 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 -15.864 -8.644 9.437 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 -1.647 -3.603 3.347 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 11.111 -14.131 -0.606 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 -1.042 -1.526 4.614 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 1.832 -3.280 -1.581 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 -13.504 8.373 -15.756 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 1.459 -2.754 -1.199 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 -2.505 0.214 4.301 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 0.806 -3.806 1.901 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 8.375 -15.706 -1.218 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 0.935 1.760 -1.990 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 13.862 1.473 3.259 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 14.580 1.972 4.087 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 -3.250 4.973 1.851 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 3.005 17.603 32.024 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 5.144 -2.421 22.274 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 -2.612 5.036 -1.503 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 9.475 25.968 21.470 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 -16.322 -5.979 -6.959 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 3.957 -4.144 0.958 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 -2.198 -5.310 13.715 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 21.234 15.414 13.611 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 1.144 -8.846 1.594 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 -4.188 -9.366 0.351 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 -15.898 -12.580 -1.566 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 4.613 4.092 -1.007 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 9.242 22.006 5.087 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 -28.068 11.291 -4.383 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 7.139 -1.954 3.339 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 12.435 0.821 4.291 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 17.148 -9.220 -5.425 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 -3.173 -2.805 3.628 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 -15.338 -6.546 -10.255 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 0.271 -24.824 -24.508 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 5.681 -2.506 -2.790 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 -11.522 3.439 -10.542 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 16.637 -19.883 1.448 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 6.503 0.383 7.446 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 20.569 16.677 5.124 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 3.360 -3.803 2.884 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 -1.647 2.705 1.571 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 7.610 3.014 5.387 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 11.885 1.206 5.043 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 6.231 5.808 -4.135 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 -7.095 1.753 0.533 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 2.260 -6.121 7.541 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 -0.557 2.437 2.723 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 -4.693 -17.942 13.031 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 -4.231 -16.981 2.749 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 0.419 -2.974 -7.628 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 -6.881 14.037 -16.130 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 -12.578 -23.890 -30.485 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 -2.337 -2.392 -4.248 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 4.007 -9.794 -8.699 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 -5.550 4.492 -16.911 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 -1.623 -1.848 0.529 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 -6.876 -8.292 -1.421 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 5.492 -4.622 -4.062 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 -0.696 -7.585 3.159 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 -24.584 2.924 -5.256 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 -1.803 -12.095 7.147 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 -2.693 2.875 -1.526 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 -5.112 4.751 13.460 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 -21.745 -5.693 -16.084 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 1.879 -2.532 1.628 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 11.129 10.119 -2.052 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 -2.699 7.462 -3.617 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 -0.860 1.752 -1.157 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 1.692 -1.412 1.474 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 -3.496 0.532 -1.617 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 3.269 3.332 -4.192 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 15.971 -13.470 13.445 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 -21.644 5.252 4.453 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 -2.099 -0.771 -4.408 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 -10.317 -18.017 -13.275 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 5.497 7.419 -2.744 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 4.152 1.037 -4.515 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 -3.718 0.562 -6.283 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 -9.613 -9.501 5.464 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 -0.420 2.349 -1.023 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 -8.722 -18.060 7.528 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 9.493 -5.203 11.998 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 -4.742 -3.478 -0.315 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 -7.021 -2.478 0.637 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 -7.438 -1.200 -1.400 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 2.693 4.954 -4.900 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 -19.193 -5.160 3.535 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 21.038 1.177 -20.452 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 0.343 -0.258 -2.437 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 -0.207 -0.523 6.870 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 4.067 -0.027 -4.236 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 -1.111 -1.335 -2.489 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 -20.076 21.535 -20.600 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 -11.290 2.298 30.416 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 0.784 4.984 0.039 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 -1.333 2.166 -0.851 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 8.134 29.327 10.584 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 2.302 -1.846 -1.936 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 -5.738 -5.404 -1.849 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 6.224 1.710 -11.094 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 2.708 0.887 9.899 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 -17.861 -21.938 3.044 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 8.336 -13.041 -16.084 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 11.163 0.141 -2.619 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 -1.528 9.733 11.356 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 26.602 0.283 -11.161 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 4.529 2.029 -5.734 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 13.235 20.118 5.176 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 -21.559 14.338 7.821 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 3.616 -5.973 3.409 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 -4.966 5.757 -10.061 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 -10.037 2.326 -3.179 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 0.831 4.708 1.802 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 18.705 -9.933 2.122 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 -9.073 9.334 2.353 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 12.572 -0.647 -0.399 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 15.490 8.361 1.724 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 6.496 -2.599 3.710 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 4.269 0.958 -1.418 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 3.471 -1.235 8.977 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 -4.309 5.365 -1.914 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 2.771 -1.957 3.794 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 18.283 2.430 14.531 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 8.697 -0.366 -13.895 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 2.652 5.018 0.666 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 0.496 18.568 5.759 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 5.009 1.116 -11.803 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 0.104 -4.996 2.398 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 3.074 -9.861 6.028 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 -3.288 0.874 -1.848 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 6.884 -1.045 -3.289 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 6.891 -2.360 -12.492 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 -5.170 -1.572 16.541 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 -6.135 2.304 -5.712 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 -9.921 17.730 10.532 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 11.665 -5.855 6.894 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 -2.038 -2.062 1.256 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 3.703 -0.275 3.949 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 -21.469 -8.614 -7.657 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 3.061 2.667 -0.967 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 -15.711 -4.052 6.715 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 -3.556 -21.585 1.237 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 0.381 7.342 10.860 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 2.901 3.292 12.284 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 -5.448 8.736 10.233 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 3.296 -0.893 3.330 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 10.186 -20.265 9.354 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 -8.846 8.581 13.193 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 -3.387 2.661 -3.594 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 -3.834 -0.533 18.369 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 -8.019 -12.846 3.571 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 -5.459 -2.647 0.719 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 10.797 -2.756 1.994 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 -4.710 -8.323 -4.026 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 5.973 7.430 0.056 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 14.893 -9.627 4.786 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 0.486 -2.018 -0.020 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 -2.008 0.602 -0.564 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 18.203 -29.557 2.823 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 -15.906 -30.454 2.770 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 -3.988 -9.418 -3.426 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 8.714 -9.595 -8.063 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 15.045 -24.093 1.883 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 6.643 -4.272 -1.387 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 10.083 -16.124 -28.228 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 -25.916 12.980 28.484 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 1.094 -1.176 2.514 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 0.657 4.256 -5.897 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 1.430 1.146 2.513 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 -1.657 -0.716 -1.139 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 1.771 2.814 -6.319 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 -8.528 -3.979 13.762 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 3.367 -4.570 -4.504 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 17.175 0.415 -7.813 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 4.000 -12.960 -0.515 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 5.179 5.724 7.277 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 8.055 4.249 1.014 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 8.572 5.023 14.197 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 2.025 0.273 4.277 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 4.974 -8.462 8.188 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 1.825 5.912 11.602 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 -1.029 -0.159 -5.791 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 -9.489 17.286 -34.068 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 -5.100 20.064 -1.697 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 2.807 -3.738 1.407 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 3.862 -11.537 15.050 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 4.576 -16.572 27.459 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 1.567 1.383 -3.980 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 -0.236 -8.102 9.480 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 -18.555 -19.153 6.740 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 -5.913 2.903 8.094 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 2.506 9.647 -15.955 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 0.954 -2.369 -10.646 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 -1.052 0.128 -2.603 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 17.056 4.425 3.679 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 1.327 -8.878 4.733 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 6.598 -3.109 -5.956 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 -13.031 8.808 17.292 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 -0.612 2.909 -20.958 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 5.920 -2.877 2.282 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 1.696 -6.922 0.976 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 2.087 -6.471 1.278 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 -3.228 -6.867 -7.791 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 6.172 10.097 -5.389 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 -12.634 -7.395 6.447 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 -0.499 2.627 1.612 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 13.364 2.672 19.203 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 -1.489 2.684 0.040 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 -2.686 5.282 -1.463 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 3.934 -9.102 0.842 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 -8.818 21.856 -9.815 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 8.486 0.364 2.886 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 17.625 13.412 18.935 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 -9.363 15.456 3.686 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 -4.533 -0.236 1.036 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 4.751 3.368 0.524 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 -8.650 -9.048 -12.060 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 5.953 0.875 -5.617 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 6.310 2.839 -9.573 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 4.357 -12.207 22.784 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 8.952 -5.706 -1.540 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 -8.938 -17.605 -12.744 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 -13.362 3.920 3.464 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 -0.076 3.399 -1.334 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 22.746 18.673 18.901 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 -16.784 -20.997 -3.173 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 -3.158 0.845 -6.253 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 -13.945 8.175 -1.650 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 -21.961 10.346 -9.402 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 -0.491 -2.286 -1.357 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 -1.703 -1.741 5.777 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 1.303 0.877 -2.919 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 -5.033 -0.530 -4.977 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 -0.584 9.604 -14.749 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 -13.199 -10.120 8.590 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 1.550 1.347 1.003 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 16.587 -8.318 -5.039 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 -11.813 -12.417 4.761 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 2.337 1.643 -2.230 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 -6.042 17.263 21.397 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 -5.323 7.633 -0.851 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 4.859 0.468 -1.382 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 11.390 -9.730 18.415 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 -16.881 7.909 4.376 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 -6.580 -4.422 3.838 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 -10.239 -9.982 -1.485 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 -6.727 11.536 23.617 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 1.083 -3.560 6.656 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 5.154 4.719 -9.278 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 3.345 1.547 -5.526 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 -4.941 0.142 2.246 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 3.956 1.337 -1.863 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 6.350 10.441 22.820 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 0.611 8.676 1.310 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 -1.696 5.843 11.777 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 22.588 29.451 10.466 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 2.859 2.822 -1.931 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 1.687 2.552 -7.436 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 3.047 2.557 -3.638 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 1.466 7.086 -0.305 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 -5.543 -7.135 -20.794 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 19.811 -3.155 0.571 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 -0.550 -1.833 -3.885 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 2.071 4.233 -12.862 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 -3.827 -10.109 -8.677 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 -8.074 0.536 -4.374 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 10.125 22.001 -23.461 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 -12.854 -1.739 -15.678 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 4.920 -0.277 -0.735 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 -16.685 3.593 9.543 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 28.848 -5.322 -13.432 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 1.314 1.828 -6.497 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 3.422 10.413 3.476 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 -15.778 -6.156 -2.736 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 -4.087 -1.363 5.600 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 -9.286 -2.996 7.281 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 -13.268 -3.803 8.954 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 -2.189 0.422 -0.272 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 4.118 -10.137 3.586 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 -0.329 13.835 17.610 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 -5.498 -6.027 7.537 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 -12.114 -2.434 -2.248 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 8.240 -6.232 3.873 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 -3.477 2.072 1.200 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 -16.298 -4.219 3.287 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 -22.543 -11.556 25.508 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 2.202 6.623 -8.674 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 10.246 6.879 -9.280 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 -2.170 1.933 -5.508 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 3.490 3.785 -2.179 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 5.986 11.775 18.190 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 -1.065 -0.768 1.743 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 -1.619 -7.167 3.225 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 2.482 1.389 -11.797 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 -2.370 -4.665 9.537 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 4.070 0.729 0.480 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 -9.394 -0.704 -2.254 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 -11.040 2.243 -5.708 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 1.002 2.347 0.902 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 -3.683 -6.339 6.542 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 -0.790 8.215 11.495 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 5.770 -1.651 3.412 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 -7.515 0.575 11.933 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 24.947 -6.259 -6.662 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 -3.003 -1.656 4.696 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 9.234 10.506 7.164 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 -3.369 1.888 -1.109 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 -0.962 0.622 -1.829 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 1.219 -23.219 6.829 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 -19.868 -19.081 17.119 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 -2.166 0.343 -6.250 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 -2.244 4.145 -9.373 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 -12.748 9.734 10.393 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 -7.655 -3.043 0.915 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 -29.031 -29.856 -14.665 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 0.177 5.637 12.696 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 -0.261 -6.327 -10.264 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 5.506 -0.956 6.857 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 17.159 -14.054 -4.617 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 -1.294 -1.025 6.452 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 8.908 7.047 8.750 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 -23.277 23.496 -12.094 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 2.178 1.254 6.239 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 0.258 8.968 1.950 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 9.592 8.163 2.522 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 1.395 0.587 3.278 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 1.460 9.665 -3.254 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 -13.185 16.866 7.992 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 4.418 1.082 5.197 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 -16.849 -10.416 11.000 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 12.120 13.865 -0.861 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 1.000 -1.945 -3.272 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 -7.428 3.091 -8.846 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 -1.572 11.096 -18.040 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 -0.397 -3.972 -0.062 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 -7.575 13.018 23.216 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 -3.024 -25.651 14.177 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 5.796 -1.981 -0.008 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 -7.175 9.405 7.258 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 9.586 -10.658 -1.820 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 5.163 -5.068 5.472 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 -30.654 3.813 -10.248 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 28.135 30.614 5.537 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 0.159 3.043 7.812 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 -14.166 3.864 7.435 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 1.308 -16.214 0.845 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 0.784 -4.864 3.252 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 14.712 -5.564 13.559 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 -24.823 -6.431 -28.356 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 -0.946 -3.198 -1.570 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 -9.297 -16.240 13.065 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 -15.384 -7.636 -5.748 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 5.158 -4.231 0.653 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 -10.092 17.378 2.128 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 -21.304 -8.453 -9.794 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 -4.081 1.285 -3.120 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 -4.153 -25.791 10.125 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 23.284 11.237 2.726 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 -0.412 1.610 3.152 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 -2.254 3.855 4.341 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 7.572 3.030 7.879 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 4.735 -9.166 -2.551 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 -5.733 18.422 -21.842 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 23.509 -6.158 0.461 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 1.905 4.751 5.725 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 19.077 -8.533 7.952 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 2.829 -2.094 -3.683 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 1.560 -7.808 -0.868 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 -25.971 -8.249 40.219 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 21.206 -2.669 18.195 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 -3.355 7.221 -6.411 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 1.296 -2.537 -1.995 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 2.867 -7.453 -4.025 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 1.197 -0.310 -3.647 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 8.213 7.437 5.150 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 -27.132 -11.366 -6.179 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 -1.404 3.628 1.617 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 0.313 10.713 -11.085 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 -1.174 3.278 1.432 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 -6.924 -2.825 1.075 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 -21.911 26.632 -14.890 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 -3.279 -11.542 1.452 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 -1.186 3.437 -3.464 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 9.688 -4.517 3.342 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 -5.928 9.233 -4.995 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 -1.851 -1.331 3.235 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 -0.326 0.646 6.143 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 -18.492 16.932 -14.230 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 -4.361 -2.454 0.745 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 1.960 20.841 -0.575 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 -3.503 13.999 -1.074 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 3.935 1.001 -5.142 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 2.444 -2.210 9.313 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 12.981 10.610 -17.397 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 1.260 1.567 -1.205 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 7.754 15.236 20.836 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 -18.684 2.696 11.952 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 0.162 -1.722 1.784 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 13.735 -0.350 5.522 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 6.370 10.115 25.066 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 -2.997 5.576 3.520 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 9.798 -14.299 -2.063 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 -43.444 10.665 -11.441 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 -0.587 0.115 1.424 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 0.930 4.584 -16.610 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 11.511 -8.887 1.251 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 -2.621 -4.377 3.368 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 -23.295 -3.761 13.834 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 -0.767 -0.131 -5.017 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 -1.816 -2.231 1.951 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 -5.438 11.961 0.529 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 -0.030 8.219 9.387 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 -2.974 -5.362 1.461 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 7.973 4.012 -7.377 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 -9.286 -30.790 -7.242 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 6.233 -5.457 -0.656 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 11.426 19.463 -0.955 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 -4.434 -19.112 5.221 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 -5.497 3.840 -6.497 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 -3.298 -13.107 -11.767 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 6.463 5.321 0.266 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 -0.142 2.762 0.320 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 -12.942 -4.749 1.193 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 12.283 3.506 7.525 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 0.876 -3.096 -1.898 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 -2.832 -12.587 -1.549 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 -4.279 2.424 -1.434 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 5.181 -5.958 -3.326 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 -1.798 -5.594 -8.276 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 5.620 -5.017 13.860 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 -2.797 -4.064 0.641 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 9.373 -26.145 -13.419 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 7.327 -13.164 6.571 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 -1.241 2.055 3.104 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 -4.139 4.046 21.416 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 -8.340 7.056 45.196 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 -3.615 3.928 2.332 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 -5.910 -6.843 5.559 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 -2.632 10.466 17.079 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 3.306 0.585 -4.425 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 -20.218 13.216 1.208 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 -5.504 20.492 -10.539 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 2.470 -2.684 -0.862 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 7.804 4.787 -4.601 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 4.410 -5.428 -5.365 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 -0.307 -4.315 1.836 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 -7.034 8.550 -7.671 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 -5.591 -20.539 -7.902 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 2.033 -0.322 -0.289 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 0.741 2.503 0.183 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 -2.007 -6.112 2.839 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 2.244 4.057 2.062 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 0.173 -7.675 1.891 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 1.602 -0.457 5.064 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 -1.325 3.297 3.470 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 14.304 0.195 5.516 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 -8.819 7.359 -5.737 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 3.044 -1.121 -0.851 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 5.398 6.603 17.008 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 11.902 -4.583 3.892 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 -3.191 9.770 -2.588 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 5.570 15.412 -9.900 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 8.019 17.253 6.942 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 -1.875 -1.968 -2.730 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 5.604 5.322 -21.958 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 4.359 -20.280 0.246 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 5.743 -2.913 -4.576 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 0.669 16.920 -0.331 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 15.099 26.113 -2.265 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 5.468 0.351 6.763 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 -0.842 -4.855 4.248 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 -3.266 -5.619 2.022 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 -8.063 6.812 -4.024 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 -2.419 -11.689 1.406 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 -2.462 13.220 -1.706 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 -3.985 4.256 -0.674 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 -18.693 7.904 -18.256 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 -3.067 -5.150 23.507 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 3.566 -1.107 -2.147 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 5.785 5.832 11.715 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 11.942 -11.064 0.569 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 2.948 2.844 -1.632 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 5.567 -20.633 -6.829 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 7.424 2.164 -0.751 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 -5.974 1.565 -6.609 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 1.249 -2.112 -3.905 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 4.530 -22.750 12.330 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 2.065 1.659 -8.894 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 -13.552 -12.163 4.256 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 5.406 -4.018 -28.035 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 -1.238 -5.575 5.218 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 2.165 -12.477 4.485 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 4.800 -10.297 -5.980 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 5.447 1.494 1.899 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 -6.267 24.442 7.222 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 -1.825 -16.398 13.403 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 -0.799 -0.494 0.730 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 -11.601 24.361 -17.145 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 -1.036 8.331 -2.008 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 -1.041 -2.530 4.307 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 13.311 -12.176 16.898 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 -16.995 4.701 -9.445 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 6.901 5.407 -3.533 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 9.156 -4.088 -12.066 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 7.644 4.522 -4.100 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 -0.064 -1.933 -2.744 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 6.961 -1.086 11.847 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 9.190 -8.170 3.075 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 -1.312 1.396 -3.030 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 -33.096 -22.507 20.147 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 -12.875 -6.603 5.893 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 0.097 2.167 -6.664 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 13.815 -1.723 -8.287 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 17.734 0.754 -0.534 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 5.805 5.936 4.900 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 -9.374 -27.860 -27.269 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 19.437 24.580 4.159 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 -11.106 -4.535 -7.665 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 -20.064 -5.930 -20.570 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 -24.018 10.214 -3.444 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 3.895 1.393 -0.083 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 0.281 0.541 -3.345 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 8.261 -2.987 -0.919 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 -3.808 6.973 5.839 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 -2.370 3.161 5.466 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 -8.342 2.191 4.074 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 4.215 -1.167 -7.429 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 4.232 -30.008 -10.161 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 3.446 17.014 -8.775 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 3.818 -3.598 -2.120 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 23.544 -0.017 -26.281 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 -3.391 -37.064 -17.600 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 1.184 -4.623 0.248 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 14.424 0.380 -6.258 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 21.045 2.664 -7.862 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 2.296 -0.227 -5.008 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 -2.122 15.931 13.834 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 22.499 1.472 -5.799 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 -5.596 4.017 1.068 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 1.296 -20.082 -11.125 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 -17.405 25.692 13.517 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 3.940 6.871 5.027 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 11.769 5.271 2.561 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 1.577 -2.964 16.412 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 2.448 -3.424 -3.630 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 14.865 3.969 0.664 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 3.110 -11.451 -0.290 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 -0.717 -0.502 -3.725 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 -0.524 -5.859 -2.131 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 9.176 15.910 0.328 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 -2.421 -6.620 -0.922 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 16.302 5.623 -11.773 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 26.395 -27.522 -19.757 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 2.635 -0.568 -5.387 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 -3.888 -6.952 -2.491 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 8.036 5.833 -6.765 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 0.663 0.267 4.543 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 -0.525 3.073 27.375 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 -16.094 -3.283 6.032 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 -10.156 3.735 7.352 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 0.875 7.823 7.261 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 -9.667 -1.008 5.430 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 7.017 2.196 -1.710 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 13.505 4.268 -19.631 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 -2.414 11.200 -7.260 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 0.570 -1.054 1.961 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 -0.771 4.173 3.964 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 -1.662 -6.303 -1.089 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 -1.614 -1.506 -3.320 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 -0.464 -1.301 5.596 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 -18.850 -0.825 -2.251 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 1.304 7.312 4.055 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 -5.838 3.893 -30.285 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 -2.219 -2.507 -7.485 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 -2.018 2.502 -6.254 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 27.514 8.778 6.373 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 -0.876 0.865 -10.013 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 2.757 0.934 1.063 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 -5.687 12.519 19.145 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 -0.941 1.011 -6.802 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 7.620 -3.920 0.767 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 23.163 14.297 -9.303 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 15.818 -1.268 -2.155 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 1.374 -0.969 -0.508 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 -0.256 4.848 0.855 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 7.657 -25.383 8.729 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 -2.571 7.315 -5.051 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 -2.617 6.866 -5.672 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 11.014 -11.909 9.160 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 -0.136 1.612 -0.383 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 -10.867 0.798 -7.032 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 14.056 8.022 -20.699 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 -3.533 -7.917 -2.540 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 -1.805 -14.215 -1.323 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 -2.329 -5.826 1.643 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 6.395 -5.336 -1.916 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 9.632 -0.615 0.871 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 11.488 -1.210 -4.537 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 2.490 -0.915 -3.519 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 -3.327 2.226 -0.088 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 -5.370 -24.474 -21.005 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 6.674 -1.694 0.612 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 5.814 -5.450 -0.878 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 8.510 11.643 5.788 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 -0.042 4.771 1.670 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 -3.807 5.762 1.013 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 2.256 3.880 2.672 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 -1.280 4.011 -5.009 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 -14.382 -4.684 -13.648 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 1.983 -3.596 -0.424 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 7.880 -3.314 -1.655 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 -19.182 15.353 10.912 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 19.168 -4.491 1.294 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 -0.704 -4.565 -0.444 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 -5.493 6.346 -0.865 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 -1.501 -7.698 4.831 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 -0.086 -2.314 4.729 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 17.781 -9.728 13.864 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 -0.311 14.085 10.399 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 3.629 -1.292 5.817 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 31.096 5.184 20.571 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 1.192 -20.957 -5.700 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 2.377 1.898 -6.847 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 -18.595 15.823 -9.185 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 4.911 -3.697 -5.118 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 -1.866 4.624 -0.368 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 -2.078 3.481 0.146 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 -6.571 0.598 3.471 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 -5.218 -1.365 1.311 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 0.900 -22.184 -1.884 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 11.870 7.963 -5.301 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 -5.110 -2.387 -5.995 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 -0.184 9.277 -16.021 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 -10.702 18.029 -18.782 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 1.774 1.405 -7.331 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 2.714 2.573 -3.613 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 3.178 1.415 -2.652 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 -4.161 4.459 5.381 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 -6.175 3.083 12.124 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 19.442 -13.795 -19.343 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 -2.485 2.164 1.730 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 2.855 7.089 -5.335 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 -2.967 7.595 -11.244 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 -2.279 -2.785 -0.490 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 -10.737 -2.124 -5.894 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 -0.189 6.312 0.344 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 -4.345 -4.632 5.243 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 7.445 0.502 25.141 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 -16.059 -21.774 4.673 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 -2.840 -1.505 1.015 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 11.354 -2.922 -14.318 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 -2.156 0.974 -13.644 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 2.655 -0.845 1.408 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 30.059 -16.931 -4.921 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 -12.989 -5.926 7.903 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 3.765 0.993 1.259 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 -2.904 -18.598 9.949 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 5.846 7.512 -1.903 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 1.465 2.807 -0.037 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 -37.038 9.843 1.809 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 -14.930 10.385 22.381 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 -2.947 -6.634 -0.243 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 3.306 -2.706 6.948 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 -0.463 2.570 11.360 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 -0.987 -4.711 -1.110 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 -2.789 -21.416 10.499 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 2.748 20.977 -2.105 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 -8.188 1.057 0.038 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 9.373 -22.055 -1.079 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 -18.948 -22.281 -22.704 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 1.214 0.386 1.439 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 3.692 -10.614 13.094 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 -8.406 -7.798 -5.238 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 2.906 3.824 -1.980 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 3.820 -24.684 -6.194 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 3.452 -6.695 -3.485 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 2.624 1.845 1.658 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 -0.478 2.263 1.074 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 -11.947 6.594 -0.721 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 -3.099 2.695 0.647 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 1.288 3.841 -4.157 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 -8.767 0.619 3.504 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 2.845 -2.125 4.697 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 1.639 -3.500 1.420 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 -0.247 -4.993 8.808 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 -7.674 -2.389 -6.209 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 -1.021 -6.428 -14.651 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 -19.983 16.095 11.855 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 -0.157 0.754 -0.168 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 11.619 3.295 26.386 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 -7.112 8.858 14.410 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 5.297 5.924 -1.170 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 5.672 6.559 0.634 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 1.724 13.119 1.459 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 -4.526 1.668 -1.969 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 -22.565 3.314 -24.344 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 2.155 2.406 -11.832 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 -0.150 -4.020 -0.523 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 4.640 -16.810 -18.227 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 -20.644 -10.382 4.279 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 2.374 -8.328 -2.459 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 5.677 -10.325 -1.060 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 4.147 -17.577 -5.790 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 -0.391 2.767 4.171 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 -12.725 0.110 18.951 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 0.148 2.716 4.430 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 4.470 -2.539 -0.024 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 3.354 1.571 6.422 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 3.525 0.906 3.373 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 -4.254 -3.650 -1.601 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 -3.568 14.685 24.794 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 -11.395 13.508 3.194 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 -1.953 1.615 -3.930 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 -0.513 18.330 -25.510 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 -3.805 0.864 -6.389 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 -4.772 4.661 -0.358 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 14.629 23.204 -6.090 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 -13.550 -0.246 1.077 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 -3.898 2.506 -4.363 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 -0.841 4.943 -2.528 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 -19.876 -6.622 -9.696 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 0.509 1.425 -5.516 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 -3.443 -11.479 -3.474 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 2.323 2.683 -5.307 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 0.095 -1.007 -1.077 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 -5.057 7.354 -18.758 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 2.163 -9.931 -26.202 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 1.364 1.343 2.755 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 -21.523 -8.931 -23.967 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 -13.262 19.330 26.898 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 -0.699 3.273 -0.816 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 3.219 7.177 -2.071 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 0.785 0.906 -6.318 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 -2.874 4.432 7.906 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 15.899 -20.484 -14.831 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 0.967 41.361 1.317 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 4.402 -4.655 0.371 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 19.398 22.347 9.726 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 -2.807 9.047 15.933 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 -4.191 0.280 -2.486 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 -2.487 -6.976 -2.514 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 -7.646 13.413 0.167 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 0.921 -4.988 -1.945 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 -29.225 -15.549 -7.813 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 7.028 -4.335 -2.721 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 -1.258 0.069 3.027 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 1.762 4.890 7.574 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 -9.558 -2.546 -6.918 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 -6.312 -3.270 1.548 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 -5.378 -6.449 -1.095 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 -9.961 -7.131 -4.755 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 5.255 3.203 -2.454 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 1.364 17.299 -10.945 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 3.884 0.983 -8.026 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 2.036 -3.291 3.197 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 2.881 -3.925 -17.867 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 6.458 -0.852 3.742 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 -6.019 -4.198 -1.632 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 7.878 -6.837 -4.907 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 -6.034 -0.609 -0.782 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 7.939 -0.662 4.268 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 21.394 -13.939 6.104 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 -11.408 29.353 17.324 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 5.554 6.530 -1.461 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 -5.314 1.785 -15.872 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 20.917 19.307 -2.429 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 1.020 -0.010 -0.622 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 -5.227 -3.872 1.289 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 0.628 -0.918 7.803 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 3.612 -10.406 -4.840 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 8.948 -20.901 -1.536 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 7.058 -5.520 -7.144 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 7.208 2.166 3.035 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 4.368 -3.005 -17.606 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 3.899 -11.740 -1.479 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 -2.234 -7.632 -7.002 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 -13.140 -5.019 -0.452 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 9.772 11.326 -13.212 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 2.209 1.849 -1.023 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 1.713 -4.686 5.057 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 1.555 -5.580 -7.802 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 5.855 1.707 -0.583 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 2.434 13.035 1.652 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 -10.835 -12.167 9.413 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 0.148 2.778 4.796 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 14.116 -6.458 22.146 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 -5.824 -0.397 2.740 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 -2.196 0.814 -3.050 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 -5.269 19.057 -21.048 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 -5.063 -15.887 1.843 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 7.384 -5.371 0.031 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 -6.095 7.891 2.232 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 -6.578 -18.251 -0.807 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 -2.836 -1.930 -1.214 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 -8.447 -12.483 -11.534 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 6.671 -14.147 3.270 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 -6.382 2.274 1.488 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 -20.084 3.162 -7.813 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 -2.402 3.074 2.705 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 3.923 -4.762 -6.171 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 3.970 -30.104 13.161 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 -15.843 12.396 2.051 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 9.102 0.229 -2.772 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 11.700 2.851 13.503 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 14.456 3.870 1.325 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 -3.167 0.471 2.589 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 -7.639 12.214 -13.071 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 15.068 -8.387 -0.740 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 0.737 -1.964 8.786 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 -2.687 -7.923 1.039 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 -0.811 -3.165 -2.366 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 4.402 -3.249 1.630 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 -1.845 -5.738 5.633 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 14.600 4.251 -5.438 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 -5.700 -4.149 1.429 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 -8.864 -5.278 -1.981 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 0.641 -6.624 -8.167 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 -3.303 0.262 2.659 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 0.994 8.562 1.184 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 -2.937 -9.945 -11.240 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 3.311 1.326 0.395 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 1.760 2.969 -2.368 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 5.728 -3.334 7.478 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 1.425 -1.613 5.628 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 14.406 4.469 -4.572 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 -16.608 -8.612 16.364 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 4.283 4.244 -3.716 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 1.789 -0.672 7.164 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 -3.884 7.183 17.188 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 1.296 0.237 1.358 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 -3.993 6.511 8.409 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 9.754 -2.070 -12.798 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 2.824 -3.637 1.579 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 0.467 -10.337 10.048 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 3.586 7.552 12.331 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 -0.265 -3.629 0.420 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 3.699 19.065 4.998 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 13.331 -0.651 14.108 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 0.175 0.086 -3.498 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 -0.799 17.722 -7.228 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 4.715 -21.004 3.422 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 -1.784 -0.188 4.942 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 9.709 -15.527 -10.800 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 -27.725 32.910 39.203 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 0.138 -0.400 3.609 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 10.093 3.082 -3.722 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 -9.186 -0.704 -13.991 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 -6.396 -0.361 -2.348 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 -13.444 -2.317 -8.305 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 -27.593 -14.854 -0.376 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 3.905 -5.002 -0.098 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 -3.765 -6.432 1.295 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 10.593 -23.601 4.819 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 -2.054 1.648 -3.209 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 1.998 5.186 -8.342 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 0.128 2.943 -3.708 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 0.757 5.810 0.605 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 6.299 -3.974 -6.674 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 -10.629 1.792 2.956 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 -0.915 -2.470 1.860 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 -0.009 -3.324 2.271 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 -20.234 -7.010 -0.677 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 0.963 -2.311 -0.228 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 2.914 -1.717 -2.497 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 -2.657 -13.070 4.632 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 3.410 7.488 3.318 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 3.397 2.542 12.234 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 4.209 -0.194 1.660 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 6.427 -0.367 -4.322 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 10.824 -6.528 27.237 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 -2.080 13.526 3.628 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 -0.832 -0.087 -9.147 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 3.370 -21.190 -26.108 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 -27.696 -4.901 -1.194 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 -1.681 -1.126 -4.684 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 8.209 -4.055 -15.098 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 -8.656 -3.732 -9.341 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 3.161 -5.041 -0.778 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 5.981 24.652 4.675 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 3.691 -12.095 -22.180 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 -0.238 -0.675 0.089 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 -19.608 3.311 -8.108 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 -1.186 6.436 8.165 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 0.322 -3.981 -6.095 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 17.300 4.757 -1.847 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 5.557 -9.439 7.057 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 0.957 0.184 2.352 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 1.791 0.693 6.613 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 -1.892 -0.845 -7.645 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 1.671 3.443 0.625 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 -2.487 -7.800 2.025 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 -6.286 -13.975 2.259 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 -0.622 -5.743 6.317 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 -8.722 -18.727 -1.084 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 -20.703 -8.882 24.283 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 2.025 -3.323 -3.518 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 -0.138 13.278 1.126 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 8.388 16.186 0.386 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 -1.230 3.084 -3.862 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 -15.549 -15.506 1.561 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 0.636 4.352 -4.433 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 0.710 2.182 2.281 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 2.594 16.986 17.896 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 -12.660 13.514 -16.718 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 7.088 -0.566 4.773 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 10.250 4.620 26.026 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 5.930 -12.638 -13.783 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 -0.374 6.236 -3.195 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 -6.421 -11.582 20.354 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 2.205 12.082 -5.886 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 2.129 -1.182 2.787 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 3.824 32.494 -16.360 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 -5.218 9.483 1.033 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 -7.001 4.362 1.535 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 9.457 -13.860 -2.123 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 12.648 7.393 -4.979 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 -3.242 -0.253 -1.742 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 -7.962 3.433 9.240 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 -0.045 -6.924 -3.246 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 -0.312 -2.686 7.116 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 23.480 -13.104 -6.604 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 10.409 -7.312 -8.481 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 0.324 -0.311 -2.982 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 15.768 18.613 -18.913 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 19.884 -3.641 -0.090 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 -5.790 6.117 4.168 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 2.061 9.916 13.703 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 0.226 9.105 -0.422 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 3.570 0.026 0.548 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 -3.019 3.751 8.240 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 -4.289 2.907 1.288 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 -5.928 -1.911 2.346 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 -3.503 -10.409 -7.610 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 0.289 -5.561 13.144 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 3.015 -2.263 -0.290 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 -16.062 43.316 -3.099 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 -1.792 -0.670 -1.522 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 3.427 -3.797 -2.458 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 -8.243 -12.023 -6.626 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 12.424 14.466 2.483 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 -4.163 7.022 5.002 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 -8.785 7.819 9.521 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 1.941 21.991 -22.138 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 -3.152 -0.133 2.692 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 2.448 0.402 3.140 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 1.819 -3.718 2.662 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 5.991 -5.377 1.615 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 0.744 -1.962 -2.287 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 1.537 -1.654 -2.737 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 3.095 7.089 -2.751 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 -2.780 8.238 33.927 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 12.952 2.652 -10.943 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 -4.090 0.272 2.697 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 -3.570 0.385 -7.563 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 -8.002 -8.968 -7.171 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 0.316 -0.905 -0.287 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 15.792 1.236 -3.113 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 2.945 -7.400 2.229 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 -5.481 -3.648 0.969 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 -3.756 4.878 -2.713 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 11.153 -1.130 22.470 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 3.339 -7.491 1.140 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 -10.355 -5.792 -3.344 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 -4.647 2.013 17.724 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 -1.637 0.207 -2.718 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 -3.749 -0.451 -0.971 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 30.197 7.038 11.524 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 0.447 3.068 -6.906 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 5.289 -2.139 2.582 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 6.181 -3.164 4.837 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 -1.159 -2.837 -0.543 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 -17.023 -5.810 18.696 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 -2.937 4.103 7.426 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 4.554 4.509 -0.002 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 6.685 -3.062 -1.839 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 8.462 5.222 14.305 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 -5.553 -0.319 5.146 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 -8.173 -5.038 16.028 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 -1.224 5.915 6.565 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 -1.851 -6.821 5.271 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 1.773 9.514 13.792 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 -12.884 5.279 4.307 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 4.274 -4.862 -2.575 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 7.735 3.020 -12.079 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 7.821 6.700 -8.838 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 2.640 -1.863 -0.212 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 4.064 0.787 0.576 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 3.512 1.556 -0.278 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 -0.834 2.104 -0.193 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 10.707 6.156 6.314 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 -8.520 -18.132 12.909 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 -3.826 -5.040 -1.593 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 -13.366 11.544 -31.804 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 -6.046 1.075 -11.793 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 8.139 -1.498 0.761 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 5.965 -0.403 15.572 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 16.599 3.871 -13.288 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 2.018 1.222 2.787 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 -3.670 2.332 16.810 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 -9.094 7.588 5.957 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 -8.828 1.341 -0.536 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 -4.036 -1.945 6.604 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 -1.019 1.213 1.655 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 7.780 0.287 0.010 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 17.397 6.848 6.420 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 18.920 -6.336 10.171 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 -6.875 0.113 -0.889 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 -13.056 7.392 10.987 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 18.917 18.023 -10.640 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 0.682 -8.657 0.288 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 -5.650 -12.471 32.677 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 -27.795 -35.709 18.734 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 2.042 2.122 0.017 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 4.682 0.661 4.949 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 6.240 0.303 7.293 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 2.986 0.517 2.867 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 20.761 -4.275 -12.315 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 9.246 -13.034 -10.260 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 -6.005 -0.010 -2.398 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 -4.720 2.419 3.511 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 -0.599 -2.915 -0.180 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 -1.158 -3.519 -5.195 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 -3.172 -3.925 -2.294 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 -5.638 -3.128 -4.417 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 0.265 -3.432 3.087 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 10.037 12.079 0.927 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 -5.250 -1.187 -2.632 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 -4.891 7.301 2.156 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 -17.795 -0.167 0.978 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 2.410 -4.609 11.032 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 -4.228 1.422 0.168 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 3.531 30.600 -20.120 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 -16.529 0.650 -3.308 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 -3.994 0.501 4.507 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 -6.881 -2.460 8.408 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 -4.116 1.840 5.390 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 4.768 -1.180 1.621 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 3.166 13.942 12.009 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 -26.446 10.438 -2.544 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 -1.376 1.374 -3.782 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 7.139 -1.723 -12.088 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 1.617 1.530 -9.906 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 3.041 1.002 0.244 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 -4.172 10.321 -9.520 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 -16.013 11.853 0.352 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 -0.817 2.966 -2.548 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 -8.613 -5.713 -7.178 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 -8.123 14.283 -3.052 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 -0.383 5.294 -0.968 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 -21.982 6.516 1.315 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 -1.490 8.052 5.810 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 -3.916 -1.138 0.234 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 -7.268 7.298 -2.938 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 -12.618 -1.522 6.652 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 -0.702 5.604 1.569 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 2.291 6.164 -0.595 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 10.291 22.555 -1.442 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 -4.391 -0.738 -0.581 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 -2.355 0.648 5.103 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 -4.239 21.458 -6.295 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 2.730 0.771 3.367 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 -10.842 -12.279 8.583 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 1.440 0.587 -18.334 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 -3.360 -0.582 0.498 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 5.305 5.522 2.354 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 -4.597 -3.274 6.285 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 0.957 -7.847 8.060 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 22.751 11.284 -14.567 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 2.541 -6.307 6.207 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 -1.906 -2.244 1.302 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 18.279 -18.034 4.414 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 -18.274 25.420 1.568 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 -1.793 1.660 -7.375 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 -0.233 3.751 -5.199 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 -0.056 8.023 -17.564 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 -1.609 -3.642 -1.105 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 -1.189 -2.686 -0.706 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 18.000 -13.897 29.380 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 -6.521 -7.927 1.172 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 -22.797 -5.086 -3.955 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 -11.528 -6.199 0.468 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 1.154 5.596 2.781 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 -45.456 -0.179 -6.873 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 19.160 5.662 -17.137 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 -0.812 -7.473 3.849 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 5.286 -8.352 -3.337 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 7.945 -2.894 0.467 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 -0.668 0.400 5.660 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 6.778 -20.573 11.371 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 3.914 7.493 -15.170 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 -0.108 0.857 0.398 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 -10.827 2.970 2.261 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 -3.801 -1.544 -0.062 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 3.406 1.878 4.316 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 -7.202 13.897 -3.619 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 5.576 6.446 -28.231 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 2.263 4.613 -6.213 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 2.711 24.074 5.331 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 -8.943 23.032 15.111 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 -1.531 3.632 0.680 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 2.747 3.898 1.343 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 -1.259 0.879 -1.997 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 5.731 -6.113 -1.928 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 -3.870 -9.980 -8.724 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 15.825 -15.928 -6.256 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 6.716 6.316 -7.498 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 8.562 24.397 0.175 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 -4.710 2.322 -1.819 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 3.349 0.376 4.983 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 8.009 -5.647 -11.135 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 -11.430 -9.001 8.718 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 2.444 7.327 1.537 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 7.884 2.239 6.366 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 -12.689 8.060 -0.398 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 5.359 -3.269 0.954 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 -24.553 -20.071 -4.841 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 19.954 6.712 2.270 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 4.213 -1.111 4.250 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 29.830 -20.933 25.231 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 7.924 -3.921 6.643 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 -3.927 -0.414 -0.167 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 0.955 7.398 4.287 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 -10.247 -13.152 -6.876 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 0.837 -0.789 0.190 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 3.506 -0.151 -3.734 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 -8.629 -10.640 21.161 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 -1.021 -5.324 -5.022 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 -10.304 -5.361 7.037 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 1.509 7.239 -6.363 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 2.239 -0.797 -1.534 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 -2.944 -1.067 -8.983 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 -3.807 -5.421 22.142 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 -4.102 3.495 -5.008 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 0.491 2.428 3.694 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 -15.529 11.011 1.689 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 -1.380 2.477 -2.860 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 13.429 4.406 18.695 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 -8.441 9.228 7.758 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 -9.726 6.551 2.330 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 -4.747 17.176 4.602 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 -9.456 -6.464 2.758 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 -0.550 6.890 -4.312 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 -3.669 9.858 -7.943 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 -1.413 4.992 -4.281 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 0.585 6.430 -1.549 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 14.292 0.642 -7.372 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 23.733 -3.258 -16.266 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 -1.462 -6.338 3.540 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 -9.777 7.601 0.259 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 -16.282 14.550 -2.413 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 -4.833 3.986 -1.599 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 1.799 13.164 2.225 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 -17.858 -14.469 -8.124 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 6.355 -3.865 -0.345 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 11.148 -20.694 -13.319 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 11.815 -3.762 -18.388 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 -0.672 0.579 4.496 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 15.957 -10.905 4.545 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 -6.672 8.045 -14.360 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 -3.847 -4.162 0.089 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 6.284 -16.985 8.343 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 3.196 -13.747 5.389 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 4.764 5.824 -1.867 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 -15.411 -12.744 -19.086 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 11.686 7.283 -1.053 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 -0.288 1.004 -1.454 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 -5.985 -3.822 10.897 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 1.440 -5.002 6.159 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 -2.589 5.491 -1.828 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 1.305 3.189 -22.785 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 -5.646 1.184 13.268 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 2.984 -5.890 0.199 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 -14.545 7.063 10.146 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 -13.975 7.077 10.067 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 -2.730 -6.065 -2.743 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 -2.749 -3.446 -2.503 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 -2.935 2.125 -7.761 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 -2.611 5.459 -4.723 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 -2.055 4.390 0.949 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 2.649 1.306 -9.389 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 2.102 -1.665 1.218 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 -8.357 -4.710 8.099 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 11.186 -9.276 -0.266 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 -1.421 3.441 -1.196 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 -5.414 9.267 -4.482 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 -4.222 -4.103 4.359 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 -4.390 2.848 -3.806 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 -9.209 17.049 3.082 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 15.580 13.670 -1.736 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 2.701 -3.017 0.900 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 1.018 1.563 3.234 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 -6.648 -3.181 -2.044 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 -1.156 -1.558 -7.947 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 -4.636 -7.671 -30.475 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 -11.308 -7.015 6.696 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 -2.054 3.898 2.974 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 8.397 1.192 8.893 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 7.583 3.450 2.830 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 3.558 7.400 0.768 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 6.600 6.409 1.876 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 -0.046 2.589 5.077 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 -2.336 -3.968 -4.522 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 -2.224 7.087 -12.238 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 -0.192 -0.488 1.988 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 -3.213 0.410 0.780 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 -17.479 -23.700 -9.381 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 3.963 -41.487 0.960 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 -2.287 1.106 0.055 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 -8.552 -9.859 -2.533 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 -4.239 2.654 -1.451 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 1.831 -9.241 -0.217 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 2.496 5.969 11.126 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 2.010 -18.663 13.408 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 1.341 10.428 4.896 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 15.701 6.165 16.717 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 -11.582 8.649 1.474 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 -3.096 3.222 -2.413 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 -15.979 3.961 -21.704 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 -16.310 5.211 21.271 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 4.762 1.789 -3.673 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 -3.790 -15.278 -17.013 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 18.350 29.340 -12.728 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 -2.568 0.072 -3.898 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 -1.242 -11.775 -1.901 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 -15.307 0.017 -2.787 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 -0.906 0.658 -4.425 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 6.429 9.965 26.661 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 5.778 0.355 9.022 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 6.389 -3.379 -0.361 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 -18.825 12.665 -7.814 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 15.664 -3.581 11.726 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 6.058 -0.050 0.026 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 7.794 -13.636 -0.196 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 -4.521 26.115 3.434 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 -1.127 0.270 -9.096 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 -11.765 0.396 -5.336 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 6.090 -19.449 -9.255 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 2.242 2.132 -0.631 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 4.609 3.648 -13.743 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 4.410 5.077 13.229 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 -2.894 -2.120 -1.553 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 0.916 -19.725 2.347 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 -6.416 2.029 -4.526 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 6.616 -1.861 0.550 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 -13.719 2.025 4.542 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 -5.485 1.843 3.542 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 2.702 -2.635 3.179 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 -5.299 20.767 21.385 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 -0.986 -18.358 11.451 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 1.422 -5.928 4.499 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 -30.189 -3.011 -9.359 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 -4.839 8.460 -1.311 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 3.105 0.180 3.263 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 -1.191 -12.214 21.479 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 -26.776 4.396 9.645 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 1.673 1.261 -0.746 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 -9.314 -4.013 2.324 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 8.238 -0.788 8.894 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 -2.092 -4.685 -1.778 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 -4.416 -7.506 -16.832 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 5.890 4.991 -24.396 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 -1.570 -6.087 -0.587 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 3.773 -3.267 -5.968 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 -4.815 1.528 2.981 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 1.321 4.957 4.168 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 5.002 -15.819 12.883 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 -2.980 6.441 -9.383 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 0.912 -3.390 1.267 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 18.547 8.853 23.744 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 -9.016 7.786 -31.978 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 -2.596 -4.191 3.556 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 -8.064 2.076 1.817 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 -12.189 -12.522 -10.746 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 0.140 -0.744 -1.123 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 -3.180 -8.002 -0.080 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 -7.538 3.092 -2.045 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 1.684 -3.321 -0.106 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 -5.293 -12.564 6.255 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 11.988 -2.841 -3.505 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 1.437 -0.796 1.894 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 -4.157 1.954 -10.163 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 6.891 0.941 0.173 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 -5.909 -3.791 1.642 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 25.064 3.893 -2.866 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 -30.628 -8.881 7.767 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 1.007 -1.626 2.009 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 9.502 -12.407 8.383 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 4.814 10.193 13.821 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 2.055 1.131 3.906 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 16.448 -8.728 4.590 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 -6.909 -7.327 8.207 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 1.037 -6.889 5.112 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 -5.534 -17.688 7.035 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 -1.108 -9.740 5.639 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 -2.199 1.299 -0.768 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 -6.659 5.295 14.601 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 -3.961 16.817 39.269 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 2.145 4.343 6.483 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 -7.356 30.069 -12.166 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 3.217 2.968 8.784 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 4.672 -1.880 4.945 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 -11.137 -6.810 3.952 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 17.176 -17.157 -3.482 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 1.997 1.809 1.790 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 -3.066 9.453 -3.055 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 7.095 -6.422 8.182 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 -2.564 3.187 6.193 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 -1.019 2.109 -28.268 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 -4.301 -1.253 -11.868 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 -1.388 -2.394 -2.703 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 0.014 -5.653 -16.114 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 0.388 -10.971 -25.835 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 -4.889 -5.177 0.706 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 -1.538 0.806 1.867 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 2.455 8.647 2.981 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 6.973 -6.364 -2.969 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 24.060 -19.013 -2.934 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 3.588 -2.090 4.158 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 -2.131 -5.204 -3.049 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 5.149 -3.921 17.995 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 1.778 28.742 27.822 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 -6.488 3.882 3.217 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 8.325 -1.985 0.309 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 -2.651 -5.368 4.602 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 -0.054 7.403 2.919 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 -5.784 -1.968 4.052 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 2.721 12.093 -4.254 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 -5.324 2.090 3.587 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 -30.657 1.057 -4.606 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 -1.933 -20.749 -21.879 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 -6.251 -4.793 1.017 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 -6.682 -1.421 -15.538 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 6.392 -1.003 7.075 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 -0.458 7.389 0.636 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 5.103 13.272 -1.723 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 3.470 11.322 7.537 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 5.711 3.452 2.177 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 1.998 16.503 -2.303 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 23.262 8.679 -3.819 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 -2.126 2.075 4.524 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 -2.057 -15.023 15.934 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 -0.926 28.777 -14.185 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 -3.882 0.868 0.546 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 -13.733 1.425 5.884 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 3.816 15.124 -22.965 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 0.604 -2.039 1.986 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 2.120 11.933 0.971 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 -17.145 1.962 -10.686 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 -1.375 3.582 -5.991 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 23.136 2.148 22.650 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 -4.436 -4.162 -21.521 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 -0.432 -8.879 0.051 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 16.678 -14.723 7.300 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 4.555 4.342 20.575 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 0.515 5.106 -4.266 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 -18.575 11.921 -12.625 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 2.854 -13.682 8.861 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 0.733 -2.527 2.370 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 -5.792 3.892 1.336 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 2.414 -9.894 -8.232 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 4.038 5.373 -3.561 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 4.403 3.507 9.720 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 -18.792 1.181 -11.134 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 -6.146 7.238 -2.991 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 -25.783 8.029 -26.867 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 3.890 9.773 7.640 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 -3.041 0.670 -10.222 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 22.981 26.325 -5.842 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 -27.821 3.323 -31.874 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 -5.688 1.189 1.004 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 -0.157 1.913 -5.029 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 -5.268 -0.818 -0.727 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 5.107 -4.111 -6.521 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 6.462 -2.018 -8.865 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 6.708 -8.218 -2.968 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 -0.047 -2.985 -1.371 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 6.528 9.413 -18.420 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 -21.440 5.631 0.345 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 -0.159 -2.185 2.121 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 5.276 7.735 4.115 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 1.123 -5.615 -3.785 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 5.850 0.060 3.279 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 1.921 14.320 -13.518 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 8.982 -6.283 10.926 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 2.499 10.815 2.767 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 5.889 16.914 6.211 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 1.131 -3.142 2.018 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 -1.422 1.239 7.644 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 5.130 5.597 -4.235 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 12.408 14.320 2.590 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 -1.308 -0.557 4.722 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 8.884 -4.871 1.773 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 8.566 2.832 0.769 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 4.648 -7.131 -0.372 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 11.270 -22.076 -3.522 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 -10.767 -8.071 12.704 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 -3.157 -5.015 -5.741 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 -1.535 -6.821 -2.438 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 -4.469 -2.032 -12.226 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 -4.449 1.531 3.959 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 -14.784 -20.128 0.348 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 -23.085 15.747 10.487 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 -2.226 0.240 -8.227 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 10.410 13.956 -6.219 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 -7.340 12.380 -10.134 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 -4.112 -2.420 0.018 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 -3.812 -1.573 -1.500 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 -6.701 -6.393 2.827 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 8.178 6.136 2.776 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 16.167 -13.360 -26.943 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 -19.324 6.528 3.225 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 1.004 2.789 -3.394 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 15.032 -4.460 1.284 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 -24.960 20.449 -9.783 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 -1.893 -1.852 -3.062 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 2.879 -0.364 -1.437 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 4.193 15.812 -3.652 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 -6.426 -1.973 -4.913 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 3.788 3.697 -1.654 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 0.424 1.979 -15.920 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 3.408 6.741 -0.056 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 4.241 10.275 -2.764 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 14.496 23.324 -7.996 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 0.064 6.282 2.649 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 1.204 3.464 6.927 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 3.301 1.659 4.910 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 -5.952 4.345 5.424 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 2.795 -3.090 -6.667 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 -5.724 3.850 4.652 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 1.402 2.246 -2.884 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 -10.803 19.843 -6.424 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 1.221 -16.112 -4.175 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 -4.581 0.314 2.748 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 -9.958 -0.174 0.236 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 -1.824 -2.753 8.133 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 -1.576 0.322 0.931 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 -2.695 3.284 7.192 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 -2.491 3.723 -10.257 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 4.459 3.095 6.036 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 0.313 -7.250 -7.173 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 16.445 -4.276 2.526 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 2.358 7.359 3.257 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 1.266 -6.515 16.276 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 -2.293 4.935 6.039 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 0.081 8.894 -1.755 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 -29.799 22.832 11.962 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 30.803 -1.739 -9.716 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 9.372 1.499 4.843 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 2.210 2.806 2.321 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 0.916 1.865 2.615 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 -2.782 -0.027 0.553 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 6.906 5.593 2.444 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 -10.712 7.135 3.527 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 -1.914 -3.484 -0.189 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 -6.392 -9.713 10.492 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 5.030 8.208 4.788 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 1.397 5.202 1.249 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 -8.510 5.575 -1.195 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 6.130 -18.027 2.248 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 4.510 -2.676 0.357 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 -2.731 15.339 20.818 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 -22.018 -3.616 1.404 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 -3.202 -1.362 3.716 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 -1.333 -13.686 -3.672 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 9.082 3.471 0.949 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 2.127 1.219 -3.300 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 -0.397 17.946 14.338 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 -1.293 16.787 23.500 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 3.039 1.612 1.498 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 0.400 0.188 2.353 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 12.647 6.797 -2.228 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 4.003 1.215 2.382 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 -22.741 -9.317 5.734 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 -1.350 22.322 -22.849 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 -6.509 2.301 3.101 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 5.784 6.153 -1.921 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 -12.581 2.350 5.569 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 -3.297 -4.481 -2.448 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 2.037 2.093 0.237 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 -8.158 8.642 4.860 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 -4.993 0.056 3.884 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 -3.750 2.091 1.867 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 20.798 -23.862 -21.470 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 0.983 4.557 -7.944 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 -7.883 -15.091 -22.488 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 1.376 25.043 -6.476 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 5.034 -4.419 -2.577 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 -25.513 25.672 3.712 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 3.591 14.621 1.014 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 -3.553 4.659 -2.928 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 -24.921 11.335 6.863 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 -1.691 -0.794 -15.075 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 0.228 -1.556 -1.247 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 1.383 10.246 7.871 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 -3.268 -19.938 -17.388 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 -1.003 -2.063 5.227 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 5.853 24.499 -12.678 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 19.154 37.912 11.394 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 2.301 -2.993 -0.118 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 -3.611 -6.679 1.524 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 1.113 1.119 -5.549 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 -1.712 -0.582 -3.842 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 -13.902 -5.418 -17.768 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 -9.664 -10.315 5.589 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 3.275 -1.957 -7.291 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 27.045 -0.045 -2.554 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 -5.442 -14.472 11.618 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 -4.819 3.359 -5.026 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 -8.960 3.139 0.971 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 7.034 -0.552 12.983 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 -6.141 -1.722 -2.009 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 -21.972 -22.810 -37.944 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 -4.152 -13.715 -22.026 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 2.834 0.639 -5.059 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 -10.451 16.273 0.483 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 3.369 -0.199 -3.959 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 -2.819 -3.579 -6.081 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 -6.354 -2.720 -6.441 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 -9.936 1.084 -10.857 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 1.758 -1.591 -2.919 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 -9.280 17.952 27.884 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 -5.722 -17.066 -15.771 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 -0.046 -2.947 -7.534 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 -12.504 -16.965 -7.496 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 11.014 9.471 -7.245 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 -7.353 3.753 3.072 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 19.011 -4.355 12.497 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 13.692 -3.711 25.303 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 6.121 -2.463 2.450 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 9.544 -5.702 13.622 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 7.079 0.625 -7.274 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 3.172 -0.057 1.895 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 -11.962 -4.944 22.131 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 21.995 6.661 -22.237 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 4.168 -8.060 3.104 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 9.571 -22.709 11.575 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 -5.870 -31.546 17.940 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 10.542 -1.173 -5.168 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 -2.861 7.275 0.466 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 -0.813 -7.509 3.254 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 -2.597 1.073 -4.158 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 20.771 -3.913 17.290 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 -36.084 24.338 -15.318 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 -3.309 -5.472 -5.251 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 7.614 9.206 3.040 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 -3.966 -8.521 -3.594 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 2.480 1.884 -2.155 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 1.320 7.696 -27.534 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 7.929 -25.922 8.902 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 -1.053 3.624 -3.043 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 2.082 0.142 19.968 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 8.681 9.849 14.573 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 10.655 3.652 0.949 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 13.664 17.819 -7.497 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 -6.822 -8.375 1.797 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 6.881 -5.704 -1.686 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 27.121 3.817 -2.597 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 -4.843 11.660 4.301 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 -1.957 -5.257 -3.061 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 8.250 6.784 -6.042 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 -3.700 -6.165 15.553 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 2.879 0.056 0.685 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 13.428 -1.947 11.322 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 -1.811 2.304 -5.664 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 3.079 1.942 1.398 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 -22.054 -0.887 -10.231 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 24.713 -1.549 7.887 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 5.915 -4.381 -2.069 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 11.027 -20.477 -0.714 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 -3.493 3.677 -12.433 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 -1.000 7.639 0.011 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 13.410 8.760 -5.996 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 -17.195 19.831 -14.347 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 6.317 2.273 -5.419 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 -0.546 -11.253 -7.596 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 -2.281 -16.688 -2.783 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 -2.206 3.553 3.938 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 -17.611 10.134 -5.864 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 2.305 -5.538 5.006 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 -4.412 3.104 -0.196 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 -12.976 -7.589 4.139 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 -13.379 13.253 -3.032 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 4.614 -3.389 -5.170 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 25.195 6.850 -7.712 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 0.463 -5.648 -7.906 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 1.429 -3.028 -6.331 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 3.629 20.562 -2.499 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 4.652 -9.619 -3.789 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 0.745 4.735 -5.874 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 10.758 1.996 11.099 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 -18.940 9.688 -9.809 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 -0.389 -6.441 -2.395 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 21.493 -10.346 -22.481 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 3.653 24.536 6.249 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 -0.914 6.031 2.021 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 12.559 -0.846 -0.417 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 -0.358 5.141 2.230 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 2.678 -0.883 1.086 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 -15.595 3.249 -0.311 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 -4.748 -6.688 5.040 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 -2.576 3.172 -0.492 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 3.473 9.661 9.529 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 -0.237 -7.312 -7.844 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 1.280 -1.145 0.572 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 7.787 -5.835 -7.769 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 -23.919 -1.860 5.858 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 0.184 3.909 3.746 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 11.834 20.745 -4.693 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 -2.460 9.953 2.887 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 -0.069 -6.076 -1.674 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 -9.303 5.922 8.365 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 -2.486 -16.987 -13.332 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 -5.129 4.505 -5.378 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 -4.155 2.908 -1.010 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 11.041 -0.639 31.044 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 4.694 1.181 -3.080 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 -5.842 -0.889 -14.154 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 -3.307 1.278 -12.970 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 -5.764 -2.377 -2.930 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 -2.918 -6.609 -3.215 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 -3.909 -5.440 -4.596 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 -5.147 0.303 5.186 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 -10.783 22.969 7.586 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 -25.212 -8.954 -1.131 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 4.057 2.460 -4.213 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 -4.390 -4.722 -5.705 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 -2.084 -2.338 -21.932 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 -3.092 3.379 -2.845 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 -8.792 -1.680 8.687 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 8.787 3.345 -20.575 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 11.358 3.938 -0.896 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 6.774 -2.112 -4.777 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 23.250 14.984 -0.340 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 -4.479 -3.437 -1.759 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 -3.184 1.303 1.781 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 -0.143 2.192 -0.137 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 6.105 -0.260 -7.969 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 23.747 -3.457 12.577 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 2.036 -3.790 -22.004 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 -0.916 1.334 -0.289 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 -2.813 -17.571 -3.188 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 -9.433 6.143 15.971 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 1.757 0.595 -0.722 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 8.541 -12.056 -25.233 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 12.798 -13.545 -5.936 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 -5.970 -3.435 -4.725 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 -4.269 0.080 -7.215 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 -0.188 9.272 -11.749 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 0.425 -0.468 -3.101 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 2.814 -2.471 -19.690 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 -2.481 3.598 -1.578 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 0.489 -10.507 -0.552 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 -21.558 -5.344 28.180 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 0.612 -10.192 0.515 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 0.502 -1.466 -4.480 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 19.047 1.921 11.492 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 -10.196 10.348 4.072 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 1.151 -3.370 2.461 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 -0.592 -3.413 -14.415 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 -2.368 -3.787 23.829 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 -8.063 4.947 -0.553 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 -8.778 -2.768 16.826 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 -14.805 -5.035 -10.594 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 6.974 5.062 1.358 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 -1.913 0.540 -27.893 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 16.095 1.004 10.020 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 6.478 2.398 4.665 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 0.931 -17.129 32.055 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 -5.520 12.295 1.776 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 -3.679 0.627 -1.030 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 -10.157 7.962 -16.102 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 -7.128 8.883 21.659 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 -2.512 -0.594 -1.153 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 -7.695 -3.029 1.771 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 -3.305 -33.266 -11.264 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 -1.019 4.422 3.279 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 1.345 13.110 9.472 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 -11.969 -10.418 7.372 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 -7.172 3.472 6.744 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 -10.159 2.144 -8.603 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 -3.215 25.342 -15.695 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 1.702 -3.361 -6.938 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 7.739 3.062 -15.818 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 4.716 0.359 2.512 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 3.949 -6.218 4.238 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 -3.547 8.757 -12.179 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 -15.325 -8.138 -1.590 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 -2.906 4.355 3.034 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 14.081 -8.227 -3.206 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 -10.124 13.779 -16.087 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 -6.061 1.132 7.891 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 16.188 -6.029 11.741 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 9.476 -9.141 -1.945 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 3.117 -0.413 7.376 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 -8.379 18.970 -21.849 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 -15.815 22.187 5.251 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 4.103 0.084 4.200 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 24.601 -22.478 -6.809 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 -21.396 -16.840 12.402 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 -3.153 -0.449 -0.895 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 -4.554 -1.246 5.486 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 11.835 17.383 0.180 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 4.009 -4.182 -0.765 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 7.090 2.510 -2.234 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 -3.072 -3.535 -1.350 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 5.286 -0.558 1.641 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 36.573 1.547 13.367 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 -1.919 13.260 -12.429 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 -2.698 2.072 4.561 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 -3.067 15.269 12.736 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 0.738 11.735 2.357 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 6.784 -1.809 2.999 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 9.129 -0.852 -9.708 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 4.131 5.586 7.521 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 -6.354 -1.668 -1.579 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 -21.186 6.810 7.474 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 9.571 5.512 11.626 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 -5.103 0.959 3.691 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 -14.877 -25.642 20.750 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 -9.789 18.502 -10.425 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 5.303 1.768 0.197 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 14.418 7.128 -10.581 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 7.378 -5.595 -15.412 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 3.234 7.872 -2.005 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 3.691 18.602 -6.570 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 -1.281 10.508 9.960 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 -4.989 4.884 2.155 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 -2.094 -1.819 8.062 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 1.887 -3.728 -0.943 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 4.328 -1.645 3.977 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 13.593 14.556 -13.291 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 0.727 -7.846 8.874 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 -1.502 0.782 -1.416 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 -14.054 0.792 0.231 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 0.877 -8.919 -5.706 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 1.752 -5.283 -4.099 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 9.263 -9.455 -5.935 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 3.903 0.911 1.039 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 -3.360 2.091 0.875 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 -34.740 -2.126 21.297 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 22.063 -7.900 -9.457 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 -5.046 2.424 5.741 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 -20.682 -4.530 5.299 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 -2.293 -0.336 -22.003 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 -6.461 -3.470 0.967 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 -10.988 8.567 -0.356 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 4.961 -10.063 -1.248 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 -5.052 -0.204 -1.812 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 -7.378 1.213 -1.316 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 -1.364 -4.941 -5.358 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 1.334 -3.485 -5.799 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 2.993 -4.964 -1.262 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 0.610 -4.414 5.450 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 -0.400 0.481 0.691 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 -14.825 6.821 -11.138 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 10.306 6.958 14.120 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 -0.267 2.527 -1.746 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 -6.185 -8.519 -0.294 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 6.339 -8.954 -26.721 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 -0.972 1.302 -4.518 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 15.381 8.494 -13.874 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 -10.322 -6.915 3.704 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 -2.875 4.822 -1.081 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 -6.484 -1.403 3.295 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 -5.381 3.832 10.366 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 6.489 -2.067 -5.164 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 6.514 22.775 34.848 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 -15.805 -3.868 -0.271 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 1.856 1.996 -0.814 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 3.515 -23.923 2.129 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 -2.389 5.490 16.331 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 0.744 2.877 7.256 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 -3.523 0.676 10.132 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 3.954 5.603 4.737 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 -5.018 -4.461 3.932 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 -13.414 38.253 21.356 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 11.562 -3.354 -26.073 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 4.388 -2.408 -3.151 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 0.756 -10.888 8.652 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 22.861 -2.097 -4.513 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 -1.362 3.710 -11.532 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 11.253 3.890 -26.265 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 -11.154 -15.686 -8.217 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 -3.580 1.990 -2.155 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 -13.032 6.923 1.531 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 -1.300 1.849 -0.671 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 5.661 -3.967 1.552 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 7.630 -2.349 -2.989 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 8.385 0.128 -0.520 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 0.259 1.462 3.496 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 -2.258 2.549 19.941 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 -6.385 -19.336 19.487 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 3.208 -1.116 -0.497 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 0.135 -2.873 5.264 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 -3.882 19.767 -17.737 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 -8.775 0.296 -4.562 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 21.107 -4.804 -1.064 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 9.369 -26.957 -9.365 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 5.301 2.530 -4.146 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 -2.184 13.656 -15.207 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 0.831 -6.662 -15.701 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 3.138 2.817 -7.878 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 1.891 6.816 -2.877 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 6.932 -10.463 -9.359 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 1.644 5.729 -0.077 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 -0.918 2.585 -2.628 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 5.291 2.932 2.094 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 2.734 4.408 0.974 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 -23.250 8.522 1.049 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 -7.320 -3.170 -16.998 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 3.994 -2.337 2.933 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 -3.142 -15.865 7.640 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 6.513 -25.989 -30.251 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 2.745 -1.284 6.103 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 -1.297 19.391 -5.006 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 -8.068 16.782 9.455 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 -7.135 3.165 0.238 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 16.622 -5.208 8.850 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 -0.537 -13.893 4.114 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 0.034 8.328 -4.213 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 -12.521 -2.003 -3.535 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 -10.658 6.907 -3.717 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 0.547 -3.621 -3.116 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 5.735 -2.865 -11.800 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 17.670 -7.600 1.934 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 7.467 -1.533 -6.063 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 -0.078 11.167 -1.795 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 3.600 -4.372 -16.838 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 5.764 6.801 -1.138 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 19.883 -11.544 19.685 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 8.912 16.520 -2.474 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 1.811 -5.420 -0.312 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 10.063 1.061 -0.355 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 18.112 -14.538 -12.008 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 1.695 0.703 -0.352 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 7.502 4.287 3.589 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 13.672 -14.395 -2.395 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 -1.684 0.130 -5.700 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 -2.924 4.110 2.859 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 1.064 3.384 -8.419 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 -1.252 3.868 -4.290 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 -15.486 -21.342 2.164 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 -18.074 2.968 -19.025 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 5.299 2.419 0.357 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 2.522 2.083 -2.165 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 9.226 -2.084 8.158 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 1.119 -3.907 -5.794 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 14.927 -1.126 -1.750 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 -1.328 7.216 -15.510 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 2.209 -0.677 -2.498 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 -4.128 1.970 2.617 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 16.277 1.473 -6.046 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 1.067 -3.391 0.530 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 -24.710 14.442 3.607 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 31.052 15.670 18.020 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 0.440 6.288 -0.849 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 9.948 0.188 9.026 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 13.381 14.629 -7.324 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 6.162 -5.929 -0.236 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 12.713 -13.987 5.460 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 7.132 5.003 1.672 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 6.596 -1.479 2.409 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 -12.764 10.241 8.899 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 -4.955 -6.407 -7.239 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 2.957 5.432 -1.031 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 7.284 5.986 -1.703 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 0.314 6.923 11.435 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 -5.871 1.429 1.744 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 -13.676 12.491 -1.236 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 -9.698 -10.493 6.928 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 -0.246 4.178 -3.865 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 3.950 -5.866 -2.861 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 -9.417 0.366 -8.395 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 6.575 3.164 -4.952 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 12.194 -6.984 0.446 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 6.666 12.969 11.605 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 -4.171 -1.403 -2.347 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 19.800 8.132 -7.334 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 -15.231 -2.628 14.623 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 0.889 0.197 -5.698 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 3.469 3.568 -5.084 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 11.148 8.640 -2.975 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 2.077 1.979 1.840 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 -16.509 12.360 11.470 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 24.582 1.195 5.487 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 -0.820 5.418 -0.497 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 3.946 17.869 -18.477 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 -17.284 7.893 -4.772 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 -4.812 0.642 4.364 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 2.854 9.593 3.012 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 21.580 20.391 -1.177 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 1.501 3.282 -2.319 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 1.686 14.960 2.647 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 -3.018 3.185 -12.506 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 -6.855 1.054 2.624 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 2.604 13.587 0.844 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 1.203 -4.747 -30.115 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 2.772 -2.054 2.610 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 -4.880 -3.241 -10.285 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 -0.550 -5.094 -2.010 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 1.388 2.077 1.648 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 -14.609 1.998 0.393 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 3.456 5.205 -0.375 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 1.275 -0.655 2.621 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 8.671 12.839 -5.071 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 15.234 3.324 -16.118 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 5.158 2.762 2.774 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 14.097 -4.439 11.654 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 6.449 -4.915 -11.545 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 1.403 -3.550 -0.267 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 5.070 -25.654 10.396 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 5.031 15.062 4.840 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 -0.156 -4.265 5.077 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 -10.932 14.201 -1.203 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 9.613 4.442 15.178 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 4.314 3.746 0.714 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 8.592 -7.105 5.584 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 5.943 11.491 -1.515 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 -1.250 -1.800 -3.420 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 -15.715 -12.046 6.802 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 18.279 -13.412 1.736 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 -3.421 -3.917 4.838 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 -7.099 5.996 1.973 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 -3.366 -1.987 12.847 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 -0.424 -0.305 -2.097 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 -3.986 6.460 3.358 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 -11.394 -5.613 16.550 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 5.419 -1.613 -2.328 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 -7.817 -14.492 -3.234 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 16.279 -1.363 14.138 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 -0.871 -0.373 6.106 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 -7.459 -3.479 2.686 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 -12.373 -7.339 -0.444 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 -0.730 0.998 5.993 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 15.254 -8.492 2.453 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 -2.857 -1.265 8.379 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 -2.106 -4.144 2.969 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 -10.179 -6.528 8.615 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 10.225 -14.701 -17.647 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 1.051 2.864 -3.024 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 -4.288 2.834 1.569 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 -0.954 -1.316 -8.030 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 1.409 -3.648 5.480 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 2.823 1.597 5.747 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 3.837 0.599 14.206 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 -0.335 -3.659 3.715 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 16.672 -21.991 8.180 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 -6.470 -13.164 0.586 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 3.388 -2.207 -6.066 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 -2.474 -6.066 21.011 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 7.198 -2.947 -7.057 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 -0.506 5.066 -7.117 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 20.608 6.276 -6.170 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 -6.676 -5.673 8.620 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 0.612 -2.637 0.214 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 17.453 -8.992 8.502 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 3.350 -4.140 -3.946 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 2.010 -2.409 -2.154 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 17.008 -2.185 -26.632 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 0.977 9.487 6.742 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 1.452 -3.882 3.736 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 -5.296 -5.901 6.792 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 1.389 -15.078 -2.851 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 -9.743 2.015 -3.279 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 -7.341 -5.819 25.673 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 -35.627 3.773 -10.543 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 0.481 5.481 -2.525 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 -2.684 4.011 -2.640 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 1.764 12.563 13.378 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 0.825 3.697 1.001 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 -2.377 7.945 6.221 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 -5.562 -13.752 4.166 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 -1.112 -0.765 -3.182 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 16.681 -0.494 -5.487 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 -3.460 -16.423 -10.680 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 0.255 1.181 -1.614 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 15.676 -1.376 -9.051 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 -5.307 3.356 10.120 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 4.533 -0.142 0.798 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 -11.818 -10.834 10.312 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 -9.226 6.288 -2.922 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 0.026 1.126 -3.660 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 1.577 -17.088 4.791 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 -16.554 -2.778 -10.437 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 1.675 -0.651 0.092 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 12.466 8.895 10.918 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 -4.956 -2.392 1.803 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 -2.018 -1.253 2.242 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 11.501 11.517 -12.136 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 -48.353 -12.522 21.195 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 1.833 4.611 -1.827 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 3.534 9.977 1.663 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 3.660 5.380 2.206 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 9.130 4.233 0.881 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 18.310 -8.759 -1.824 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 3.604 -15.258 -5.564 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 3.806 3.720 -2.612 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 6.948 6.317 0.558 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 3.223 1.841 -4.775 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 2.792 -3.120 -1.587 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 -8.587 -7.001 -0.812 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 1.650 7.900 -5.084 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 1.538 2.694 2.168 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 -16.804 -2.307 26.558 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 -8.239 12.124 -19.851 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 -4.606 5.470 3.461 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 8.612 2.711 15.731 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 -1.903 -6.173 -6.183 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 -3.440 0.911 0.241 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 -3.909 15.496 5.636 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 -4.999 -20.585 1.524 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 -3.732 -2.966 0.084 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 -9.486 0.581 -7.077 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 -4.171 -1.752 -1.173 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 2.676 -2.170 4.246 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 4.807 13.648 12.248 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 11.711 -10.717 7.243 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 -3.362 -0.220 -0.925 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 -3.517 -1.346 0.226 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 -4.056 3.043 -2.079 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 2.283 -0.057 2.139 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 2.497 11.062 20.959 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 16.496 -29.589 1.646 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 -1.224 -5.183 1.236 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 12.925 2.060 -0.675 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 0.152 19.807 -11.479 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 -5.151 -3.059 3.610 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 -3.674 -1.372 1.852 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 -3.090 -1.725 5.022 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 0.798 -9.310 -9.102 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 9.440 -12.779 -1.758 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 6.082 -7.344 -3.125 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 11.033 0.662 3.128 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 19.985 6.944 -5.680 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 7.044 4.853 -4.335 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 -2.779 -3.861 -2.572 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 -16.716 2.943 -13.617 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 -12.232 -3.387 -6.796 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 -3.403 0.361 -7.230 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 -2.682 -14.351 -21.625 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 -29.110 0.999 -23.548 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 0.347 -3.739 -1.133 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 19.470 -6.520 -14.110 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 31.636 -13.001 19.187 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 -1.966 0.844 7.786 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 0.044 10.340 -2.253 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 -6.115 -13.318 13.624 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 5.616 0.690 3.702 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 9.798 1.738 5.889 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 6.180 1.852 -1.767 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 2.691 3.257 0.361 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 -8.875 9.882 9.809 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 20.956 -2.237 -12.003 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 -3.460 -4.141 1.327 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 1.865 -11.717 17.700 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 0.155 -8.756 13.774 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 -5.198 -3.476 -0.181 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 -26.846 -10.011 16.205 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 3.357 -2.005 9.276 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 -5.995 -1.453 -7.062 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 -15.541 -11.444 -17.859 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 8.477 5.918 -2.204 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 -0.152 -0.553 -5.211 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 -4.775 3.508 -9.631 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 -1.245 -0.228 -4.610 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 -1.225 -3.262 0.085 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 2.498 8.173 -11.227 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 7.262 0.869 0.839 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 -0.290 1.650 3.837 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 -19.067 2.382 -5.311 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 10.042 45.142 -9.218 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 -1.055 -0.901 -0.551 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 15.856 -11.202 1.849 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 -15.570 -14.805 4.997 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 0.025 1.179 0.211 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 6.207 0.256 -12.314 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 0.676 0.595 -3.248 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 0.422 7.640 -2.635 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 6.628 6.966 -10.710 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 5.036 -2.011 5.416 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 -2.604 -0.320 -4.045 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 -12.496 -16.897 -6.159 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 5.506 -4.068 19.190 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 2.605 -2.038 -1.993 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 13.128 3.102 5.283 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 11.742 7.419 -2.388 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 2.817 -1.334 -2.475 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 -11.227 -17.829 14.225 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 17.671 16.401 -3.779 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 2.619 -2.737 1.814 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 -14.369 -9.175 25.191 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 4.479 -19.135 -4.011 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 -0.935 1.693 -1.603 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 -12.545 -13.294 -6.247 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 -5.379 -2.031 1.812 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 -1.344 0.892 1.901 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 14.115 30.401 -0.566 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 14.667 -4.264 2.488 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 -7.332 0.100 -6.368 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 -5.627 -4.083 -4.392 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 -5.803 6.977 -7.204 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 -2.991 -0.188 -3.310 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 4.185 -7.225 24.719 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 -16.540 12.564 9.356 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 5.633 4.940 0.191 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 4.125 24.956 -4.551 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 -7.525 -16.447 -2.963 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 3.315 3.920 -2.071 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 -6.889 4.505 6.830 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 5.207 12.155 -3.946 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 0.575 5.445 0.135 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 11.213 -0.988 -14.651 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 -14.451 13.062 -7.269 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 0.877 -4.977 -0.240 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 3.794 -13.754 -5.562 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 -3.290 -18.409 -0.651 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 8.781 1.778 -1.708 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 -5.223 12.308 14.264 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 15.164 -3.633 -7.375 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 1.519 -5.869 -0.790 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 11.908 2.312 0.990 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 16.356 -7.718 -26.151 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 0.760 2.864 -0.344 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 3.991 -3.333 3.474 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 -16.257 8.311 -11.002 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 -1.502 -0.749 4.928 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 -22.193 -21.302 -5.082 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 5.833 6.761 -2.575 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 4.397 0.189 0.669 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 8.543 -0.596 3.031 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 17.525 1.420 5.320 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 -2.031 -2.133 2.619 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 -10.432 -5.033 7.870 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 -28.512 3.654 24.158 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 0.149 1.024 2.143 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 13.782 -4.022 -0.694 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 6.769 -1.989 3.966 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 7.772 3.024 -4.921 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 13.654 0.338 4.974 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 5.556 -0.581 -18.593 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 -3.659 -4.322 0.709 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 -7.903 -3.884 -1.331 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 3.272 6.627 33.557 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 -4.811 -0.654 8.556 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 -3.929 0.173 8.593 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 -14.956 -12.572 2.233 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 -0.784 2.792 2.419 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 2.297 -6.737 22.183 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 1.126 -0.174 12.088 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 1.843 -3.620 5.730 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 -0.064 -3.918 5.593 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 -0.477 -5.960 0.967 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 -2.256 0.550 -5.052 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 -2.241 1.867 -5.927 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 -22.245 -29.091 -0.886 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 5.835 1.898 2.054 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 28.559 10.614 -12.653 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 3.918 7.887 5.255 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 1.379 2.030 -1.837 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 -7.055 -5.530 -23.711 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 6.806 4.780 8.706 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 -0.832 1.664 2.908 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 -0.921 -6.766 8.344 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 5.622 10.439 13.179 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 -2.176 3.835 -0.172 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 4.418 -0.646 29.374 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 3.641 -3.487 34.197 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 3.949 0.938 0.075 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 0.866 -0.649 -1.332 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 -24.381 -4.426 -22.700 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 2.866 -0.723 7.921 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 -1.196 14.748 0.552 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 3.480 9.785 19.594 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 0.803 -1.592 -3.824 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 -19.123 -2.380 -13.544 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 -4.042 3.172 8.823 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 -0.201 10.287 0.524 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 -6.992 4.407 13.354 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 3.651 10.728 -2.902 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 -1.936 2.597 -5.148 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 -5.798 5.185 -14.690 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 -0.209 1.702 0.860 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 4.219 -2.341 -1.633 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 7.730 1.984 -17.525 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 9.031 9.102 22.071 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 -2.466 3.018 -1.121 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 4.024 -4.011 23.448 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 34.921 -6.044 -32.383 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 -1.625 -3.544 -3.415 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 5.912 -0.519 18.790 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 -9.954 -2.757 -9.785 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 4.096 -3.392 -0.772 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 0.922 -9.728 -2.125 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 -3.062 -2.309 -1.329 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 -2.468 -8.878 -2.396 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 2.401 -7.295 -7.332 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 -3.662 -8.335 -3.265 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 0.913 6.029 2.815 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 9.788 20.889 16.663 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 -18.189 5.278 8.261 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 4.844 1.650 0.729 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 16.913 0.473 9.080 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 -0.941 3.761 0.015 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 0.311 -1.259 11.202 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 10.048 12.101 23.628 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 -25.900 -4.840 -35.913 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 -0.327 4.414 4.964 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 -37.193 -3.163 5.747 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 25.116 20.318 -15.637 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 0.948 -3.534 -5.512 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 0.103 12.481 -5.001 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 5.602 5.422 -1.061 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 3.950 -7.617 -7.613 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 4.714 -3.660 -6.231 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 -11.953 -0.119 1.738 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 3.895 2.019 -3.339 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 7.733 -3.679 -12.611 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 5.487 8.084 0.540 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 0.927 -2.188 -0.214 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 7.296 18.101 -2.073 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 0.754 -13.117 0.059 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 -1.033 -1.705 0.119 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 -10.485 0.565 7.574 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 -17.425 -12.246 -11.391 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 -3.325 -0.137 1.549 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 -3.897 5.322 -0.081 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 13.056 11.174 -7.071 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 -2.484 3.936 -1.838 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 -10.879 3.169 3.721 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 10.546 9.452 25.182 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 -3.946 2.413 -7.643 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 -17.397 2.096 -19.587 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 9.356 14.807 -17.528 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 2.924 -3.664 1.634 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 13.761 -10.255 2.556 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 24.334 2.803 15.638 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 -4.636 3.350 4.555 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 -2.181 19.210 -1.538 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 3.002 -21.171 2.162 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 8.086 2.816 -0.555 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 10.915 23.232 -15.456 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 -6.122 -4.892 10.761 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 -2.451 4.738 7.052 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 0.983 13.362 -4.323 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 8.027 11.352 17.697 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 3.588 -4.704 -3.716 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 5.275 0.126 -5.007 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 -1.468 8.581 1.826 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 -6.368 -0.406 -0.114 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 -0.974 -2.547 1.069 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 -4.071 -2.890 1.804 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 -6.768 -7.663 2.334 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 -13.079 -10.007 -6.270 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 -15.116 -2.495 -5.020 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 2.172 -5.069 -3.495 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 -10.644 -7.053 -13.614 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 7.873 -5.574 -2.397 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 2.477 4.354 2.798 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 -0.318 1.832 4.492 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 13.053 -2.580 -1.361 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 -4.300 -1.191 -1.103 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 -11.092 -4.535 -1.748 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 -11.596 -4.087 -2.666 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 1.463 3.972 -0.081 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 0.509 -9.065 -5.399 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 17.861 -7.442 7.060 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 -3.887 -1.883 -0.097 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 4.798 9.233 0.798 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 -9.214 8.151 -23.293 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 -6.511 6.791 5.107 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 8.137 -11.524 1.094 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 -27.771 -0.525 -5.094 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 -6.759 -0.354 -1.793 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 -5.744 -3.073 3.018 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 -29.094 -5.495 -21.869 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 5.524 8.106 1.675 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 -4.508 8.800 16.353 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 0.603 2.896 -3.991 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 3.401 0.157 -2.211 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 -17.488 15.881 -17.889 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 4.050 -10.464 1.238 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 1.174 -4.863 5.232 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 23.606 4.376 -19.244 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 -27.993 3.069 4.762 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 2.350 -5.583 0.721 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 2.988 -10.759 4.118 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 18.509 -8.827 -14.747 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 2.457 4.102 1.365 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 -11.159 -4.581 2.715 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 6.743 10.229 21.905 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 -0.324 0.456 1.622 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 12.966 -7.255 -11.872 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 -0.425 9.612 14.987 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 -3.932 -1.633 -0.015 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 -5.495 -1.306 7.760 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 -3.247 1.586 -8.840 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 9.918 2.186 -0.718 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 30.919 28.919 -12.225 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 23.216 6.518 4.883 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 -1.189 1.565 1.090 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 29.864 -13.381 17.177 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 21.218 -6.268 10.043 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 -4.798 0.049 -4.918 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 -9.683 -7.116 0.662 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 5.691 -1.559 -2.832 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 0.958 -0.685 -3.781 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 3.632 1.904 -15.062 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 -1.607 1.275 1.631 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 6.679 5.150 -6.369 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 17.007 -4.320 -15.219 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 14.632 18.703 -3.657 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 5.156 3.836 3.653 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 7.241 3.361 19.087 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 -2.001 10.790 -15.097 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 6.662 -1.816 0.135 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 8.156 -17.674 -1.474 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 -17.591 12.334 -15.802 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 -1.190 1.107 -1.350 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 -10.306 -7.153 15.894 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 -8.425 22.587 -16.370 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 2.188 0.495 -3.802 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 17.540 -5.409 3.929 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 4.163 17.430 -9.987 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 -0.223 2.442 -0.937 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 -4.790 2.435 0.220 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 0.200 6.651 1.557 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 5.938 1.512 -3.744 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 21.216 1.442 19.453 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 -1.785 2.293 -1.257 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 3.480 -0.574 2.097 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 19.899 -18.243 -22.808 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 -23.852 -18.525 -7.001 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 -0.615 -1.184 0.806 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 28.145 2.298 1.300 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 34.301 -1.676 -6.191 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 -6.829 7.914 7.920 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 -5.137 2.961 11.097 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 -4.440 -12.554 9.746 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 5.346 -5.348 -3.345 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 8.885 7.865 -11.728 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 6.312 8.557 -11.598 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 1.870 1.509 -5.270 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 -11.659 -2.678 -3.205 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 -13.255 -10.081 4.741 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 -4.727 4.280 -1.284 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 -4.759 -12.271 -7.427 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 -28.489 -0.051 -16.864 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 -1.717 -2.326 1.857 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 -13.666 -8.263 -9.107 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 8.241 -1.491 -1.390 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 2.130 -2.404 -1.474 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 15.739 -2.305 2.648 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 -3.053 -1.973 0.353 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 4.566 6.119 -5.728 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 -7.532 -3.106 -4.730 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 -2.657 0.665 7.846 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 -1.185 -0.011 -5.417 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 -10.351 10.508 -25.701 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 -7.162 6.894 -17.287 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 0.580 1.667 -2.385 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 -25.047 10.152 -6.821 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 6.196 2.132 -1.846 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 -1.691 1.205 0.412 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 -1.828 -25.619 -26.910 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 -1.333 -16.250 -16.932 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 2.701 0.019 -8.339 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 -3.364 -13.938 -7.871 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 10.008 -18.388 -13.241 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 -0.596 3.432 -5.004 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 -12.919 -4.389 13.262 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 16.099 13.334 -5.420 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 -4.109 -6.727 2.059 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 -5.274 -3.674 4.164 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 4.917 2.968 -1.919 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 -1.303 0.751 1.335 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 -0.636 -2.532 -15.047 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 -2.531 -9.410 4.726 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 3.488 -2.951 -1.288 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 5.841 -8.266 -1.221 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 8.345 -4.462 -5.721 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 -6.151 -5.239 -4.643 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 3.560 20.047 4.858 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 0.106 7.133 -0.641 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 1.521 -2.840 5.661 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 9.436 31.955 -8.912 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 0.552 -0.190 1.490 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 3.028 1.741 2.433 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 20.295 -10.997 0.509 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 -5.361 11.225 -8.982 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 0.066 -2.913 4.434 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 -19.278 -11.669 -21.409 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 18.983 -4.768 -7.256 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 -4.992 1.388 5.406 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 15.040 -9.177 19.292 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 12.594 -12.333 -8.636 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 4.153 5.152 1.655 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 2.098 16.043 -8.193 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 11.366 8.910 13.893 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 4.817 0.949 6.964 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 -4.013 2.251 -18.584 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 -13.996 -14.208 9.707 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 -3.341 -4.779 5.694 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 -14.396 -6.005 21.245 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 7.100 4.607 -5.280 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 -0.315 3.238 0.434 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 23.563 15.346 -12.309 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 6.818 -6.434 2.226 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 0.197 5.997 -0.201 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 -33.391 4.681 5.757 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 -9.972 5.477 1.557 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 1.494 3.374 -0.548 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 12.878 4.809 9.144 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 -5.460 -7.574 0.568 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 -2.522 -3.300 3.952 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 1.479 -8.407 0.167 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 -10.751 11.115 -4.447 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 1.234 -5.825 3.483 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 -0.997 -10.881 1.677 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 -0.136 -1.454 -0.921 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 5.766 5.777 1.228 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 -1.562 3.737 -14.693 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 -2.752 -12.318 2.319 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 -4.127 0.449 0.583 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 12.816 14.948 17.171 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 6.558 4.930 8.547 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 -9.380 0.569 5.626 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 -32.581 -8.011 14.094 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 -3.068 2.865 1.484 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 -0.060 2.138 -0.087 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 -13.952 -8.721 30.889 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 10.929 -6.718 -0.708 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 -5.478 0.122 2.272 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 -5.137 2.309 -4.029 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 -5.868 0.306 -0.714 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 -4.560 -5.921 -0.137 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 -1.004 2.125 4.867 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 -10.625 -15.403 5.462 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 1.465 -0.546 -2.653 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 -12.315 -3.684 6.692 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 1.996 -1.567 0.687 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 -2.867 -0.277 5.944 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 0.443 -2.729 3.914 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 8.151 2.572 20.460 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 3.039 1.081 0.032 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 8.829 2.203 8.092 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 -6.329 0.455 -14.419 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 0.655 2.541 4.691 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 22.055 7.851 -26.420 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 29.837 -13.497 -20.993 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 -2.075 4.795 1.415 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 1.716 7.987 13.063 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 -0.981 7.721 -0.148 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 2.120 -2.896 -8.463 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 9.183 0.541 -15.311 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 -5.295 -1.538 -15.910 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 -0.647 -4.153 3.417 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 27.625 -9.135 8.910 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 -8.395 -10.051 -0.997 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 -0.395 -1.801 -3.125 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 -11.175 22.333 2.409 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 22.145 3.978 -17.561 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 -1.775 -0.965 0.250 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 12.476 10.223 -8.019 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 -11.949 7.929 8.997 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 3.877 7.251 5.770 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 9.861 -15.037 1.641 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 6.256 1.925 -20.750 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 -2.684 -1.770 5.670 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 9.091 -3.732 15.369 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 -19.598 -4.648 13.090 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 6.472 0.925 -3.678 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 -1.292 1.409 -12.311 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 11.863 -13.532 -12.685 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 -0.503 4.703 1.740 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 -15.886 10.382 -3.652 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 4.146 6.212 -5.679 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 3.247 4.070 0.013 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 -31.807 -18.674 -4.782 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 0.873 19.212 -21.848 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 -0.174 0.734 -3.174 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 11.667 1.356 -9.961 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 8.603 20.844 22.900 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 0.633 9.723 2.609 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 -9.216 11.100 -1.520 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 9.122 -10.283 -8.878 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 5.079 -1.867 -0.530 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 1.724 -0.565 -7.641 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 10.054 3.915 0.181 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 0.925 7.077 0.887 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 0.435 -24.558 17.562 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 -9.578 7.630 -29.289 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 7.596 -1.387 -0.955 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 23.441 -3.246 17.850 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 -6.331 22.127 -14.095 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 -1.578 3.800 6.054 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 -9.103 -12.455 1.215 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 -6.354 -6.710 1.633 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 0.682 6.269 -1.022 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 -0.342 2.040 8.549 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 -5.925 1.000 -11.040 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 -7.434 0.264 6.521 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 -5.632 7.631 23.437 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 9.137 -4.667 4.256 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 -3.735 5.323 -0.211 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 -1.900 2.696 -0.477 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 4.340 -3.433 -3.078 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 -0.678 2.162 1.573 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 -1.684 -7.555 -14.037 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 17.170 13.785 -8.542 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 -4.138 -0.768 -2.850 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 -1.492 -2.173 7.937 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 -3.976 3.477 1.109 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 0.111 2.400 0.310 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 2.466 7.044 -0.374 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 -13.853 -13.277 1.162 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 0.268 1.930 0.911 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 0.538 4.799 20.274 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 10.076 -4.242 -3.438 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 2.928 5.999 7.919 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 -1.873 1.196 7.814 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 -5.346 8.713 14.608 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 -0.968 -4.517 -3.317 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 -10.183 4.905 -9.261 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 -3.023 -1.708 7.794 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 5.984 2.009 -4.059 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 12.717 12.876 -14.771 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 -3.232 14.720 -14.074 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 -4.650 -3.280 -4.488 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 -8.501 -22.040 -6.649 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 -5.843 7.739 -2.733 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 -7.021 4.463 3.916 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 -5.535 -10.340 24.262 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 -16.260 -10.577 -24.524 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 2.459 0.476 -0.021 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 -0.598 5.569 8.104 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 -3.655 -1.611 -7.511 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 -5.132 -4.710 -6.108 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 -1.206 5.767 -10.616 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 1.282 -10.126 -5.693 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 -5.208 -7.718 3.651 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 -2.558 -18.934 -12.623 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 2.789 -6.484 15.121 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 6.311 -1.765 11.012 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 15.699 8.273 11.982 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 -6.460 -7.180 -3.136 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 -7.498 -0.698 1.102 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 -5.265 -4.736 3.500 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 -7.675 -1.934 2.540 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 -0.159 0.512 -2.448 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 4.500 6.466 -6.722 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 4.319 24.792 -8.192 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 -2.777 4.757 -1.282 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 -15.452 -1.464 -4.180 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 -12.178 0.172 -3.485 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 -5.761 -4.410 6.190 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 -6.186 -4.270 6.153 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 -5.728 -7.731 8.688 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 -1.019 -3.479 -6.132 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 8.440 19.560 13.672 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 10.555 19.451 -6.152 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 1.006 -0.465 2.225 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 11.782 -5.524 -6.181 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 12.860 -8.824 -5.026 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 -2.249 -1.041 -5.734 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 -9.146 5.622 24.834 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 -25.186 1.636 -26.962 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 0.633 1.244 4.503 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 13.317 -10.021 -33.292 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 0.388 5.593 9.941 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 3.363 -2.724 -1.439 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 -0.451 -19.746 0.275 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 4.540 13.872 -6.526 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 -3.722 -6.543 6.783 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 -1.671 -2.958 9.831 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 -4.990 3.549 17.126 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 2.400 -3.468 1.802 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 6.506 3.277 -7.871 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 -4.971 -15.905 22.008 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 1.857 0.367 -1.900 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 -1.465 7.523 -10.017 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 31.839 -4.948 -3.790 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 -0.887 -4.873 1.674 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 4.004 -12.210 0.038 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 10.475 12.501 -5.628 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 2.002 3.753 0.107 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 1.087 11.683 1.124 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 4.524 -10.522 -4.530 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 -7.055 -0.731 1.431 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 21.783 -26.403 -19.489 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 9.847 2.791 14.982 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 -8.391 -0.095 2.098 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 -11.301 1.519 26.834 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 13.819 8.919 -3.849 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 7.582 3.622 -4.208 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 19.995 12.040 -6.243 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 -14.223 -10.538 -3.175 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 -1.033 -0.540 -3.601 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 -14.434 -18.264 4.077 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 24.655 -21.352 -2.809 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 5.904 -0.918 4.340 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 26.032 27.692 27.245 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 -10.383 23.622 -4.388 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 -0.503 0.384 0.051 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 9.088 8.309 -3.564 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 -6.021 0.864 10.362 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 -0.524 -0.903 1.465 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 -16.023 3.856 -13.349 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 13.750 11.837 -4.935 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 -1.135 7.238 0.701 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 -22.592 -14.526 -8.403 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 1.143 2.607 12.378 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 -1.161 4.085 -4.060 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 0.700 -21.193 -23.452 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 1.516 -3.146 -4.324 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 -0.541 0.958 0.740 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 -19.152 -4.629 -28.690 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 2.066 -3.709 -27.931 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 -4.133 0.323 -2.482 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 10.354 3.429 -5.531 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 -1.500 -19.914 1.587 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 2.094 0.303 0.393 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 7.651 -32.604 0.146 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 3.207 0.314 -8.845 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 -2.328 -0.097 10.165 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 -8.379 0.122 4.230 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 -6.042 -1.061 0.198 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 0.017 5.998 0.738 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 -5.999 16.217 8.069 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 10.833 3.053 9.068 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 -7.803 -5.309 -11.395 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 6.910 -8.223 -11.624 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 -4.568 -2.969 17.092 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 3.643 -0.980 -1.501 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 -23.812 -8.933 -4.416 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 16.471 -9.416 -3.486 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 -1.714 0.725 0.529 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 10.953 -5.626 2.233 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 -1.277 1.362 5.753 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 6.759 -8.536 5.431 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 -17.090 6.419 -12.950 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 6.545 13.990 28.654 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 -0.556 0.711 -0.245 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 -10.202 -21.695 15.656 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 31.614 1.931 1.622 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 0.955 -0.965 -4.950 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 11.593 13.651 7.874 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 -15.678 6.039 -11.998 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 2.064 -0.869 -4.435 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 -3.034 -11.098 -3.555 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 -12.349 19.584 -9.462 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 1.178 -0.974 0.638 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 0.804 17.253 1.787 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 3.688 13.197 4.067 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 -1.666 0.570 0.609 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 -12.803 -3.643 3.005 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 2.628 -2.008 -8.555 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 0.130 3.275 -0.600 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 17.281 13.751 7.955 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 13.767 -3.586 -2.911 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 -4.035 -4.780 1.990 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 -4.891 -16.144 -24.108 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 36.156 -3.247 33.503 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 -0.336 -1.115 -5.756 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 -13.664 7.030 -1.138 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 3.348 -3.661 -11.996 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 2.924 2.049 2.514 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 17.971 -5.740 3.059 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 -10.878 -7.926 8.764 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 -1.256 4.329 0.217 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 -26.806 3.090 7.046 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 -26.398 4.979 6.026 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 -1.744 -0.882 5.669 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 -0.569 9.900 17.827 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 -10.110 -6.464 12.497 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 -3.531 -2.348 2.507 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 5.539 4.090 -5.075 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 -5.729 15.735 17.634 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 5.865 -5.646 2.869 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 -0.335 -11.207 -3.344 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 11.962 1.426 -2.398 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 -2.226 -0.681 -2.244 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 -7.190 2.148 6.651 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 8.435 6.451 -2.456 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 2.313 4.367 -2.460 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 2.822 3.335 -1.345 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 9.028 -4.801 -13.699 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 0.826 3.221 -6.267 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 -4.269 0.054 -6.946 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 -6.592 3.201 -5.277 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 6.758 -0.133 -4.870 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 11.468 -16.467 -0.464 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 -8.338 31.159 -12.257 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 3.542 -4.104 -7.033 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 -3.024 1.004 8.879 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 11.358 -14.405 11.229 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 0.712 1.203 -3.415 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 -3.248 8.845 -3.845 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 1.043 -13.292 -25.878 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 1.798 -4.300 -1.244 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 -3.699 -7.964 -6.266 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 -4.607 -1.400 -2.603 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 2.253 1.253 3.794 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 -6.309 -10.037 -8.679 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 19.757 1.338 -2.286 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 -0.199 -6.805 0.426 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 22.628 3.964 28.794 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 11.629 -8.012 21.691 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 -2.891 4.515 -1.312 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 -15.137 4.844 -7.578 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 13.624 17.949 16.333 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 -2.252 1.577 1.893 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 6.781 6.450 10.031 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 -19.141 -14.926 -7.873 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 -4.909 2.483 -0.701 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 -15.501 -1.918 -3.658 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 -5.816 21.665 9.205 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 -2.419 -4.751 -1.123 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 2.652 -5.364 4.183 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 -6.251 6.519 5.366 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 -5.777 0.954 2.366 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 -28.664 -20.132 -14.244 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 -3.920 -11.739 -6.735 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 -7.714 -1.405 -3.811 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 25.389 2.473 13.867 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 17.392 -5.627 4.574 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 -0.029 -6.085 -2.686 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 0.915 -6.374 -10.016 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 19.367 6.178 1.919 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 3.641 -1.433 1.983 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 -0.253 0.476 -8.138 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 8.088 -4.109 -1.747 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 -1.446 -0.736 5.948 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 1.778 6.916 1.448 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 9.911 6.851 0.132 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 5.687 -1.917 4.303 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 0.288 -2.567 7.433 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 5.729 -14.568 9.151 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 -0.779 -1.367 -3.101 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 19.757 -24.234 2.645 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 9.293 14.991 17.741 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 6.498 1.167 -5.573 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 20.568 -3.889 -16.725 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 3.570 -13.492 6.092 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 -4.695 0.736 -1.490 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 -5.238 2.346 -1.151 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 -4.635 6.405 -4.481 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 4.866 2.120 0.741 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 -14.667 3.231 5.653 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 4.308 -4.941 5.854 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 -7.546 2.196 -0.069 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 1.626 1.531 -1.822 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 -4.279 1.230 1.659 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 -0.437 2.129 1.904 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 -1.269 -9.626 -13.506 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 16.392 -1.821 10.330 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 -3.631 -1.231 -2.560 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 24.487 17.741 -17.922 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 -5.397 5.792 -23.657 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 -2.803 -0.624 0.392 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 -7.325 -8.227 -22.083 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 -4.346 -31.918 0.139 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 -3.126 3.474 2.878 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 11.880 -18.805 -7.355 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 7.959 10.387 -0.638 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 0.584 1.252 2.336 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 11.900 -2.539 12.026 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 2.257 1.955 -5.692 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 0.312 0.513 -3.160 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 6.978 -25.032 5.583 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 9.003 -11.007 -3.703 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 -6.092 -1.685 -2.457 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 -3.928 -1.128 0.482 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 4.191 -1.479 3.128 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 3.099 2.107 -2.343 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 -3.186 7.617 -0.899 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 -0.665 0.474 -7.441 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 -5.966 -7.486 2.288 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 8.509 -10.079 -5.605 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 16.806 -6.136 19.556 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 0.781 3.730 -1.298 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 14.613 11.357 -12.405 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 -3.200 -2.006 7.190 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 2.042 1.171 -1.970 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 20.497 12.376 -13.319 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 -0.042 1.769 14.309 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 -4.353 -0.245 -3.372 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 4.487 -5.925 2.913 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 -6.978 17.607 -8.976 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 0.189 4.528 0.766 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 12.376 12.123 -24.041 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 18.457 27.138 -7.345 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 -7.201 -0.278 0.552 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 0.508 -10.097 5.510 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 -7.197 -27.397 2.294 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 -5.390 1.971 -6.049 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 -5.306 6.946 -26.470 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 13.527 -2.679 4.730 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 -2.015 -0.181 -3.139 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 -17.164 -5.139 21.638 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 -3.226 -4.222 -18.734 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 0.772 -0.215 -3.421 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 -19.790 -11.638 -8.705 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 -16.922 -2.281 -10.625 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 -3.977 1.108 -1.623 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 2.470 -12.949 -2.190 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 -18.783 1.850 -8.508 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 -2.521 -1.870 -5.485 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 8.781 -24.589 -0.182 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 -3.736 -4.700 -2.955 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 2.653 0.218 -4.590 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 -0.003 -8.349 -0.631 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 -8.393 -20.770 -3.467 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 -8.061 0.606 -4.256 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 -4.459 6.045 37.807 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 -9.676 9.900 12.292 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 1.146 5.741 -3.599 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 13.781 30.164 0.752 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 37.178 -1.242 -1.701 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 4.721 0.387 -0.347 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 1.712 11.662 3.521 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 2.999 4.144 -8.270 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 0.928 -3.689 -0.658 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 1.254 -4.267 -0.502 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 -5.239 11.763 2.533 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 8.213 -7.627 0.410 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 -5.892 -6.697 1.392 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 -11.110 5.976 8.893 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 -5.023 3.341 0.173 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 -4.136 7.202 -4.200 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 6.083 -14.975 -1.463 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 0.804 -5.362 1.973 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 -1.654 8.713 5.728 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 -16.071 -12.345 21.708 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 -1.786 2.979 -2.839 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 -14.775 -9.882 -4.601 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 3.922 5.806 -6.076 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 1.222 -0.498 -1.671 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 21.152 -7.227 -2.789 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 -31.362 10.468 0.875 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 -3.280 4.371 1.410 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 -0.366 12.355 9.850 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 1.342 -11.495 -9.562 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 0.909 -6.560 -3.318 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 16.892 11.024 1.994 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 -6.187 24.889 -20.261 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 -2.445 -2.380 1.344 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 22.064 20.965 14.228 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 -6.729 -0.085 -10.134 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 4.235 -0.096 -3.877 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 15.472 2.626 -12.448 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 21.374 2.421 -9.142 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 1.821 2.420 -1.025 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 0.057 -6.604 -4.415 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 -0.643 -2.941 1.380 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 -5.448 1.943 -2.384 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 -0.117 4.582 -13.200 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 -15.714 25.822 4.600 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 3.370 -4.114 -3.596 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 5.531 5.111 8.691 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 -9.655 -19.097 -4.924 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 -0.732 -2.336 -6.777 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 10.562 1.899 17.475 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 2.510 -11.176 -5.749 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 0.015 -3.351 -0.870 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 8.133 -8.024 -8.136 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 -9.734 15.215 8.745 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 8.088 -0.830 0.221 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 -9.957 12.441 -19.911 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 18.825 1.068 3.432 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 3.300 2.310 -2.171 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 5.120 2.901 9.268 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 2.738 0.609 -0.202 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 -0.514 2.891 5.590 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 -12.088 -0.321 4.437 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 -2.988 -0.842 -2.379 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 3.339 0.217 -1.178 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 -12.474 23.910 -22.520 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 10.666 6.254 -6.958 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 -3.800 -0.889 -3.586 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 -2.837 2.314 -1.594 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 17.287 -24.434 -6.629 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 -1.220 0.579 2.128 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 23.783 -8.869 -6.669 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 12.574 -11.550 9.111 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 -3.711 8.667 -9.317 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 4.794 17.274 -2.490 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 6.493 10.374 6.420 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 1.397 -1.011 4.902 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 13.432 1.061 7.216 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 5.346 -33.659 23.459 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 -0.952 2.490 -4.409 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 5.290 8.094 -18.755 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 21.764 -5.581 26.747 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 0.515 -3.892 6.739 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 -7.647 6.518 26.103 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 12.401 9.447 11.485 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 0.177 -2.363 0.457 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 2.374 -16.167 1.916 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 5.621 -21.410 -2.343 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 0.140 3.643 -0.465 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 -0.524 2.280 3.493 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 13.540 -23.106 -5.303 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 -0.177 1.412 -1.008 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 18.945 1.509 7.082 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 -4.910 -2.993 5.399 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 1.304 -1.250 1.530 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 15.521 -12.906 0.452 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 -0.928 7.700 -11.023 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 1.323 -0.468 6.745 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 10.539 3.850 7.250 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 -15.376 -3.404 7.679 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 -1.728 6.742 1.281 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 -4.532 2.120 2.788 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 17.443 -20.780 19.460 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 -4.274 1.460 1.259 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 -1.674 -14.900 -17.075 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 11.884 -10.641 10.570 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 -2.454 -1.728 -3.239 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 20.895 18.569 29.641 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 -0.631 -0.851 3.905 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 3.569 0.862 0.461 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 11.946 15.808 -3.517 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 5.598 -5.730 1.101 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 -1.741 8.711 -1.387 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 6.065 24.030 -11.041 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 22.481 26.018 -12.426 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 -1.963 0.897 7.451 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 -2.193 6.015 21.498 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 -2.940 7.872 17.351 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 -0.809 -6.407 -6.745 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 8.695 -9.744 -9.540 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 6.155 -4.806 -13.982 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 3.928 -4.609 1.045 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 11.346 -8.610 6.915 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 1.230 -4.168 1.500 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 4.097 -2.882 -4.712 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 19.536 -7.864 -21.613 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 8.647 -8.794 10.224 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 -1.961 2.675 1.459 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 -3.022 9.189 6.444 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 0.852 -10.420 -5.615 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 0.167 1.773 4.335 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 -6.759 -4.826 -12.590 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 8.605 -12.175 -16.167 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 -5.309 0.673 4.323 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 -9.135 -0.843 -2.156 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 -19.404 -6.905 -14.281 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 2.548 3.435 1.144 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 0.906 11.089 -11.283 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 9.267 -12.282 27.763 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 -1.039 -1.825 0.055 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 13.157 -6.638 0.534 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 24.793 -10.037 -0.226 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 -10.306 -7.764 0.298 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 -21.883 17.653 0.654 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 18.319 -3.127 -9.245 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 -2.560 9.001 -3.463 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 -8.764 2.473 3.869 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 -2.981 3.301 -13.491 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 -13.214 1.303 -5.262 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 -3.153 10.364 4.124 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 15.510 -4.677 14.938 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 -1.564 0.889 6.035 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 -2.771 -9.179 7.809 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 5.610 -2.586 -1.493 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 1.790 -0.930 0.373 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 -5.067 -2.756 15.201 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 11.380 6.734 -0.042 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 3.370 4.999 3.684 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 4.193 11.069 13.828 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 -10.188 13.338 -8.567 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 -2.094 -3.212 4.394 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 -29.471 1.597 21.862 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 -6.887 18.886 -1.906 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 2.799 0.656 -4.793 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 10.416 24.512 -15.214 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 27.967 2.670 11.241 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 -5.813 0.594 -6.570 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 -7.618 4.349 -7.415 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 15.937 6.545 18.768 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 7.416 4.213 -6.417 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 15.025 16.255 0.960 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 -11.033 8.214 -2.679 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 -8.676 -4.186 1.719 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 -31.312 0.041 23.840 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 -2.355 10.829 -9.600 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 -2.776 1.999 5.738 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 -14.402 1.743 7.409 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 -20.802 3.068 0.354 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 0.462 -1.651 0.808 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 -14.267 7.989 -13.977 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 3.948 -16.818 14.504 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 11.510 6.754 -0.663 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 12.415 5.913 -4.625 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 0.728 -0.304 -18.649 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 1.796 1.965 1.237 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 -24.696 14.808 -4.838 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 2.480 11.557 21.981 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 7.096 6.304 -1.420 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 13.153 -15.287 11.372 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 6.315 11.461 11.572 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 7.450 0.380 -0.177 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 -1.889 0.312 -6.466 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 1.924 -0.400 -2.872 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 5.188 -0.907 -5.033 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 -24.985 -4.018 -14.770 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 -33.037 2.812 -19.218 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 -2.879 1.120 -2.959 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 9.822 -7.461 24.453 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 -0.355 0.963 23.941 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 -0.799 4.809 1.278 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 -17.906 25.059 20.922 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 24.000 25.039 -7.300 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 4.373 3.580 3.064 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 1.973 15.908 15.706 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 11.819 4.566 -13.200 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 3.174 2.788 2.500 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 -18.849 -8.728 -3.060 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 -12.252 -1.330 5.107 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 0.177 -4.294 1.508 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 0.273 -4.967 10.986 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 12.705 1.848 -3.428 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 6.929 3.184 13.025 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 11.077 -11.175 -6.896 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 19.423 -8.655 -10.127 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 -0.194 -0.455 -2.427 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 -4.894 8.877 -8.592 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 21.066 10.431 -8.938 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 3.624 2.896 -5.300 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 16.071 4.857 -0.267 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 -5.171 4.051 6.121 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 0.797 2.000 -6.610 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 15.761 -35.702 -5.621 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 6.009 17.974 7.466 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 -3.233 -1.697 3.256 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 -6.893 9.531 -10.940 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 -10.871 -17.132 2.823 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 -0.678 -1.813 2.623 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 -5.625 -14.393 -5.391 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 10.630 -1.003 -8.062 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 0.329 -6.305 2.510 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 -3.737 28.517 21.565 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 -17.657 -2.093 -6.952 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 1.646 -0.328 -5.354 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 -10.737 -6.632 8.245 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 -4.422 -0.034 -6.433 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 2.256 -2.607 0.924 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 0.260 -3.998 2.369 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 -5.195 -8.121 18.200 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 2.417 -4.337 -0.459 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 16.883 -17.978 5.475 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 -5.729 -2.936 7.961 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 -0.538 2.311 -0.593 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 -9.108 8.147 -8.030 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 -1.458 -8.916 -1.754 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 0.408 -4.864 1.269 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 5.381 14.412 23.060 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 -21.152 -9.910 7.838 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 -0.523 0.785 -6.127 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 13.452 22.994 -13.765 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 5.132 9.816 -3.635 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 0.182 5.095 4.112 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 4.213 2.575 3.346 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 -3.162 2.513 -2.222 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 -1.339 -1.603 2.652 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 12.344 -6.543 8.934 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 10.128 17.268 2.363 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 -3.446 -1.517 -2.690 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 -15.350 9.987 -2.390 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 -1.513 2.850 -3.017 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 -3.056 -6.028 -2.465 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 -8.246 3.927 -11.978 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 -4.779 2.872 -9.284 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 0.626 -2.484 0.549 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 -21.166 -10.625 11.512 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 -1.672 8.667 -17.463 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 -3.357 4.634 -4.750 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 -1.382 13.920 16.580 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 -3.585 7.277 -0.829 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 -0.657 2.217 -5.529 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 5.548 -21.773 -13.564 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 -4.368 -1.900 20.649 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 -1.718 4.012 -0.196 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 -8.920 5.830 -7.266 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 -2.437 12.964 10.794 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 -0.418 6.073 0.170 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 -11.313 -18.874 -3.710 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 4.877 23.898 -17.848 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 -7.324 -0.727 1.765 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 -32.389 4.153 -20.086 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 25.573 -6.465 31.185 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 -0.067 0.112 0.782 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 10.516 1.776 2.326 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 5.340 -3.775 -13.313 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 3.219 2.998 -1.863 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 25.752 10.813 -7.100 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 -5.179 4.404 -4.757 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 -5.532 -2.085 4.338 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 2.913 1.208 11.395 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 -9.310 -9.470 14.886 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 6.054 3.183 0.985 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 5.957 1.350 12.895 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 5.549 -9.447 -6.124 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 -1.974 -8.256 2.361 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 8.080 -19.980 7.725 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 -18.323 -14.992 7.388 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 -2.500 2.297 5.315 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 18.004 -18.914 8.445 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 -15.235 1.430 -20.798 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 -2.425 -0.354 -3.262 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 5.548 1.165 -17.261 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 -10.129 9.019 0.620 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 -0.292 -0.755 4.288 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 -2.285 0.616 -0.695 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 0.696 -7.667 5.332 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 -3.792 1.177 6.870 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 2.914 -23.629 3.007 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 11.274 5.657 18.531 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 3.707 -3.877 3.785 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 -6.521 3.275 14.365 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 22.933 -23.747 -21.892 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 -1.051 -0.243 -0.330 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 -4.628 12.422 6.935 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 9.293 9.771 -9.512 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 9.063 7.874 -2.187 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 0.868 3.415 -16.861 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 -6.539 4.373 25.924 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 -8.021 1.743 -1.847 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 6.462 -10.538 -6.609 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 -7.385 2.939 18.278 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 -1.053 -5.115 3.224 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 -6.780 -4.293 -0.078 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 2.952 -2.019 24.106 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 -0.900 0.613 -0.711 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 23.999 -9.893 7.208 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 4.773 1.362 -2.343 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 1.486 6.350 -2.519 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 3.001 25.824 20.277 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 2.716 -2.913 -14.803 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 2.224 -0.038 -0.436 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 -3.371 -4.239 8.545 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 7.273 11.966 2.074 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 -2.272 -2.098 -4.862 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 -4.029 17.560 -8.917 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 -3.434 5.207 -6.019 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 0.227 3.498 -2.294 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 9.039 8.910 2.240 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 10.355 8.095 -0.949 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 -1.074 0.958 -3.962 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 -4.877 20.976 6.073 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 -10.097 -16.764 3.921 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 -0.604 2.159 1.622 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 -1.883 1.062 -0.128 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 -6.248 3.550 11.611 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 0.490 10.313 2.339 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 0.035 16.831 -0.199 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 2.215 10.870 10.896 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 1.443 -3.119 -2.818 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 4.883 -8.179 -3.504 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 5.607 -15.391 -8.423 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 5.865 6.924 -7.091 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 7.165 11.748 -7.330 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 1.489 16.332 3.036 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 -1.639 -1.223 1.511 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 10.667 7.259 22.332 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 23.145 13.841 27.170 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 2.108 3.547 2.861 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 10.331 2.315 4.717 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 12.419 -33.033 -10.600 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 6.331 -2.709 1.392 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 0.290 0.946 17.903 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 -15.764 4.037 1.676 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 -4.443 -4.028 1.839 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 -15.346 6.557 16.350 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 -1.568 -0.176 -1.320 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 -1.653 2.954 -5.604 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 4.341 0.642 -1.913 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 -6.674 3.576 -5.119 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 1.935 1.666 -6.474 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 -12.813 5.846 -18.225 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 21.482 -1.502 -16.700 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 -1.482 3.131 1.124 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 6.144 15.392 -19.125 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 32.306 2.115 23.533 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 2.141 2.689 1.805 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 -17.889 1.187 22.618 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 7.664 -7.823 13.118 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 -2.877 -4.390 3.132 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 5.636 -0.249 3.169 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 -8.228 1.618 -2.741 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 2.599 -1.523 2.103 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 13.758 -4.378 -3.224 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 17.605 -4.669 -5.199 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 -3.186 -4.780 0.825 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 4.130 -0.928 13.142 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 23.021 -4.437 4.192 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 -5.485 0.257 -0.129 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 -18.186 -21.517 12.224 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 -17.837 -20.860 11.804 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 0.765 0.640 4.876 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 8.557 -10.677 -11.503 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 16.831 9.659 2.437 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 -5.086 -0.493 0.888 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 -0.408 -1.240 15.770 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 -8.091 -0.475 -16.472 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 11.488 0.978 -5.276 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 0.747 -8.016 -3.819 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 -2.613 0.630 -9.936 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 -2.154 -3.854 -0.445 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 4.428 -2.545 -2.629 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 -3.349 -6.317 -9.140 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 -5.006 5.303 -0.558 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 -23.276 15.232 9.638 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 11.002 -7.939 19.653 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 4.420 -3.831 -3.404 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 2.671 -12.338 -5.595 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 4.324 -3.822 -3.453 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 1.751 5.078 1.696 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 7.150 -7.402 3.386 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 1.240 -7.196 11.399 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 -1.160 3.919 -1.118 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 -1.169 -4.824 23.445 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 6.464 13.626 1.395 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 -4.540 -7.965 -0.261 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 -16.790 -12.968 18.854 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 -5.746 -7.886 -0.158 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 6.093 -6.695 2.736 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 7.865 -6.929 7.325 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 10.330 -6.487 10.995 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 0.580 3.910 3.264 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 15.386 10.086 12.517 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 -5.314 -2.676 -0.338 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 0.880 -3.093 2.172 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 8.762 -19.431 4.330 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 7.931 7.536 10.913 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 1.839 -4.470 0.699 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 -6.119 -0.385 2.987 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 -5.145 -3.151 -4.503 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 -1.085 8.406 2.751 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 -3.649 -5.946 -2.367 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 -9.027 6.235 14.813 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 -10.282 -1.368 -2.579 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 8.635 -1.430 -8.023 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 -7.309 -8.021 16.037 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 5.904 1.783 -1.123 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 8.591 14.503 -12.849 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 16.317 -13.541 -1.545 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 -0.587 -0.546 -1.668 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 -35.039 4.496 -17.996 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 25.081 2.182 0.255 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 0.477 -1.771 4.616 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 -12.884 17.755 -15.060 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 25.618 -10.603 -11.202 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 -1.065 0.311 0.864 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 0.503 7.459 2.906 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 -7.156 0.450 -0.366 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 8.483 -6.430 -2.367 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 0.412 8.320 -9.767 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 14.770 -0.333 19.024 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 1.130 -1.734 -1.778 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 -1.752 13.288 -2.311 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 -4.415 -4.593 9.084 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 5.005 0.189 1.996 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 8.848 2.989 9.425 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 -4.715 -8.631 -9.221 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 6.030 2.080 -5.186 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 17.418 1.959 17.701 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 -13.394 5.208 -28.370 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 1.890 0.615 4.421 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 -0.851 1.369 -3.521 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 -4.588 -1.168 -3.816 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 -1.467 1.981 -4.820 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 -0.960 9.763 20.353 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 -0.033 10.784 1.445 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 2.788 0.743 -0.387 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 1.244 -4.285 5.666 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 5.782 -15.637 8.215 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 2.252 -0.272 2.573 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 10.744 0.125 -8.072 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 -24.250 -4.455 8.426 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 -2.113 2.525 -3.880 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 0.459 -8.781 5.671 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 -1.518 -6.172 -13.006 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 1.143 -9.418 1.141 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 -12.185 -12.669 -17.128 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 13.733 -2.714 16.470 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 -4.576 -3.489 -0.158 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 -8.474 4.504 25.447 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 -4.546 6.074 -23.961 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 1.620 3.269 -2.103 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 2.984 6.477 -11.347 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 7.687 -6.689 -2.513 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 -0.186 1.249 3.566 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 -19.726 -23.821 12.868 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 -5.101 21.295 6.563 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 0.484 -0.730 -1.533 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 16.809 11.861 4.495 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 -21.171 -7.054 -12.892 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 -3.688 5.401 -2.374 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 10.255 -20.954 3.189 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 -16.590 -18.724 4.157 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 3.131 -0.924 -1.145 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 -2.921 11.541 -8.167 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 1.212 9.162 11.586 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 -2.248 -10.435 -0.156 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 -6.197 -4.861 0.812 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 6.374 7.915 1.343 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 5.187 -3.012 0.853 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 13.739 -13.113 -14.548 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 7.278 -6.530 -14.314 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 -7.315 -6.531 -0.967 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 10.199 43.481 4.586 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 -22.476 7.882 -8.926 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 -2.641 -5.466 1.649 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 7.443 -9.232 -2.088 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 -0.400 -13.286 -6.463 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 -0.694 8.676 -3.994 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 2.247 -8.557 15.964 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 -4.231 6.842 -4.631 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 0.268 -1.684 1.929 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 -2.821 -7.555 -12.891 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 -18.157 -8.344 0.425 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 -7.134 -3.637 1.709 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 -12.252 -0.592 13.690 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 18.907 -11.477 -16.499 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 1.670 -1.443 -0.685 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 0.180 5.780 13.245 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 2.578 -1.809 1.085 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 -6.377 -1.924 1.433 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 10.954 -9.780 16.053 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 -1.521 -21.014 8.389 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 1.058 2.408 3.806 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 -1.590 5.477 22.718 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 13.950 -12.796 2.283 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 -3.169 -5.144 7.231 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 -14.792 -15.736 6.979 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 -9.794 -14.627 -7.202 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 -8.456 -4.270 1.917 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 -4.917 -23.569 32.369 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 3.249 28.251 7.802 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 -5.522 2.955 0.466 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 -6.079 2.810 0.830 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 -10.352 16.891 53.823 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 1.924 -9.615 -2.432 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 -4.157 -24.014 1.568 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 -11.416 -12.110 18.388 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 4.851 0.263 0.014 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 -11.757 8.325 -8.464 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 10.081 -3.056 -33.919 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 -4.035 -4.490 -2.312 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 -14.118 2.760 1.369 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 0.541 -12.474 4.887 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 -3.923 -7.883 -5.645 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 9.909 -2.838 -2.282 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 15.308 -17.020 0.797 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 1.505 -1.916 -1.583 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 5.393 -0.932 6.442 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 -6.062 -1.901 3.212 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 1.275 -4.639 1.655 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 13.731 -3.176 26.373 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 4.936 -1.818 15.032 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 11.582 2.852 2.190 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 19.902 -3.266 3.749 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 7.286 0.602 14.139 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 2.088 -4.299 -5.229 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 -0.045 2.879 0.220 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 -9.625 -7.384 -13.114 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 -3.379 -0.949 -2.557 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 1.723 -0.104 2.074 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 -4.580 -6.908 3.806 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 2.034 -3.252 -2.228 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 6.903 -7.873 -8.830 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 9.241 -10.207 -1.591 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 2.923 -4.597 6.679 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 -35.237 21.863 11.604 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 2.327 2.282 8.509 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 6.686 -1.792 -1.100 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 -10.205 -29.510 1.508 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 -6.968 27.450 20.955 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 -3.509 -0.245 -4.509 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 8.163 -3.096 -11.893 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 2.366 5.394 -6.030 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 3.803 8.761 -3.502 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 12.935 6.155 -0.246 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 12.420 4.921 -6.554 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 0.220 3.021 3.164 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 -20.271 3.048 10.500 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 3.475 -7.949 -16.646 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 -10.118 2.308 4.640 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 -1.672 -0.766 -16.932 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 0.771 -8.883 15.052 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 -10.484 -4.868 2.014 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 -14.324 8.761 20.718 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 -4.789 -17.072 -2.985 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 -3.615 -3.194 1.721 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 5.222 -2.601 -9.474 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 -7.284 2.038 4.103 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 0.665 -3.834 4.644 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 -10.606 -21.106 1.701 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 4.129 1.699 12.057 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 -3.979 -8.092 -2.620 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 4.291 -1.150 -15.506 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 -1.348 -1.616 -10.661 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 0.918 2.231 -7.241 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 -20.319 24.194 -12.024 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 11.284 -8.403 -5.946 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 4.092 -0.727 0.268 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 6.586 -5.802 -5.672 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 -6.241 0.187 6.304 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 -0.907 0.454 3.236 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 -12.023 4.060 -3.906 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 10.600 -9.435 29.453 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 -4.411 2.323 -1.064 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 -9.595 -2.650 7.238 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 3.463 7.453 -4.539 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 14.696 0.205 -2.842 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 0.906 -10.188 5.257 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 -2.264 10.420 9.955 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 -1.630 4.042 -4.298 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 12.493 6.975 4.503 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 -9.936 1.748 -15.848 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 3.486 -0.557 -6.961 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 -17.779 25.122 -12.041 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 -2.268 -2.743 27.164 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 -9.204 1.338 -1.899 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 -4.573 -0.837 -8.817 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 13.680 28.403 0.701 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 0.549 -3.393 6.119 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 12.567 -9.414 -1.585 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 12.464 32.977 -3.707 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 8.235 2.866 2.370 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 -7.678 -3.190 -13.103 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 24.460 9.098 8.621 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 8.000 2.792 6.941 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 11.112 11.455 8.231 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 8.173 -2.503 4.206 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 0.209 -2.586 1.743 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 -4.218 2.884 2.282 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 6.546 3.985 -6.564 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 -2.752 1.787 -0.018 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 29.355 -3.110 -10.069 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 -14.886 1.766 3.895 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 7.106 4.784 5.666 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 11.798 6.644 12.915 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 -17.414 11.408 10.450 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 2.384 5.336 2.872 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 1.837 -1.906 2.101 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 5.932 -0.876 2.386 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 3.585 -3.423 -0.582 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 -8.223 -10.576 -10.475 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 4.548 7.419 3.446 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 3.757 4.105 1.145 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 13.301 11.540 12.094 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 1.620 -3.564 0.309 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 0.255 2.366 -2.874 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 -4.196 -5.742 -0.547 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 5.398 -19.126 3.347 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 3.704 -4.203 -0.351 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 2.172 -0.205 -21.454 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 -15.699 -0.385 8.628 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 0.028 0.886 0.770 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 0.560 2.578 -1.929 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 10.256 4.394 7.620 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 -3.411 1.295 3.279 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 -6.048 1.569 4.053 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 5.697 0.687 2.107 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 -4.194 -1.983 -5.449 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 -15.616 8.369 5.258 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 -1.072 7.867 -17.370 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 -0.275 -0.086 7.274 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 -10.511 4.463 12.016 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 -6.630 4.695 3.055 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 -6.066 -3.429 2.285 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 -8.387 -7.388 5.256 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 1.993 -15.944 17.878 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 0.090 8.814 -1.530 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 17.827 -12.208 -8.741 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 -3.614 -7.725 -17.467 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 1.214 1.648 -3.495 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 12.883 -14.681 -23.251 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 12.327 8.263 13.973 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 -1.866 1.479 -4.875 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 0.692 9.689 6.835 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 -2.620 -5.884 -5.034 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 4.817 6.153 3.760 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 21.782 -6.184 -16.323 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 7.840 -8.066 -1.382 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 1.776 -5.272 2.240 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 -8.120 25.877 1.159 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 11.300 -14.880 25.657 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 2.361 -1.989 -0.409 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 -5.664 -5.905 -0.373 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 0.405 -3.333 1.711 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 2.575 -1.269 1.190 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 1.024 6.312 14.639 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 12.515 -15.893 -2.987 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 4.167 -2.605 2.916 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 11.642 -18.825 8.387 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 0.256 6.811 18.658 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 -1.275 -2.855 -0.866 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 -14.007 -4.304 9.105 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 15.580 -3.465 3.668 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 4.834 -3.245 3.520 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 29.855 10.985 -7.101 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 -14.183 -13.913 11.571 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 -1.752 0.565 -4.270 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 17.964 -4.227 6.556 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 3.981 -0.508 -12.171 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 6.442 2.527 2.407 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 -0.705 2.380 11.345 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 -0.616 1.703 8.331 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 -0.803 -5.871 1.776 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 -0.935 -14.601 8.072 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 -0.452 -8.573 4.636 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 -8.533 -2.616 -3.102 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 14.931 2.336 15.054 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 -10.186 13.741 -23.607 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 -1.867 2.853 3.089 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 0.115 -3.008 1.991 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 -26.568 5.919 8.574 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 -3.262 -3.287 -4.140 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 13.393 -0.153 20.851 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 -7.379 5.346 -1.717 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 1.219 2.259 -5.395 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 16.179 16.233 8.682 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 15.335 -3.882 -3.885 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 4.574 -4.970 1.920 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 4.793 5.965 14.378 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 0.695 3.873 -11.948 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 -0.950 4.063 4.720 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 14.526 -13.190 5.228 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 20.113 9.603 17.523 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 0.255 0.247 3.435 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 -23.058 -17.473 -1.328 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 1.727 -8.944 2.768 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 4.326 -2.692 0.998 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 11.184 1.344 -2.977 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 -6.139 -0.958 -0.378 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 -0.212 -2.050 3.732 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 6.337 15.737 4.386 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 -12.474 4.225 2.903 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 1.358 -1.274 0.546 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 8.022 0.175 -16.883 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 4.434 -4.355 -13.033 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 7.062 -0.016 5.666 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 8.566 5.838 5.573 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 4.313 11.120 10.660 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 -0.013 -2.355 -1.521 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 -0.106 18.280 -15.802 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 1.561 -11.361 4.701 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 2.138 0.719 -3.008 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 -2.798 12.091 22.782 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 6.001 -4.223 -9.966 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 -0.319 -2.740 -2.729 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 9.992 7.519 4.535 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 -15.273 -2.941 -15.676 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 -1.154 4.272 6.908 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 -32.058 -13.693 4.119 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 -24.620 17.919 -1.922 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 2.314 -5.114 -1.132 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 -1.627 -18.861 -2.750 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 -4.237 5.129 -0.535 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 -0.905 -2.443 -5.792 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 15.972 -9.022 3.231 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 0.451 14.519 -2.864 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 -1.449 -1.781 1.079 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 -6.310 -27.306 0.354 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 14.846 10.516 -1.032 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 -2.700 3.084 -6.223 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 15.031 3.800 14.282 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 11.621 -4.241 13.556 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 1.521 0.300 2.082 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 5.536 1.432 2.725 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 1.065 -1.513 9.040 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 3.373 0.533 -5.781 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 4.297 5.610 -10.701 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 -2.046 7.662 -0.690 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 -7.885 -10.117 -6.076 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 9.648 -2.388 5.895 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 -18.803 -4.725 19.344 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 -4.655 0.655 1.315 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 -0.653 -2.014 -0.712 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 -5.375 6.789 15.381 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 -2.991 0.262 -0.200 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 -0.286 -3.733 7.171 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 4.742 11.279 2.483 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 -1.168 -5.217 3.843 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 -10.988 -9.930 -0.226 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 -6.242 -0.625 7.909 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 -5.949 -0.370 -2.529 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 -0.579 15.210 -4.093 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 -31.218 1.718 -1.437 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 3.097 1.375 -0.930 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 11.210 -3.429 -3.573 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 -3.615 -2.914 -7.117 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 -1.112 -5.106 6.072 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 -4.294 3.211 12.182 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 0.581 -12.870 1.042 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 4.792 -4.644 1.829 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 -10.607 0.539 -6.845 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 7.093 2.414 19.909 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 -1.186 1.395 -3.109 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 -4.740 8.637 -18.368 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 -2.787 16.823 -27.944 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 -0.605 5.235 -1.328 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 -0.038 -9.313 8.348 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 -5.809 0.023 -21.373 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 1.721 -6.772 -0.388 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 0.947 -8.198 11.233 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 9.265 -4.326 -17.181 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 -3.383 1.602 -1.120 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 9.682 9.330 9.572 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 -10.701 -1.911 -5.155 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 -5.124 -0.904 -7.496 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 5.693 -7.258 6.732 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 -12.471 15.142 32.490 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 -0.161 -9.494 6.103 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 0.121 -12.536 6.054 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 1.216 4.403 5.117 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 -0.245 6.517 -0.247 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 -0.172 6.648 -0.494 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 4.310 -6.966 -7.323 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 3.694 9.887 1.346 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 -5.615 16.011 -2.972 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 4.568 11.374 3.315 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 -2.136 -4.265 1.385 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 18.507 17.373 -5.608 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 -7.475 -21.136 -23.727 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 -5.006 5.829 4.092 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 -5.279 10.607 2.730 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 3.383 -11.392 -10.269 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 -1.940 2.605 6.020 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 4.057 2.238 -1.991 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 4.057 8.841 14.009 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 3.842 -6.344 -0.033 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 -11.531 -19.215 29.700 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 32.640 24.417 -21.938 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 -2.909 0.422 -2.593 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 -7.934 -4.255 -9.831 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 -1.135 13.338 -3.095 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 -4.827 2.982 3.991 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 -28.505 -19.258 7.962 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 -0.107 -5.184 -11.559 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 4.417 -7.645 -1.815 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 -7.995 -10.660 -6.984 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 33.399 13.940 -5.636 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 0.035 3.346 0.967 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 -0.872 1.419 1.482 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 8.854 4.231 20.001 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 -0.885 -2.461 -1.615 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 -12.789 3.025 3.064 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 15.834 8.580 -4.504 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 5.254 2.174 -6.291 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 27.583 12.462 -4.909 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 -4.860 2.449 -15.002 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 -2.936 4.402 -1.962 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 32.738 -6.068 11.704 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 -0.878 12.318 3.668 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 -1.666 1.537 2.891 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 17.968 14.063 6.298 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 3.412 0.156 -3.333 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 -1.916 4.207 -3.929 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 8.179 1.587 -7.556 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 23.543 2.241 -9.639 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 -2.720 -1.107 1.415 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 -5.197 11.762 -3.529 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 -9.693 -4.323 -6.955 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 -1.752 1.170 -1.322 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 2.462 -0.840 7.198 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 2.908 4.853 1.576 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 -4.908 -1.045 4.634 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 22.136 14.751 -0.239 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 -0.024 0.850 -11.531 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 -2.993 4.351 5.660 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 18.577 -13.384 -14.429 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 -4.473 16.581 10.732 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 0.370 0.610 1.223 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 5.566 14.429 -3.745 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 -9.709 15.744 -15.072 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 6.510 -1.129 -3.094 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 32.866 -1.670 8.503 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 15.436 -8.570 23.402 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 6.365 -0.337 -5.298 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 4.650 -5.747 0.047 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 -14.771 18.338 19.069 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 -3.549 -2.108 -0.608 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 -16.546 -3.844 -0.921 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 19.131 -10.908 16.551 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 -4.104 -8.817 -2.463 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 -5.119 -4.506 -1.952 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 -10.126 -17.514 24.101 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 5.807 -8.160 -0.583 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 -2.889 -8.146 -8.999 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 -15.524 -5.221 -9.774 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 -0.980 1.988 -4.223 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 -10.441 3.464 -10.375 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 -12.926 14.211 2.807 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 1.729 5.204 0.298 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 1.732 25.490 1.290 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 -6.702 11.652 3.225 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 -4.175 3.012 1.689 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 2.006 -16.230 -0.516 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 -4.683 9.703 5.718 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 2.602 3.340 -8.166 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 17.420 16.217 -0.739 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 -15.093 6.185 -5.486 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 3.145 7.410 -3.329 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 3.854 7.358 -12.303 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 17.070 15.559 16.214 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 -1.626 6.694 0.422 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 6.984 0.120 -2.600 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 -8.938 2.627 -11.334 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 2.080 0.340 -0.865 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 10.671 10.748 3.439 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 -19.495 -27.359 -31.110 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 7.558 -1.512 2.919 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 6.199 -15.893 10.175 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 23.553 2.800 4.373 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 -2.247 -8.301 3.701 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 -18.768 -20.065 -5.047 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 -13.208 12.152 10.306 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 2.810 -1.023 0.867 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 12.964 4.622 -8.614 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 -7.172 -1.653 20.381 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 -1.548 2.918 -1.741 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 -9.432 11.892 -13.617 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 18.390 -9.557 1.877 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 -3.036 2.670 -2.233 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 8.454 0.761 -8.745 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 -9.149 -5.789 -7.036 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 -5.656 -5.478 -1.793 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 15.226 -4.208 -2.857 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 -11.636 -13.585 -20.847 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 3.087 -0.087 0.833 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 -8.212 21.821 11.177 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 -3.198 0.613 2.670 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 0.285 -3.770 -0.846 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 -10.834 -7.258 28.312 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 3.715 -13.768 -3.593 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 -6.365 5.580 -1.120 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 -19.288 8.899 1.339 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 -9.084 -6.407 -4.405 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 2.071 -0.946 3.249 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 0.987 -1.295 5.128 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 3.254 1.584 8.376 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 -0.095 -1.824 0.581 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 -10.378 6.493 -4.429 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 -6.473 -14.533 -2.319 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 -1.728 -5.455 0.154 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 29.958 -4.906 13.491 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 18.609 -12.651 12.067 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 -3.508 0.497 -2.281 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 9.049 3.516 -13.113 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 7.264 3.711 -10.899 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 8.462 -0.333 -1.991 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 25.400 -26.898 2.505 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 17.718 -6.087 -8.682 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 -2.705 -4.838 -1.317 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 -4.894 -18.199 0.653 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 -6.440 -7.005 11.169 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 1.275 -0.462 -5.536 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 -21.810 -21.668 9.305 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 10.442 -14.936 -1.336 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 -2.213 3.026 4.147 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 -2.745 -8.580 7.220 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 -0.720 17.231 1.927 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 -2.625 -0.387 1.920 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 -18.766 9.447 -0.147 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 3.491 -5.124 -13.511 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 1.472 -1.042 -2.645 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 -8.752 -9.181 4.009 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 7.552 -16.352 -25.218 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 6.943 2.933 -2.113 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 4.310 4.099 -3.510 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 -16.253 10.300 -33.056 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 -5.077 -1.477 3.888 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 -6.864 -9.122 3.799 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 -3.232 -7.256 0.543 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 -1.046 -4.998 -4.693 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 3.760 -13.097 -6.741 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 -2.743 -7.960 -12.039 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 0.434 -2.945 3.946 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 -1.463 0.872 8.075 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 3.543 -0.234 2.276 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 3.129 2.392 -4.626 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 -4.733 -9.047 -20.156 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 -4.752 16.451 0.227 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 -0.425 0.226 -2.018 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 19.790 -16.076 5.050 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 -29.252 16.316 -9.659 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 -6.207 -6.179 9.227 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 -1.020 -6.508 -14.406 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 -8.197 3.667 13.675 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 0.948 -0.350 0.891 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 3.158 -5.789 8.149 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 9.113 -9.350 -7.981 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 0.612 1.265 -1.848 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 10.173 -4.139 -0.935 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 -0.296 2.651 -3.230 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 -0.839 9.415 1.587 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 1.840 5.480 -14.187 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 -8.235 11.715 11.881 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 -2.901 -2.250 -8.611 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 -13.317 -25.864 12.419 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 4.934 18.823 11.110 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 1.614 -3.091 7.959 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 3.451 -17.030 10.937 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 -4.884 25.915 1.049 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 -2.004 3.538 -7.020 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 -9.673 -7.409 -25.978 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 -5.126 30.275 -12.731 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 -0.551 5.823 -4.500 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 -4.232 -10.103 -10.572 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 -2.451 2.741 -5.895 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 1.454 -8.527 3.367 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 -1.909 -11.424 -6.101 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 -2.836 -16.359 -12.486 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 -4.352 3.172 5.070 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 -0.473 10.278 -10.319 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 -21.161 2.655 5.429 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 -6.740 7.004 1.571 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 -8.711 7.933 6.169 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 -9.776 -1.423 10.615 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 2.644 1.797 -2.843 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 2.648 17.637 7.224 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 3.906 2.895 -7.829 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 -2.043 -2.414 -2.562 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 -9.041 -16.208 9.502 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 -2.883 -1.126 -15.876 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 6.229 -2.501 3.867 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 9.189 -8.367 -6.810 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 9.708 9.356 1.182 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 -1.672 6.199 4.346 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 4.863 8.626 13.736 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 2.957 6.430 -4.188 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 -4.104 -6.058 2.858 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 -11.651 9.758 -1.455 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 -20.503 -14.844 3.265 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 -0.757 -1.309 -4.843 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 -7.807 26.144 -18.688 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 8.113 -25.603 4.552 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 0.567 1.924 0.781 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 -10.976 25.259 17.838 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 7.468 -5.702 -5.597 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 0.996 3.800 -0.648 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 -2.293 19.636 -1.840 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 -5.495 29.910 -25.593 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 1.843 -1.009 -0.851 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 -7.965 -8.830 10.169 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 20.089 15.776 -20.854 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 0.928 -4.322 3.770 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 19.016 -34.056 -14.990 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 -16.991 4.042 4.648 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 -5.934 -1.165 0.095 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 -3.587 -13.336 -4.011 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 4.880 -3.808 -1.863 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 -5.064 2.824 6.349 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 -22.496 3.174 -4.729 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 7.676 -14.100 -10.552 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 2.804 3.838 3.731 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 17.152 3.367 25.111 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 10.931 9.791 -13.956 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 -4.153 5.878 -2.772 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 -8.627 -24.301 5.446 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 -1.729 3.439 -10.251 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 6.011 0.508 0.190 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 1.701 0.148 -2.776 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 4.750 3.787 4.956 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 3.146 -0.628 -1.872 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 21.740 4.757 -6.287 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 2.895 6.687 -13.083 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 1.615 -4.976 0.386 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 1.228 -17.538 9.756 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 0.202 4.120 2.667 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 0.620 4.628 4.386 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 -19.137 18.226 -6.286 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 13.654 -3.185 16.954 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 0.105 1.913 -10.581 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 -5.090 -10.031 9.685 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 -1.153 2.518 8.690 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 -0.599 -2.040 -3.030 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 3.348 8.070 -16.827 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 -2.453 -3.915 0.582 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 1.287 -3.164 2.855 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 -9.441 12.261 20.532 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 -0.120 14.782 -7.151 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 6.412 -2.348 0.166 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 -19.033 6.949 14.963 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 8.080 -1.717 29.251 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 1.840 -5.019 -4.708 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 26.617 -1.991 1.432 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 -8.561 -17.360 -5.711 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 -0.624 2.922 -8.433 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 11.753 -4.311 -10.333 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 -5.852 8.813 -13.201 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 2.073 4.621 -2.072 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 12.519 -3.706 4.227 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 2.877 8.408 -8.454 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 5.372 -0.668 -0.558 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 -12.261 9.345 -12.567 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 28.008 -4.491 9.743 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 3.388 -3.632 -0.174 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 17.870 -7.164 7.893 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 -1.194 -20.803 2.960 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 4.204 2.699 -0.503 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 -5.894 11.501 9.161 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 18.215 -0.236 8.596 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 -4.937 -0.259 -1.878 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 -2.762 -4.723 -4.389 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 -1.485 -8.086 5.476 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 2.869 0.536 0.718 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 6.716 -0.239 -4.164 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 19.892 0.639 -4.284 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 3.222 -1.016 4.624 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 -11.309 47.574 15.066 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 1.337 18.926 4.588 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 -0.514 -0.851 2.925 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 7.204 9.831 6.392 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 -14.413 13.803 5.230 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 3.792 -0.634 3.716 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 5.817 -10.079 -8.549 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 -3.202 5.759 15.358 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 -1.751 -2.469 6.540 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 -0.916 -19.716 -23.337 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 17.643 34.177 18.579 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 -1.080 5.959 1.444 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 -3.877 15.120 10.554 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 -6.720 15.732 6.415 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 1.294 -3.177 -0.026 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 -0.399 13.845 1.729 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 12.656 6.925 -9.378 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 7.209 -2.793 -5.744 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 0.857 -5.850 -7.633 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 6.293 -2.210 -5.536 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 1.002 4.729 -4.657 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 3.050 7.849 -4.286 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 -0.949 6.757 -7.059 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 3.131 1.296 -3.181 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 5.827 8.300 -16.204 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 3.413 0.769 2.852 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 6.361 1.954 2.340 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 2.006 -6.495 -3.479 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 10.611 2.810 -8.611 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 -0.198 1.734 1.924 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 -4.551 -12.489 -15.388 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 -0.839 17.150 2.887 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 0.558 -5.506 -0.996 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 17.876 -11.420 26.134 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 -10.557 -6.865 -35.531 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 -2.708 -4.187 4.797 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 17.260 -0.227 0.731 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 -5.204 -5.061 1.404 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 -0.730 5.818 4.506 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 -2.834 0.746 7.592 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 -2.540 1.526 7.567 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 5.027 -0.009 -2.938 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 -4.301 5.246 -11.196 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 11.551 0.347 -0.349 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 -0.164 -5.178 -1.384 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 -1.451 1.635 -2.626 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 4.093 -3.628 -1.156 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 4.282 -1.203 -9.121 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 1.610 -2.032 -16.081 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 -9.043 2.271 -4.999 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 5.023 1.137 0.503 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 12.052 -6.178 -8.943 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 12.720 -7.385 -2.505 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 -8.144 -1.992 -3.101 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 -2.755 -11.319 -4.597 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 -18.465 0.235 -16.677 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 6.515 -3.617 -0.809 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 4.882 -0.531 -5.305 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 13.611 -16.347 -4.408 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 1.868 -2.018 3.610 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 -5.591 -0.772 0.678 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 8.462 2.852 -5.952 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 -6.499 1.476 1.193 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 -9.865 3.604 2.078 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 6.588 18.761 -6.184 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 -0.864 2.079 -1.182 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 12.113 14.372 11.090 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 -4.411 7.343 -9.540 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 1.519 1.454 -4.867 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 -4.018 0.242 -26.863 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 1.287 -4.360 -10.921 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 3.521 -5.024 -2.054 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 -12.135 12.203 5.828 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 1.712 -12.251 -4.844 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 1.059 -5.037 2.087 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 11.099 -4.728 -6.385 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 8.756 -5.329 -3.219 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 1.126 4.071 -2.444 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 -18.646 3.385 -2.772 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 -4.077 16.040 -5.567 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 3.386 1.357 -1.234 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 3.761 6.204 20.120 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 11.031 -9.419 -12.078 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 -2.983 3.448 2.474 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 -3.432 11.148 23.834 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 2.543 38.387 4.039 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 -0.313 3.986 -8.636 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 -1.659 21.218 -10.144 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 6.724 2.418 -6.915 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 0.416 5.923 -2.292 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 -3.529 15.887 -17.553 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 6.503 12.698 -1.437 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 -1.811 -2.866 3.476 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 4.968 -21.589 -2.906 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 6.450 -3.707 2.954 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 1.665 1.705 -1.785 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 2.024 6.373 4.807 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 3.219 8.438 -12.017 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 -3.990 3.526 2.493 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 3.903 23.673 10.829 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 -3.430 15.815 1.604 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 0.918 0.442 -5.910 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 12.005 -10.816 5.830 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 -5.790 -13.901 -19.468 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 3.478 -0.084 1.777 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 12.824 -1.697 2.364 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 -32.893 -11.658 3.205 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 -6.905 6.920 0.733 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 -4.543 2.296 23.115 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 -3.285 -17.841 6.838 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 0.873 2.813 2.440 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 14.188 22.582 22.964 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 -4.935 2.094 -0.079 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 7.577 -4.569 -0.952 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 -6.084 -11.902 -1.669 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 2.160 0.019 3.993 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 -3.454 -3.841 3.657 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 4.353 -4.953 3.017 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 -3.737 -6.957 -1.924 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 7.119 3.271 -2.950 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 -0.768 17.585 0.538 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 -4.918 -7.076 -14.684 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 -0.107 -6.224 -3.635 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 -5.719 -7.458 -5.252 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 4.442 -7.577 -4.104 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 0.785 -3.784 -1.876 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 -4.137 -3.531 12.672 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 3.834 -6.584 13.248 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 3.473 -5.648 1.070 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 2.834 -7.413 20.486 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 1.707 -10.193 21.174 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 -3.795 -1.658 -4.609 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 2.964 1.184 -5.695 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 7.901 5.763 -13.672 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 3.968 -1.728 -1.238 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 22.867 -8.486 18.516 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 -17.063 1.118 10.080 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 -1.198 -0.961 0.391 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 19.955 -7.930 -3.012 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 -16.229 -10.750 14.759 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 1.743 6.714 2.453 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 -0.595 1.483 -6.377 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 -7.568 7.739 7.308 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 4.199 0.001 -2.683 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 -0.529 -1.847 3.129 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 17.888 9.369 -2.223 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 1.312 1.724 -4.259 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 -1.443 13.305 11.598 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 9.151 -19.510 19.751 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 -0.388 -4.252 3.735 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 -18.486 3.777 4.044 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 -15.070 5.526 -18.247 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 -0.249 -1.787 -0.394 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 6.472 0.225 -1.537 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 10.127 -1.647 -9.626 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 -4.978 -1.380 -5.405 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 -4.740 -30.117 14.028 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 -10.634 28.384 -7.262 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 -1.091 -1.156 1.054 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 -12.736 -14.373 -3.963 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 -15.764 -14.409 -6.957 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 -1.058 -2.881 -4.616 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 0.697 2.324 -20.336 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 -6.664 -5.924 -3.119 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 -0.932 -0.172 -2.549 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 -16.483 13.408 -0.002 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 7.693 -6.812 -3.147 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 -5.426 -0.560 -7.530 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 2.912 2.207 7.941 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 -3.143 -2.184 -16.216 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 5.022 5.355 5.238 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 7.617 -29.091 13.611 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 7.718 5.641 -17.672 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 4.785 3.514 -4.702 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 -5.963 17.864 -7.251 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 19.439 0.793 1.719 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 2.298 3.719 9.382 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 -6.709 16.843 29.265 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 -15.994 20.428 5.496 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 4.476 -2.957 -5.279 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 -5.127 -10.860 -12.492 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 2.299 -17.461 13.029 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 1.996 -1.025 -0.361 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 -14.939 -11.542 -23.433 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 4.687 -8.111 20.238 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 -4.970 -2.033 3.404 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 -4.109 -0.379 5.473 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 -11.509 5.089 -9.823 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 2.732 -5.558 1.131 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 -9.628 -4.970 -1.748 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 16.030 -38.860 25.217 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 -4.023 -2.391 -1.002 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 -25.426 1.321 -12.976 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 0.829 -2.926 2.138 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 -3.455 4.067 -5.614 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 12.008 8.451 -11.878 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 -13.413 -2.301 4.192 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 -1.844 -1.558 1.684 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 -8.163 -2.835 0.067 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 -0.007 -8.747 -3.526 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 -1.873 -3.114 0.047 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 -17.529 -8.078 9.271 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 -24.199 -0.042 -33.797 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 -4.206 3.120 -3.807 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 -14.347 -8.913 -19.933 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 1.016 12.565 7.323 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 2.649 -4.779 -2.592 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 2.721 7.593 18.111 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 8.127 -7.825 -13.244 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 -1.556 -1.335 3.640 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 -0.254 -17.949 -22.989 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 -36.014 4.489 8.552 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 0.798 3.076 -3.992 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 -31.467 17.496 11.932 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 -8.319 40.984 -0.464 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 2.055 3.661 5.652 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 -7.667 5.878 12.085 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 -1.061 -11.796 -0.261 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 -1.262 -1.515 -3.082 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 6.504 -7.430 -9.401 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 0.420 -3.257 10.291 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 11.961 -0.419 -4.589 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 11.601 -3.027 -1.690 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 18.482 2.974 -5.060 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 -1.345 -6.186 2.258 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 -8.739 -6.875 -6.392 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 13.177 -9.099 12.214 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 6.315 5.154 -5.155 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 5.538 1.471 1.190 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 10.037 -7.114 6.662 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 -2.916 -3.089 -0.960 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 0.196 3.519 -1.026 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 -0.816 20.797 2.428 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 0.298 -2.129 1.366 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 7.424 -4.275 2.746 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 -8.904 5.744 8.255 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 2.780 -1.849 2.846 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 0.006 -20.310 -8.947 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 20.158 -5.752 11.948 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 -0.546 -0.025 0.538 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 -11.497 -6.134 -3.755 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 8.087 -5.613 -5.529 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 10.259 3.264 -2.910 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 10.793 4.812 -4.767 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 19.544 2.712 -0.571 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 -6.088 -3.272 -1.562 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 -16.304 1.978 -15.747 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 -0.503 -24.329 21.321 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 2.322 0.997 -3.612 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 -2.514 -3.944 -1.443 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 12.000 -4.166 -12.498 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 1.463 -0.138 -5.066 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 7.075 1.115 19.104 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 7.958 5.399 27.434 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 10.043 3.527 -12.058 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 29.391 9.309 -17.559 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 1.911 4.231 -14.545 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 -4.358 -1.840 -0.662 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 0.948 -14.144 -11.327 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 -9.597 -4.592 5.896 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 2.777 -3.875 -2.557 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 21.121 -14.592 0.230 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 -17.761 2.985 11.035 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 -1.644 0.124 7.533 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 2.389 5.465 10.737 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 -7.603 9.515 0.428 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 -4.624 -7.728 1.413 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 -3.964 1.413 1.946 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 -1.144 29.632 4.483 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 -0.541 0.474 3.198 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 -10.713 10.786 -2.548 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 -30.451 -33.502 6.477 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 -6.170 1.131 4.975 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 11.505 -5.641 16.805 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 7.740 -15.116 -14.325 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 -0.670 -5.663 1.462 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 3.030 -4.703 -6.347 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 -1.944 -2.103 1.310 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 2.748 4.665 3.098 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 40.656 -1.089 -20.976 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 18.774 1.032 14.773 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 -0.920 7.527 1.735 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 9.713 -13.819 12.316 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 12.282 27.022 -13.436 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 -2.526 10.071 -5.789 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 -31.897 -1.366 -7.906 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 -5.867 16.438 -21.964 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 -5.792 1.723 -0.995 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 -18.946 -14.418 -13.401 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 -19.626 10.863 -5.443 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 10.061 -1.704 0.427 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 -17.325 -11.942 -9.664 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 12.377 5.387 -0.259 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 -0.028 -2.915 -4.091 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 -3.150 -13.172 13.987 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 11.812 16.881 1.717 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 -4.409 6.918 3.479 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 -10.052 11.739 -5.394 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 0.724 16.741 -13.899 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 0.357 4.010 3.838 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 8.126 -5.475 -16.413 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 5.326 -0.423 -1.920 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 -6.997 -2.345 2.564 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 4.798 -17.102 -5.697 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 -28.547 11.594 -1.126 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 -2.588 9.301 -0.261 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 1.327 17.153 7.672 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 -11.207 8.599 -7.580 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 -5.019 -0.255 -0.729 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 7.812 -4.568 7.803 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 -21.621 16.887 17.303 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 4.055 3.664 4.006 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 -9.753 6.860 16.328 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 -28.213 6.252 28.883 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 0.851 -0.319 -5.388 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 -34.084 41.660 -19.447 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 5.730 12.782 15.989 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 0.318 5.990 -3.692 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 -3.309 3.820 1.682 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 -9.348 -4.068 5.148 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 -2.915 2.015 -3.708 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 -4.411 1.603 -10.912 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 -5.467 -2.260 -11.877 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 0.751 1.482 5.472 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 -5.008 -1.299 -0.671 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 8.484 0.208 2.990 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 0.326 2.623 0.486 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 3.014 3.951 -15.459 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 4.019 10.486 -18.048 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 -0.762 -1.038 -5.140 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 12.189 -21.522 -21.563 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 -11.452 21.636 17.967 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 -4.571 3.900 -1.035 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 -3.655 6.529 -12.731 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 9.038 -1.583 -5.633 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 -4.525 2.025 3.684 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 6.078 8.699 12.752 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 -0.902 -8.962 4.224 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 -2.476 4.778 -0.866 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 0.995 16.131 13.888 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 -4.035 10.069 12.043 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 3.253 2.012 1.290 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 1.684 -6.269 14.473 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 14.267 34.648 1.579 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 -1.891 2.765 -1.746 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 3.005 9.238 -2.321 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 -2.308 5.442 5.375 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 -3.483 1.199 1.190 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 9.881 1.499 6.021 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 9.272 -33.154 -6.347 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 -2.475 0.968 -0.367 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 4.267 -4.141 -12.217 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 0.424 12.340 -4.976 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 5.723 -3.415 -5.194 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 -4.157 -21.113 -4.356 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 15.128 3.304 7.345 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 4.941 -0.478 4.088 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 -8.424 -8.415 0.798 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 11.348 1.559 21.627 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 -3.207 3.547 1.932 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 1.316 5.320 -3.084 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 6.708 -5.576 -15.687 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 -4.208 -4.408 -3.000 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 13.910 9.217 2.278 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 -20.514 15.503 0.467 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 -6.232 2.407 -1.013 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 -4.416 -1.382 -6.934 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 -10.900 -0.201 3.254 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 -5.203 4.752 -3.462 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 -20.239 -6.445 3.482 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 19.575 2.940 -27.946 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 4.149 1.058 -2.007 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 10.012 18.348 -15.964 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 -12.026 14.573 -5.572 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 4.164 -2.917 6.774 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 -12.007 -26.169 -14.013 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 14.566 9.885 27.249 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 1.957 -1.239 4.028 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 1.066 2.109 5.671 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 -10.996 9.986 33.863 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 9.183 4.929 5.110 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 5.274 -0.706 -8.646 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 -1.075 -5.063 11.941 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 0.031 5.706 3.470 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 3.416 6.526 1.366 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 -8.717 5.858 -27.914 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 -2.151 -4.270 2.523 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 9.869 -8.759 -14.362 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 -3.278 -3.825 3.863 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 -6.262 0.227 3.137 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 -15.629 -1.551 4.026 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 17.372 6.591 14.310 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 -4.334 -2.892 4.552 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 -10.324 -2.160 11.129 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 -5.828 -8.101 2.830 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 -1.829 -4.946 2.287 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 -7.402 11.991 -4.445 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 8.785 -8.831 -5.381 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 -3.504 0.328 -1.312 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 1.244 -4.925 -1.322 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 3.128 -12.913 2.419 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 -1.458 0.058 0.950 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 8.260 2.613 -1.847 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 2.548 -7.038 1.650 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 -3.587 5.039 2.086 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 -0.031 4.518 -13.218 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 -14.458 8.285 20.672 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 -7.724 -5.747 -3.324 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 -12.845 4.718 1.926 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 2.842 5.217 0.835 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 0.211 0.449 -1.848 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 1.086 -2.652 -1.773 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 31.670 5.634 24.099 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 -1.106 2.944 -3.736 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 7.882 -26.910 17.912 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 -20.688 26.396 20.707 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 -5.001 6.257 0.640 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 -11.011 -18.635 -13.756 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 11.039 28.066 13.236 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 4.634 -4.611 -0.110 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 0.150 1.424 -11.719 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 9.680 -14.802 10.298 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 -5.151 3.860 1.058 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 -3.392 -2.203 9.595 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 -7.580 10.824 12.641 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 1.588 2.589 2.959 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 -0.743 2.056 1.469 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 -28.426 -4.968 -13.245 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 -0.559 4.886 2.723 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 10.111 16.925 -0.265 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 12.885 -13.592 11.318 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 -3.661 1.784 0.720 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 13.397 -11.672 -6.909 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 -17.158 8.092 -1.378 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 2.458 0.055 0.705 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 -1.725 -8.593 16.536 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 8.971 10.467 6.947 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 2.330 -2.145 4.338 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 0.409 -2.640 -2.692 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 10.716 12.709 4.717 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 4.722 -4.806 2.640 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 12.676 1.694 -18.568 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 -3.551 -3.917 6.418 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 1.353 2.567 -1.915 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 3.802 -0.660 -6.260 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 6.575 2.432 1.201 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 1.760 0.279 1.482 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 20.945 -8.716 7.432 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 -0.047 -11.392 -0.922 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 1.271 -1.958 -1.207 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 6.911 1.825 1.976 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 2.253 -4.920 6.859 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 0.990 1.199 -1.808 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 24.453 4.990 2.104 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 -4.354 -15.227 15.655 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 -3.618 -1.553 -2.871 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 12.833 -5.333 -14.647 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 1.620 13.976 -4.113 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 -7.454 -2.899 1.411 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 2.694 -15.960 1.448 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 -6.584 4.807 -18.171 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 3.470 0.565 1.135 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 -0.750 3.596 -16.568 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 0.854 -11.540 18.251 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 -4.212 0.591 8.953 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 -9.500 -6.840 -28.251 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 5.173 -1.157 -34.866 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 -1.304 -0.900 -2.307 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 -10.326 -12.558 16.468 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 -14.984 17.555 -4.702 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 0.967 0.396 -2.201 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 -3.052 0.577 -3.199 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 -14.189 2.332 -5.622 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 -2.489 -0.276 5.559 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 5.648 7.773 0.770 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 3.050 -1.430 -0.443 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 6.748 0.050 2.264 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 23.040 5.256 1.858 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 -2.416 -3.689 8.924 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 1.009 -5.984 0.219 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 16.019 -14.440 16.882 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 -16.259 1.732 5.993 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 1.159 0.808 2.860 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 32.141 0.961 -17.691 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 -14.243 2.226 9.645 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 2.716 0.570 -0.632 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 -5.822 -9.571 4.598 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 2.035 -5.216 1.022 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 0.776 -4.440 -0.428 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 2.046 -8.151 -6.208 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 10.140 -8.436 -10.927 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 -3.270 1.691 -2.315 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 11.295 -2.076 15.243 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 4.847 -6.711 -11.881 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 -0.752 2.071 1.976 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 0.800 12.646 5.908 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 1.061 -2.429 11.892 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 -5.798 1.809 4.833 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 -1.320 2.691 8.165 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 -10.266 4.418 0.725 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 2.371 -2.546 4.198 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 -5.240 9.689 8.917 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 26.747 -18.666 -16.534 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 -3.743 -5.253 0.816 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 -1.411 5.170 -3.172 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 -10.752 15.807 -3.872 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 8.201 -2.482 4.132 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 9.197 -2.677 1.362 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 21.409 -2.879 -18.319 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 -0.143 2.619 -3.782 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 14.322 -20.570 5.371 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 -3.054 0.706 -1.622 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 1.860 7.822 3.842 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 -1.969 11.768 15.838 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 -1.635 2.833 16.433 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 3.554 2.703 1.322 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 6.316 10.001 -7.330 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 1.240 9.714 8.964 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 5.539 -2.990 -4.479 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 19.879 5.260 0.365 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 0.347 -14.369 -9.833 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 -3.272 6.639 1.875 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 6.323 8.901 4.373 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 -2.920 12.591 -5.527 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 -6.042 -8.259 4.577 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 -8.823 -9.210 1.342 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 -7.311 -6.701 -1.143 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 0.144 -0.382 3.833 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 -32.029 -3.863 -6.446 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 8.497 2.656 28.633 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 3.904 1.006 3.180 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 10.908 -25.228 -8.767 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 5.659 -6.338 -2.114 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 -1.177 -0.431 -3.263 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 18.270 0.587 27.390 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 -21.690 11.688 -13.007 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 -2.740 3.521 -1.635 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 -20.958 24.387 -15.391 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 -7.986 -34.384 -7.742 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 -2.529 -6.073 -4.402 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 2.349 -4.381 -11.611 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 -7.004 -3.727 7.014 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 1.097 -3.554 -3.835 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 3.777 1.856 -4.474 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 -1.249 -3.271 -8.579 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 0.753 4.882 -5.978 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 -13.140 19.539 -13.713 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 -37.575 28.918 -24.882 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 -1.868 -0.198 -1.834 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 1.988 -21.020 -8.023 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 -13.536 7.858 14.511 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 -1.499 0.090 0.110 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 -1.087 -10.145 -6.090 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 -3.525 15.107 12.806 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 -5.977 -2.187 1.752 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 8.282 6.862 25.663 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 0.486 -15.017 18.411 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 -5.923 0.293 -3.302 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 2.954 -2.064 0.240 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 -23.009 3.220 0.569 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 -5.694 1.426 6.704 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 -21.188 7.597 1.416 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 -16.542 0.004 -6.646 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 -1.181 -1.808 5.704 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 15.039 -0.538 -28.937 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 -21.321 -15.976 8.767 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 2.911 -1.825 2.047 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 0.459 -6.440 -6.167 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 10.300 -7.531 6.120 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 0.600 -2.865 -1.302 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 17.320 -3.732 5.255 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 -5.982 11.312 2.763 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 -5.475 3.708 5.631 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 20.189 9.556 22.943 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 21.664 -9.242 6.752 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 2.343 -4.877 -3.119 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 20.751 23.557 -5.708 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 -20.930 18.337 -3.934 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 -1.535 7.995 0.594 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 0.353 -23.268 19.431 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 -19.088 8.498 -7.906 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 0.646 -1.059 -3.534 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 4.895 15.803 11.405 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 -5.413 -3.963 -4.208 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 -3.251 6.793 1.032 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 1.659 -18.515 5.712 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 -10.839 2.351 10.362 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 -0.321 1.366 1.562 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 2.589 18.220 11.469 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 1.081 5.288 9.162 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 0.952 2.869 4.878 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 2.382 6.714 12.094 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 0.151 6.997 -2.670 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 -2.532 5.704 3.691 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 -4.699 -0.040 -0.578 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 -6.094 6.317 0.540 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 -12.132 1.496 -5.636 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 -5.234 -1.460 -10.567 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 4.035 -35.510 -2.914 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 5.828 -0.784 -7.993 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 1.752 -6.676 -9.766 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 13.572 6.004 -6.478 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 -4.770 0.676 5.720 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 16.628 -7.988 5.445 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 -2.558 1.167 2.892 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 -11.474 2.661 -3.798 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 3.425 1.217 -16.003 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 5.241 -2.576 8.205 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 6.392 -0.496 2.877 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 8.145 6.143 8.439 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 12.461 -6.901 2.204 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 3.937 7.770 -0.592 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 3.914 -17.296 5.448 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 2.047 -3.475 8.604 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 5.097 -0.335 -1.478 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 -23.299 11.615 11.496 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 -8.989 14.340 -0.532 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 1.432 13.593 3.148 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 3.028 13.608 -14.307 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 7.085 0.199 11.108 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 -6.061 -1.078 5.484 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 -1.497 6.175 16.771 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 7.729 -6.710 9.444 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 -8.449 0.458 -0.913 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 -11.795 4.144 -12.388 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 -9.102 -15.996 2.452 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 1.911 3.992 -4.928 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 -15.540 -5.377 -2.285 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 -6.269 40.718 11.527 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 -0.195 0.937 -5.803 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 -29.806 -12.590 -11.300 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 -14.398 -4.908 -10.938 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 3.710 6.640 0.615 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 7.678 10.152 1.788 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 -12.200 -2.173 -6.229 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 -5.462 -0.741 -2.317 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 -1.474 2.416 5.696 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 -4.550 7.301 -7.323 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 -3.778 -0.387 0.492 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 -23.853 -0.440 -2.220 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 3.968 5.504 -18.524 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 -1.862 0.915 3.138 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 -3.458 13.069 -2.712 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 23.203 -2.973 -7.904 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 -1.115 4.722 7.701 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 5.303 -0.097 18.461 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 -9.266 18.797 0.761 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 1.861 0.621 -2.953 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 3.937 -6.315 1.224 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 8.156 4.196 -19.806 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 -1.402 5.815 4.649 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 -1.644 -3.822 4.414 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 -5.355 -3.447 6.588 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 -3.937 4.659 -1.907 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 -3.056 8.414 -4.985 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 -3.517 4.743 2.820 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 -1.352 5.261 3.689 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 -4.150 6.122 9.153 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 1.727 0.773 -2.843 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 3.702 -5.674 -0.804 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 -11.023 -1.831 8.000 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 -13.684 17.385 10.150 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 -1.009 -2.344 1.269 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 -21.466 -14.418 -14.772 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 -18.217 5.929 5.649 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 2.669 -4.988 -6.170 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 5.035 -6.909 -4.185 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 14.803 -10.500 3.031 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 3.187 2.344 4.818 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 1.868 16.393 -8.035 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 2.647 5.393 -21.646 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 3.416 -9.321 4.235 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 14.228 -7.655 -0.209 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 6.797 -14.287 1.893 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 5.106 -3.104 0.345 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 10.330 15.040 -5.386 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 -11.112 0.118 6.572 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 -7.322 -0.491 2.121 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 -4.807 1.296 4.320 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 -17.002 -10.474 -6.887 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 -5.728 0.236 -5.025 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 -3.802 -4.320 -1.283 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 -5.906 -1.069 6.999 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 3.229 -4.867 -1.453 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 -1.418 -0.231 11.961 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 -19.938 5.454 17.983 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 0.429 3.314 -7.528 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 -5.613 -7.483 -9.269 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 -8.167 -7.310 -3.799 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 0.442 -3.185 -4.680 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 -31.514 1.513 26.498 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 12.534 3.653 1.334 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 -3.649 -0.258 2.534 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 -21.776 -12.712 10.379 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 -8.332 7.994 -25.388 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 -0.534 0.585 3.667 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 2.025 -18.087 8.568 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 -5.519 -16.768 -23.302 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 3.794 3.771 -2.972 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 2.769 5.461 -11.514 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 3.909 1.713 -12.708 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 -2.477 2.735 2.487 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 -2.379 -10.791 3.009 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 -13.676 -37.403 -3.860 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 -0.594 2.808 -7.916 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 1.813 6.005 -7.013 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 -1.734 -1.301 -2.702 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 3.505 -6.820 -1.727 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 -1.178 -2.482 -3.021 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 2.146 -5.531 -4.688 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 -1.173 4.155 -8.785 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 -4.025 2.635 -8.564 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 8.559 2.650 -11.219 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 9.295 -6.407 0.657 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 8.414 -5.412 1.573 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 2.458 -2.641 3.482 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 2.484 2.824 -10.105 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 3.044 3.142 0.148 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 1.450 6.078 -8.084 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 -1.021 2.953 -1.734 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 2.525 -1.184 19.739 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 -25.457 -11.611 12.340 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 5.498 0.641 3.919 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 8.982 10.800 -7.309 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 -17.269 -3.686 -0.405 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 -2.559 8.470 4.916 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 4.901 -9.901 1.548 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 -17.483 -0.789 4.535 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 -0.364 0.495 2.330 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 19.804 -4.695 -2.307 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 -6.226 -18.019 11.963 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 7.443 -2.605 1.929 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 -9.498 -0.019 -6.186 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 2.033 1.116 4.451 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 2.889 4.215 2.057 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 -1.844 -8.356 0.288 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 12.139 6.504 4.339 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 1.010 -8.629 0.722 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 7.663 -1.832 -24.971 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 12.086 2.235 7.076 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 5.428 -0.727 -0.760 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 -2.665 -3.094 -2.453 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 5.862 0.723 0.640 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 3.021 -1.015 -2.381 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 -29.170 -6.259 0.958 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 24.158 -24.896 -18.859 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 -1.437 -1.665 -1.098 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 7.028 -19.004 -2.573 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 -0.538 -9.689 -5.463 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 -1.405 -0.885 -4.293 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 0.219 -3.898 -2.252 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 -3.073 5.066 -3.373 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 3.963 2.531 2.573 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 11.932 9.017 0.075 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 -21.333 -18.869 0.493 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 7.577 -3.704 5.485 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 9.427 0.819 -3.333 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 -1.724 -2.081 6.623 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 -6.592 -2.185 -2.116 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 -9.847 -27.948 -3.111 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 -14.048 2.132 21.492 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 -6.087 1.177 -1.080 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 -2.260 2.717 2.187 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 -3.543 7.032 0.788 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 4.729 -0.923 -6.260 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 -16.072 -15.992 -18.535 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 -9.197 -7.555 16.546 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 1.041 0.151 -2.549 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 -12.782 -24.719 -16.639 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 0.986 -8.642 1.361 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 -5.470 -5.231 6.742 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 -16.123 10.729 7.906 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 -24.999 5.344 -4.483 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 0.408 -0.341 -1.259 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 19.994 4.877 2.424 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 -5.574 -2.053 -2.796 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 5.497 -3.661 -0.128 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 6.265 2.003 5.111 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 -9.535 -3.489 -6.674 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 5.356 -4.784 1.816 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 8.091 -5.352 1.467 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 -0.356 -7.889 2.943 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 -8.839 1.119 -4.516 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 -11.745 10.887 15.338 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 -15.961 -2.173 -13.646 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 -4.451 -0.277 0.291 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 16.025 -13.434 -3.554 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 -0.493 19.199 4.276 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 -1.711 -2.916 5.436 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 13.491 -11.757 7.065 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 -30.165 16.982 4.881 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 0.711 5.537 3.500 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 -0.777 8.618 -0.005 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 11.792 2.974 1.931 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 8.678 4.604 0.906 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 2.580 -2.486 14.808 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 12.587 20.178 5.829 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 5.348 6.269 3.600 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 15.329 3.020 -0.909 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 2.354 11.657 -3.714 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 -2.758 3.419 6.477 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 -5.623 -3.952 0.201 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 -0.795 2.071 3.572 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 1.878 -6.365 3.034 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 -12.818 -37.105 -4.603 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 13.563 18.322 -13.741 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 -6.327 0.153 5.739 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 -11.301 -11.290 -2.527 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 -18.555 6.575 -6.384 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 3.831 -0.450 -1.120 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 2.128 -7.405 5.197 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 17.768 -7.000 9.948 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 -5.309 -0.756 -0.440 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 -5.390 0.965 -3.189 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 -5.315 1.097 4.447 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 -6.122 -2.305 1.371 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 -8.029 0.596 7.138 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 -9.020 8.071 13.729 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 -5.019 -0.497 1.154 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 -8.179 -1.225 -6.106 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 -12.619 2.719 3.378 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 -5.484 -4.846 -2.886 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 -4.105 -6.434 -10.120 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 0.010 -6.141 5.480 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 -0.289 -3.137 -5.803 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 -0.473 0.235 2.256 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 3.032 -3.655 -14.173 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 -0.460 -6.666 0.078 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 -10.370 -4.000 3.919 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 14.414 -9.574 -7.465 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 0.083 7.774 0.722 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 -1.774 17.333 -26.586 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 -14.994 -2.190 -4.594 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 0.555 0.603 0.672 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 -7.392 5.457 -8.655 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 5.163 -7.950 4.316 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 -0.585 -7.398 4.123 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 0.953 9.240 -1.148 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 -11.800 -11.865 14.678 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 -2.073 -3.796 2.091 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 -0.527 3.456 -22.530 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 -1.455 -4.047 -5.570 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 -0.990 1.541 -0.129 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 -4.500 6.160 -2.383 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 6.717 7.743 -0.237 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 2.114 -1.909 -4.312 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 -2.514 2.787 -4.921 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 -3.908 -29.195 -7.003 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 -1.791 -0.366 -3.811 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 -21.611 -24.815 7.567 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 -7.601 -14.589 6.028 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 -2.732 -2.277 0.517 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 -14.456 8.977 -9.813 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 -3.795 11.268 -22.903 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 4.014 -3.211 9.082 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 18.223 10.555 -0.384 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 -1.619 1.651 -24.918 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 -6.641 -1.022 -7.055 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 -4.390 -2.291 -3.610 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 -5.411 -1.528 -5.127 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 -3.870 -1.174 -5.712 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 -6.804 -0.119 -4.742 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 -1.051 15.650 -2.467 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 -1.888 -0.344 4.791 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 -2.007 -4.010 1.650 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 6.281 0.982 8.482 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 -5.490 -3.475 3.892 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 -25.031 -11.843 14.914 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 19.869 5.428 -6.132 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 0.871 4.158 -3.390 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 -1.961 3.441 -4.866 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 -11.218 -0.713 -10.430 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 -1.014 -1.222 -1.979 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 7.864 -9.259 -3.731 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 -3.927 -2.036 10.629 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 -5.612 0.608 -1.623 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 -14.754 -11.950 -3.785 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 -5.217 1.412 -1.458 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 -0.914 -5.265 1.378 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 -0.311 4.188 1.084 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 10.984 -22.264 18.659 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 1.302 -4.565 2.408 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 12.368 -3.726 -12.429 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 -5.056 -4.932 11.290 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 7.415 2.037 -1.270 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 8.806 15.651 -1.868 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 -4.196 6.616 9.248 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 -0.823 -0.840 -3.391 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 6.741 23.645 -2.757 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 6.542 -19.651 -1.808 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 5.779 0.981 -4.341 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 -5.468 -5.557 -9.675 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 -4.678 -4.414 -8.620 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 5.062 -3.306 0.199 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 -23.164 7.279 0.466 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 -7.786 -5.564 10.796 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 -2.580 -2.572 -2.542 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 2.035 -4.840 -1.960 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 -2.388 -2.612 -2.370 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 -4.698 -1.308 -5.233 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 -3.092 41.134 7.379 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 -5.813 3.587 -4.726 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 1.836 -8.434 -2.066 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 5.886 -11.852 -2.308 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 4.792 -6.201 -2.797 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 7.412 -1.760 3.317 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 3.614 4.259 -7.478 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 -1.416 -12.875 -10.576 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 -1.015 -4.707 0.784 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 -9.447 0.609 7.620 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 -0.201 9.810 5.779 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 1.625 1.795 1.338 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 -10.859 12.742 -32.733 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 6.613 -6.095 5.305 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 -2.353 -2.981 -0.631 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 -3.666 19.994 6.597 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 5.485 -39.640 8.088 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 1.713 -3.438 -0.200 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 12.577 2.768 -4.060 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 8.491 -3.763 1.688 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 -2.936 -2.360 -0.684 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 -32.406 -14.176 -12.529 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 -0.799 -16.141 14.860 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 -3.473 4.813 6.515 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 -8.532 2.258 -24.290 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 18.834 16.834 -0.469 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 8.998 0.167 3.219 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 4.665 3.518 -3.159 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 -3.483 -2.191 26.453 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 -5.753 -1.990 -6.670 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 -10.913 2.868 -5.024 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 -13.838 22.130 8.048 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 -5.979 -1.125 -2.295 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 0.310 -7.090 19.434 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 1.156 -0.498 2.061 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 1.233 2.203 1.740 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 15.581 6.967 -17.798 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 -13.547 -3.025 25.507 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 3.195 1.081 -1.533 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 -0.181 0.558 -7.549 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 7.936 0.779 -1.728 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 1.514 0.713 6.285 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 -9.737 -1.144 -2.804 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 6.783 7.667 -14.523 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 -2.010 4.252 -6.540 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 -11.537 1.883 -6.229 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 1.231 12.958 1.275 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 -7.203 -7.220 -2.540 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 -3.169 -10.775 -7.732 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 1.118 18.022 4.179 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 -2.580 -2.413 -10.404 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 -1.365 -0.324 -8.904 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 2.654 3.207 -8.782 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 5.903 1.865 0.762 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 -2.878 18.275 5.466 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 4.972 -24.998 3.488 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 5.547 3.531 0.905 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 -11.085 20.297 -4.575 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 33.525 21.068 -2.709 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 -5.135 0.007 -4.941 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 9.927 9.195 -10.614 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 -1.709 5.293 9.474 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 0.870 0.490 0.679 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 -10.513 -16.471 -9.777 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 11.779 -1.537 -2.883 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 0.840 6.067 -0.163 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 -1.176 2.735 0.368 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 1.281 10.398 0.163 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 4.119 -3.592 -1.506 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 -19.666 -3.733 7.677 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 15.479 20.776 6.327 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 -9.268 1.833 6.855 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 12.662 9.382 -14.793 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 -21.504 11.443 10.528 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 -5.036 2.194 6.064 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 -10.909 -18.938 39.408 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 -3.211 8.570 -5.646 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 1.703 1.639 -8.598 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 4.271 7.796 13.113 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 1.283 -5.800 -5.150 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 7.834 5.842 -6.572 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 3.632 4.897 -6.063 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 8.123 14.775 5.354 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 0.424 3.896 5.400 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 -2.481 2.690 7.547 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 1.116 8.990 11.021 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 -3.397 4.798 -0.533 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 1.659 13.317 11.096 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 -0.011 10.101 0.669 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 0.237 1.821 1.205 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 7.218 -16.394 1.199 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 -7.740 -10.110 -7.162 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 -0.649 2.430 0.180 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 -1.115 4.636 1.014 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 -1.029 -0.238 -0.572 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 -2.202 -2.995 4.803 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 -6.531 -0.908 12.501 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 -1.998 -4.946 -3.357 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 -6.218 6.115 3.777 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 -1.734 6.184 3.194 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 -12.751 2.605 4.545 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 6.458 3.605 6.139 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 6.744 11.208 7.266 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 16.324 -23.401 -11.289 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 1.738 7.081 2.904 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 -8.619 7.489 3.086 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 -30.661 8.972 3.756 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 0.718 3.336 4.264 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 4.049 -11.063 8.265 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 2.527 -7.690 -16.424 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 1.206 0.072 -1.850 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 11.335 10.840 -17.657 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 14.917 -0.213 11.795 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 2.958 -0.555 2.950 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 6.920 6.172 -1.099 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 -1.708 -0.206 -1.480 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 -1.933 0.074 -1.415 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 8.720 -27.286 -3.825 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 8.663 36.601 6.899 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 5.184 4.414 -0.900 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 9.866 3.233 22.414 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 -2.664 -3.789 -7.295 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 -10.275 0.479 4.132 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 -5.336 -10.839 7.744 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 -6.701 3.642 6.223 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 1.386 -0.906 0.033 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 12.240 5.193 5.250 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 3.735 8.252 -13.224 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 -7.048 0.134 -4.616 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 18.013 -6.990 24.065 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 2.972 5.438 -29.778 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 2.537 -4.404 3.337 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 -19.944 -22.305 21.071 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 10.779 -11.658 3.532 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 -1.788 -1.212 -2.647 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 -10.906 5.994 8.172 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 -9.249 8.501 -10.206 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 0.104 -3.899 2.488 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 -15.688 8.272 10.820 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 12.298 1.900 1.375 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 -10.806 -2.732 1.498 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 5.110 -2.738 3.542 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 -4.971 -22.012 23.473 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 3.100 3.118 -4.025 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 0.544 -0.333 -8.680 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 15.778 -0.693 -1.428 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 0.939 -1.656 -3.376 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 8.958 -14.391 -10.063 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 10.196 6.823 10.470 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 -6.465 -0.223 -3.278 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 1.248 8.154 2.578 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 -22.803 15.961 -3.735 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 3.865 -1.051 -7.033 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 6.923 -11.208 -10.476 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 5.451 -17.100 -7.634 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 -0.385 -2.563 4.698 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 -7.585 -15.411 11.893 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 8.222 14.419 -4.555 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 -6.751 -4.001 -5.028 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 4.594 3.016 10.933 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 -9.781 6.702 4.051 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 0.296 4.825 -1.869 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 -17.799 14.049 -11.336 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 1.784 -7.368 -3.030 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 -1.580 -1.299 1.483 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 -16.027 5.876 5.754 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 -31.645 -13.948 -17.765 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 -1.649 5.500 0.463 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 -0.910 10.381 4.560 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 19.685 -3.288 13.618 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 3.801 -4.229 -2.762 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 7.919 6.150 -17.309 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 -10.880 -9.314 -5.500 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 5.862 -1.886 3.907 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 2.834 -14.899 -12.977 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 27.083 -10.678 3.179 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 3.262 -0.828 0.655 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 12.403 -2.850 -12.379 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 11.289 -5.288 13.715 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 -4.259 -2.270 -2.593 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 -3.776 -6.355 -4.290 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 -5.635 -13.119 -5.266 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 -2.050 -2.758 2.297 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 1.432 -4.599 4.061 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 -14.557 17.924 -9.262 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 1.270 2.100 1.595 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 -5.514 15.824 -20.655 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 -15.512 8.934 8.747 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 -2.350 -1.335 3.607 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 2.581 0.611 4.653 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 9.324 6.600 7.846 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 4.656 -3.080 -0.580 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 37.643 -19.981 -12.625 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 -9.950 17.081 18.688 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 -3.613 -7.855 -7.323 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 -4.324 -16.340 9.418 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 -1.313 11.236 -36.042 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 -0.187 -0.328 0.455 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 3.152 -3.363 0.893 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 -17.482 -2.972 2.098 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 4.220 -2.941 1.365 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 -1.115 -5.809 5.059 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 -20.022 -0.627 3.880 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 0.270 0.529 -1.711 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 12.635 -7.251 -20.373 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 -7.928 -5.694 -18.517 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 5.009 -1.326 2.861 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 15.220 1.700 -11.920 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 -5.027 -4.204 22.517 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 4.280 -2.145 5.031 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 12.153 -6.419 15.002 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 12.530 8.230 -7.648 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 -1.839 2.223 -0.259 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 -26.165 -3.298 20.341 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 23.191 -0.084 18.889 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 6.086 -1.426 2.117 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 0.653 -4.192 -6.609 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 -4.493 -10.728 -4.394 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 -3.404 0.032 1.253 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 0.585 -9.476 -10.164 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 -6.446 -2.563 7.080 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 3.514 1.439 -2.348 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 -15.149 -9.747 11.527 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 -15.480 -11.530 2.395 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 0.433 1.920 -1.768 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 8.738 -4.785 -3.391 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 1.416 -4.380 6.809 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 -3.064 -1.247 3.553 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 -5.396 10.427 -7.011 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 11.209 -4.663 1.200 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 4.473 1.758 0.527 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 18.755 7.778 1.040 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 2.242 9.118 5.808 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 1.130 -2.031 3.308 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 -3.335 -0.006 2.088 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 -0.173 -12.567 6.971 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 0.000 -7.451 5.274 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 -15.172 -11.981 24.952 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 -6.650 -24.017 -8.702 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 -1.743 5.124 -0.861 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 11.481 20.209 11.850 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 -9.093 -12.888 4.577 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 2.149 5.185 -1.866 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 5.039 -0.844 7.877 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 -7.648 14.489 -23.396 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 3.260 12.150 1.212 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 -1.668 -18.411 -8.244 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 35.193 14.277 3.390 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 0.179 1.662 1.426 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 18.037 10.990 7.898 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 2.812 -20.942 6.764 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 2.799 -1.215 1.961 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 7.969 -15.104 -28.874 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 23.073 -4.307 5.601 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 3.180 3.494 4.952 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 -0.606 -18.741 16.560 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 5.395 14.895 -2.973 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 5.233 0.112 3.803 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 -13.262 10.177 -3.490 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 -13.897 -2.586 -10.901 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 -5.970 -4.400 -0.801 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 -3.389 -8.575 -16.060 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 7.747 7.812 2.257 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 -3.741 -4.075 -3.854 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 -17.002 12.809 2.979 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 -2.046 4.006 -9.892 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 -1.997 2.847 2.013 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 -7.314 10.877 1.683 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 -5.601 8.305 3.599 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 -2.210 2.075 -4.446 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 -5.921 -18.895 -5.014 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 27.236 8.644 -0.081 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 8.495 2.112 -4.478 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 -6.829 -2.285 19.434 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 8.163 -9.509 -3.283 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 -3.191 1.396 -5.625 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 -4.835 14.138 -0.126 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 -3.500 -0.432 6.145 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 3.037 1.131 -6.405 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 9.333 14.347 1.451 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 -3.364 -0.016 -15.526 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 -1.123 -1.946 4.862 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 9.616 13.867 -4.901 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 4.920 6.812 -0.296 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 4.419 2.235 -4.127 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 7.137 -5.734 -2.863 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 7.637 7.406 -3.810 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 -1.941 -3.136 2.997 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 20.754 -22.043 12.122 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 9.888 18.186 2.303 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 -0.902 7.227 4.919 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 -7.662 -0.804 6.139 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 -3.034 10.696 12.824 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 8.597 3.692 2.184 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 4.830 2.017 -13.478 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 7.294 18.066 5.959 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 -2.399 8.127 -7.813 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 3.039 11.539 12.781 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 -11.478 -4.430 4.767 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 4.002 0.484 4.120 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 7.720 -3.213 12.057 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 5.162 4.533 -4.718 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 -3.837 -8.235 3.160 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 27.146 -4.651 -4.038 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 -17.256 -7.669 8.645 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 -8.684 -0.094 2.465 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 -20.324 4.900 -5.493 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 5.739 23.334 -16.813 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 0.650 -0.710 4.518 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 -9.321 2.638 2.008 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 -5.292 -4.401 8.292 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 0.283 1.129 3.360 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 -7.345 -7.505 12.139 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 -3.586 -2.362 -9.830 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 -2.203 5.956 -3.975 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 3.665 -1.600 13.102 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 -9.474 -3.635 1.870 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 0.109 -13.765 -0.304 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 4.572 -15.658 -9.619 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 -11.699 -16.335 3.354 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 5.589 7.158 3.351 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 -3.039 10.174 -3.148 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 1.543 0.719 11.913 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 4.339 -2.957 -3.380 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 11.268 -5.711 -1.321 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 3.967 -2.346 -0.201 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 1.279 -2.283 4.868 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 3.532 -19.925 4.885 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 -4.763 -9.411 -2.266 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 -7.950 -3.118 0.391 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 -6.333 4.659 -22.823 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 13.307 3.377 22.299 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 7.065 3.256 -3.820 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 7.357 10.192 -5.687 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 12.899 -5.759 2.955 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 -7.797 -1.704 -1.222 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 -7.101 -8.780 8.132 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 13.415 -25.761 -11.007 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 2.302 -5.019 -4.787 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 15.406 10.214 2.061 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 12.096 1.441 -5.153 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 -3.887 0.487 3.598 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 12.613 -13.868 7.742 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 6.395 -10.839 1.745 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 0.381 -0.675 -4.680 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 -13.326 -14.551 -10.854 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 0.107 7.128 1.664 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 -6.584 1.298 3.980 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 -17.645 -1.976 5.896 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 -15.276 -1.457 3.207 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 -1.566 5.264 -1.718 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 -6.075 9.074 -19.159 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 11.371 13.283 12.004 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 4.524 8.333 3.213 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 8.696 7.699 -17.277 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 14.317 21.165 25.622 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 -1.892 2.826 -6.244 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 -9.299 -0.316 0.028 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 2.378 7.711 -12.067 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 0.953 -1.841 2.161 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 -13.911 23.475 -33.119 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 -0.349 -0.240 0.818 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 -1.052 3.386 -1.970 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 -1.067 13.020 -3.860 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 -3.213 2.712 -7.106 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 -4.927 -0.362 -4.781 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 -13.034 -3.316 14.720 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 2.604 6.940 -3.634 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 -2.561 3.299 -1.674 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 -1.674 19.779 22.482 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 -1.845 7.749 3.932 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 -2.595 -0.569 3.959 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 -0.022 -21.797 -12.814 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 -0.852 -9.833 -4.434 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 -6.604 5.766 -3.878 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 -29.150 3.067 3.955 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 -29.486 -1.384 -6.659 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 -3.078 0.117 -3.396 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 11.136 21.348 -14.976 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 -11.283 -10.779 2.675 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 -2.132 2.780 0.270 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 -3.234 5.399 -16.724 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 3.520 -3.362 -11.826 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 -2.931 3.994 0.217 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 7.877 -1.921 -23.493 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 -1.541 -18.862 -2.929 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 3.989 6.729 -1.003 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 13.943 1.235 -0.248 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 -14.747 17.847 -5.106 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 2.075 0.501 -1.261 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 4.597 13.377 4.111 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 8.527 4.399 4.732 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 7.215 -2.319 -6.028 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 5.931 -1.948 -11.414 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 5.263 -6.441 -2.905 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 -2.420 -4.977 2.836 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 2.041 -11.295 19.374 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 -15.735 -8.797 14.185 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 -4.790 2.844 -0.964 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 -14.348 -10.924 10.432 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 -11.436 -0.913 -14.744 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 1.600 -0.565 -0.958 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 1.751 -0.632 7.821 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 -0.777 1.650 -2.618 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 -4.068 -3.866 2.896 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 -12.972 6.758 -10.642 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 -1.028 -17.260 -6.251 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 5.651 0.750 7.264 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 -7.325 9.255 8.112 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 18.262 4.025 -11.256 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 -1.380 -5.041 0.606 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 -7.406 4.834 17.993 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 -3.021 17.577 15.272 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 -4.766 2.850 -2.660 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 -10.111 -1.203 1.699 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 10.310 -0.305 -14.300 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 -6.485 -4.052 5.170 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 -14.263 -12.547 19.288 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 -2.765 9.398 -6.073 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 -6.243 -2.104 7.373 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 4.174 11.395 2.985 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 11.160 -24.529 5.040 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 4.401 8.919 7.475 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 -3.253 -1.574 3.718 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 17.247 2.988 13.934 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 1.141 7.314 -3.965 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 10.755 -4.587 3.727 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 -1.556 3.485 -17.242 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 -7.345 6.619 4.538 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 -9.261 0.042 11.309 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 -7.594 3.007 7.956 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 -5.330 -2.023 10.468 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 -1.999 0.693 15.724 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 -10.345 3.205 -5.347 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 1.541 1.707 -6.057 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 5.262 14.511 5.532 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 9.703 -30.856 9.546 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 4.193 3.527 -1.934 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 6.540 -8.041 -6.285 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 6.030 -0.918 11.896 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 -0.425 0.300 0.149 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 9.661 14.945 4.559 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 0.935 -5.408 -6.211 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 2.085 -3.053 1.928 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 -11.846 -5.764 -14.000 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 16.752 -14.475 24.757 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 0.432 -1.535 3.791 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 -10.503 8.167 11.062 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 -4.635 5.236 8.322 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 -7.004 -4.811 3.557 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 -6.027 -26.462 14.577 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 15.979 5.627 -15.323 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 -0.861 -1.340 1.480 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 19.323 14.601 29.305 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 -3.327 9.037 -13.777 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 0.608 -3.936 2.048 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 10.136 9.354 23.335 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 2.496 -6.305 16.261 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 -1.195 -5.891 -0.100 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 0.928 -7.922 -12.406 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 -24.409 -12.534 12.510 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 0.026 4.667 7.498 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 9.501 10.220 -0.629 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 -13.574 -25.870 4.013 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 -2.485 3.230 -10.818 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 -3.103 -21.737 -14.124 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 0.216 13.146 -11.328 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 4.243 1.127 0.403 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 7.464 10.381 -18.263 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 11.977 -9.822 9.324 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 -3.089 -4.273 -1.082 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 -1.502 -6.279 -9.333 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 -19.471 -0.033 10.749 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 -3.044 -5.807 -1.711 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 -5.632 -18.872 -13.789 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 -7.828 -1.866 -29.486 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 -4.128 1.271 -0.568 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 -3.394 -24.310 -21.317 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 5.693 -5.057 16.304 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 0.225 1.689 -0.345 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 5.320 8.732 -4.547 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 -11.513 3.920 11.587 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 0.740 -3.041 -1.268 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 6.913 5.514 -0.233 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 -2.901 -2.570 -9.366 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 -0.566 -5.801 -6.648 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 -7.214 0.430 -2.858 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 5.227 6.923 -2.703 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 -4.500 -0.818 1.644 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 -0.726 11.976 18.368 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 -15.893 0.072 -11.372 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 -0.484 -3.776 0.179 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 36.141 10.130 2.470 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 38.354 -11.739 17.293 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 1.320 -4.200 -0.346 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 -0.467 -12.619 31.270 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 35.767 -5.911 -8.713 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 1.412 0.060 4.617 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 17.202 6.625 12.211 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 1.381 7.685 -9.986 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 -5.483 2.369 -7.661 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 -8.321 -6.752 4.149 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 6.496 -15.661 -10.863 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 2.643 4.917 -0.849 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 -9.217 -5.268 3.718 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 13.795 -2.488 8.215 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 3.390 3.837 0.527 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 -1.836 30.622 9.172 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 16.879 11.819 -10.833 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 -4.017 -2.668 -1.801 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 -6.022 -5.227 -18.732 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 -10.166 -8.317 -13.849 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 -1.174 -4.591 -6.058 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 19.026 25.901 11.519 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 -7.343 23.271 -3.774 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 2.703 -3.403 -4.909 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 9.590 -6.786 -10.936 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 -7.958 -2.453 -6.335 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 -0.658 -2.238 -1.158 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 -0.291 -3.898 -1.022 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 -4.666 -3.409 6.143 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 2.594 -2.640 3.641 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 2.166 6.397 11.446 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 1.193 -9.700 0.645 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 -5.065 3.535 2.980 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 -5.936 3.558 2.469 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 5.910 7.499 7.992 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 -1.127 4.246 6.227 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 -2.245 -3.367 5.258 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 -8.093 -7.614 17.554 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 -1.381 5.903 -9.119 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 -2.203 5.052 -31.943 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 -10.123 -16.473 -3.740 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 4.739 -4.477 1.142 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 -2.899 8.326 12.888 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 16.927 -12.131 11.332 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 0.926 -3.386 -1.899 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 -0.727 7.158 -4.645 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 14.630 -18.388 -1.228 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 -5.588 3.510 -4.976 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 -7.893 10.470 -0.213 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 -25.652 19.448 -3.553 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 2.073 1.620 -3.798 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 2.722 1.030 3.126 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 -1.085 -8.870 -18.535 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 -4.603 5.636 1.711 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 -24.120 27.152 -12.002 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 2.317 -0.596 6.236 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 1.061 4.362 -4.251 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 -2.851 7.561 -1.432 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 5.686 -11.597 -8.027 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 0.511 -5.539 -5.571 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 -2.838 -0.592 -28.265 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 -17.904 8.492 -16.531 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 0.177 -0.329 -7.421 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 -2.559 -4.090 -18.517 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 3.291 -7.620 27.360 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 -7.429 -1.995 -4.185 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 4.680 -3.538 12.436 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 1.271 -6.752 8.573 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 -2.124 6.510 -0.627 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 8.345 -0.672 14.740 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 -7.150 10.070 -8.413 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 4.803 3.941 2.566 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 5.580 5.857 8.689 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 1.740 9.369 -0.249 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 -1.530 -1.044 1.770 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 0.820 -15.316 -0.766 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 9.963 4.433 4.076 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 3.378 -4.110 3.187 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 23.128 14.267 36.581 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 6.510 7.770 -4.493 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 -4.270 6.317 -2.101 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 11.632 -1.414 3.634 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 -6.428 7.349 -2.432 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 2.980 -0.668 -0.491 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 3.005 -15.024 -18.648 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 2.880 -3.976 9.921 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 1.917 -4.060 5.675 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 15.075 3.854 0.936 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 -14.936 0.312 -5.167 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 -4.859 -0.474 0.228 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 -1.371 5.173 3.848 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 2.116 0.396 -5.872 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 6.001 -0.077 6.363 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 -2.591 -20.395 -20.873 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 -3.395 -22.241 -23.301 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 -2.796 -1.461 -3.615 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 -3.602 3.946 -7.006 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 -9.843 -0.147 5.985 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 4.446 -7.893 5.862 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 8.305 -3.686 2.291 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 10.637 -1.555 1.425 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 1.247 1.645 -3.194 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 -1.044 3.220 5.591 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 4.630 3.749 -9.945 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 -1.853 8.027 0.333 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 -1.348 -8.885 -16.106 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 -1.957 -14.031 2.759 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 -1.472 1.802 2.238 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 -7.015 -2.779 11.176 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 18.897 20.725 6.230 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 -1.481 2.389 0.599 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 -0.871 7.375 1.413 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 -5.846 2.390 -1.454 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 -2.725 -2.529 2.644 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 6.948 -13.270 -17.017 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 -0.290 -5.193 1.387 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 -2.838 -3.166 2.778 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 0.464 17.668 4.282 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 -24.525 -5.333 21.717 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 4.591 -0.822 1.271 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 3.107 -5.813 0.257 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 9.745 14.936 6.455 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 -2.855 -0.475 -4.088 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 -1.938 -2.711 12.503 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 -11.692 5.975 25.682 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 1.316 4.540 -1.496 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 13.610 -3.471 11.312 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 -7.983 7.140 2.161 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 -1.167 -5.005 0.084 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 -2.690 -16.686 0.824 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 9.622 11.677 -4.784 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 0.637 -2.234 0.008 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 9.092 14.605 0.688 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 26.666 15.028 5.905 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 -0.600 -0.467 -5.468 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 -2.239 -1.010 -5.640 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 -8.024 -11.417 -13.875 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 -0.603 2.488 -3.665 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 15.533 -11.462 3.769 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 -14.275 8.281 -6.032 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 0.486 1.050 2.289 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 -6.933 9.128 -7.648 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 11.764 9.263 -0.673 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 0.941 6.461 -1.072 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 -14.214 14.214 -10.658 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 19.004 -3.313 7.946 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 -6.627 0.905 -4.298 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 -2.483 -0.250 6.979 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 -12.255 1.634 -15.919 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 -3.036 2.329 -4.879 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 -0.871 1.121 -7.331 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 -6.539 -6.161 -4.784 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 -5.490 -3.807 -0.977 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 11.800 -9.898 -44.840 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 -4.391 -38.452 24.960 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 2.267 0.367 -3.534 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 3.124 -9.426 15.528 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 8.333 -9.805 3.121 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 -7.060 1.199 -4.852 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 6.351 1.377 -2.545 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 18.373 10.345 -2.187 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 0.921 -0.904 1.719 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 8.149 3.013 3.162 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 -10.218 -3.758 -5.923 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 0.986 -2.011 -4.632 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 -11.094 4.636 -1.991 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 1.507 -6.619 5.181 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 3.261 5.737 -1.785 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 23.805 3.857 10.677 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 14.871 -2.353 9.843 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 6.734 -1.803 -5.132 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 1.245 -36.252 14.027 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 -4.129 5.664 -0.740 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 2.362 -4.109 4.216 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 -3.505 -5.868 3.786 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 -7.756 -8.669 3.138 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 3.668 -3.950 -6.809 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 4.616 20.227 7.672 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 5.828 -8.468 -3.229 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 -0.281 1.738 -3.705 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 11.798 -10.260 -7.288 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 -2.342 4.106 7.585 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 4.568 2.108 -6.126 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 1.826 -9.366 2.911 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 -4.129 3.018 -0.566 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 3.660 5.975 -0.554 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 6.024 -2.665 -0.992 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 3.732 5.155 6.807 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 2.963 -2.894 4.274 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 37.812 -1.929 -20.231 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 -11.466 -4.174 2.380 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 4.100 -2.444 -3.253 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 11.700 7.795 0.197 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 5.271 -10.693 7.236 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 3.601 0.748 1.319 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 -5.357 1.753 -16.694 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 6.932 1.286 9.459 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 -6.360 -0.821 3.915 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 -4.047 -0.192 4.537 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 3.446 5.555 21.214 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 3.307 3.531 -4.097 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 -10.824 1.296 4.616 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 20.399 6.990 23.652 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 -1.337 10.096 4.847 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 6.630 43.102 4.584 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 6.121 5.139 5.476 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 -4.920 1.106 -2.762 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 3.826 -7.467 -1.447 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 7.901 -26.519 -4.017 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 3.402 2.317 -3.288 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 -4.139 1.684 5.037 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 6.110 -3.118 -16.027 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 -2.134 5.799 4.070 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 9.975 1.982 -5.721 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 -15.714 -20.354 -5.582 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 2.321 2.075 -2.441 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 -1.950 -14.020 23.454 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 12.658 -2.590 -24.023 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 2.397 8.031 6.787 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 -2.728 7.545 2.922 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 12.907 16.465 2.782 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 4.755 -0.128 8.647 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 -3.482 -13.016 8.957 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 6.735 -6.521 -13.410 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 1.408 -3.046 5.286 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 4.099 6.282 15.633 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 10.085 17.392 26.970 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 3.698 -0.394 6.316 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 4.436 -3.458 8.773 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 6.174 0.165 4.974 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 12.207 4.274 7.256 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 12.587 -2.769 9.588 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 11.315 13.543 0.195 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 -2.191 1.754 1.243 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 -9.312 7.480 -6.891 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 -6.811 11.745 -4.314 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 2.755 -3.170 -1.217 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 2.310 13.780 -8.573 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 -7.432 -10.556 -7.814 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 -0.650 3.146 0.126 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 5.261 -7.041 14.442 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 10.626 6.654 -13.411 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 1.754 -4.881 4.122 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 -1.591 0.595 10.014 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 5.330 -2.635 -2.941 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 -2.591 1.644 4.633 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 -5.027 9.949 10.906 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 0.351 -11.070 -6.549 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 -3.367 0.691 2.195 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 0.130 -4.336 4.961 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 -29.735 -16.245 -9.227 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 0.169 -0.135 -0.488 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 -15.471 -32.052 -17.625 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 5.005 7.083 2.740 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 6.621 -3.560 -7.045 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 0.031 -12.425 7.799 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 4.228 -15.117 -7.702 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 -3.213 -5.610 2.175 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 -10.041 1.947 40.462 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 -10.826 0.272 -15.284 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 1.843 4.005 0.358 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 -18.093 11.846 -12.882 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 -9.338 -3.901 17.411 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 3.121 1.146 -9.679 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 4.792 -3.715 -0.337 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 -20.898 15.396 -8.328 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 1.946 3.159 1.324 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 -5.763 8.232 -11.465 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 -10.346 -10.836 -5.607 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 4.756 -7.054 -0.416 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 1.293 1.478 2.924 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 7.034 11.855 -13.936 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 -4.263 0.300 -1.816 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 -11.946 6.183 6.978 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 6.327 6.374 -0.557 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 2.072 -2.690 -3.442 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 -13.280 0.477 -27.875 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 0.001 -0.395 -16.884 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 2.961 -2.074 -8.495 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 14.043 -6.405 5.899 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 3.018 -6.664 -12.901 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 -4.237 -1.542 -3.661 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 -7.655 7.993 3.060 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 -3.183 -9.485 3.248 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 -7.933 -2.165 2.600 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 -13.486 5.853 4.624 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 -12.119 -7.009 11.800 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 0.082 4.137 -2.689 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 1.032 3.286 -4.922 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 2.859 4.665 -14.637 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 -0.992 6.171 -1.479 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 12.328 -2.806 -12.897 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 -8.643 16.108 15.219 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 -0.974 -1.230 6.263 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 8.914 -7.051 10.071 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 -21.684 2.705 -10.395 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 1.385 -1.131 -1.234 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 -6.995 2.826 -3.391 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 -0.612 5.811 6.876 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 2.708 -1.784 -2.579 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 -1.254 -2.193 -2.002 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 -24.227 -3.064 -0.605 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 0.899 4.833 0.165 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 -15.053 -0.453 18.684 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 17.488 -12.920 17.828 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 0.517 3.038 -2.075 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 6.004 -25.736 -19.612 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 29.623 -14.251 -15.278 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 2.568 7.221 0.278 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 2.201 18.622 0.238 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 0.770 -14.165 7.910 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 4.372 2.953 -1.016 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 -0.700 4.185 2.966 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 -1.116 -1.414 -6.467 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 2.975 2.784 -0.016 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 3.864 -2.844 -8.324 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 -0.065 -1.606 -14.242 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 1.016 5.475 1.341 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 10.231 -5.674 6.134 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 19.202 -9.753 6.210 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 2.695 -0.147 -3.488 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 6.575 24.557 -2.275 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 -2.100 -8.962 6.134 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 0.534 4.348 0.883 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 -0.667 3.327 -24.109 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 -10.094 10.226 9.381 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 -0.374 -6.060 -0.503 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 9.996 0.087 -3.137 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 6.768 4.939 -11.663 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 -0.579 2.743 1.947 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 0.684 -4.629 27.928 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 -4.545 -18.449 -2.260 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 1.920 -6.113 1.839 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 3.708 -2.679 7.529 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 2.264 -8.603 -1.737 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 1.071 0.034 5.275 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 0.767 0.406 5.836 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 3.442 -2.116 4.580 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 -0.840 0.460 -4.853 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 24.530 8.406 4.475 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 0.316 12.494 -1.774 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 5.127 5.807 -3.936 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 -18.467 -19.196 27.278 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 9.087 -4.343 13.618 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 0.218 -0.521 -1.357 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 -3.408 -21.188 5.956 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 -0.854 11.764 -9.265 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 0.085 5.539 -5.797 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 -4.961 -13.614 -1.379 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 5.170 15.709 -1.321 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 0.845 -1.880 -2.195 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 4.943 22.182 18.525 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 -0.372 9.521 15.288 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 -1.083 -0.955 -1.824 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 0.288 -4.191 -5.164 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 -0.242 -0.214 -7.231 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 -4.046 -0.364 -1.388 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 -1.039 25.033 -2.710 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 -1.669 -10.547 19.679 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 -0.142 -4.799 -3.745 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 0.646 10.870 -2.019 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 -11.479 12.664 -11.010 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 -0.964 -0.153 1.653 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 2.209 -11.196 2.855 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 9.379 -33.024 -11.989 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 3.598 -5.334 2.861 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 -15.256 5.952 -29.422 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 22.775 -41.012 27.008 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 -9.098 0.087 3.022 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 3.301 30.138 7.151 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 12.754 -6.364 1.117 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 6.072 -5.680 -1.147 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 -7.541 -13.377 -0.422 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 15.810 -21.569 -2.415 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 -2.371 -3.059 -0.860 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 -5.473 -13.943 -7.676 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 -11.390 10.439 -5.223 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 -1.663 -4.847 5.855 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 14.284 4.092 -6.434 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 1.016 2.058 10.126 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 7.723 3.654 -4.970 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 8.739 15.529 -13.051 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 -22.361 4.866 6.634 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 -4.034 3.808 5.688 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 10.480 44.386 0.422 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 5.823 -6.371 45.122 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 5.008 0.953 3.824 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 2.582 -15.709 8.409 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 5.397 10.532 3.072 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 1.964 0.611 3.862 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 2.035 9.736 2.644 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 3.455 12.040 2.288 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 -2.129 -2.464 3.663 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 14.201 5.682 -0.919 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 -24.159 -9.467 -12.475 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 0.911 5.726 5.165 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 -3.350 -11.342 8.280 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 -3.808 7.061 1.134 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 0.053 6.517 -6.827 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 5.475 8.192 -18.548 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 1.949 10.812 -1.131 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 -2.538 -2.648 1.919 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 14.424 -12.644 -4.051 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 -19.758 0.212 -12.860 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 -3.634 -2.123 -0.169 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 -1.941 -0.380 -17.324 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 2.098 10.861 6.928 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 -5.250 -3.175 3.699 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 -17.148 -19.102 10.418 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 -2.468 -12.561 -16.503 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 3.094 1.910 4.105 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 -7.386 -16.771 23.724 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 -5.813 14.253 4.741 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 8.171 2.059 1.114 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 -14.614 11.409 -2.388 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 2.011 -19.206 -4.670 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 0.300 3.115 -2.760 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 0.193 2.188 -3.771 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 -0.591 -2.179 1.537 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 6.867 -1.246 2.588 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 -20.276 4.212 -22.602 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 17.984 2.921 2.601 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 -3.323 -0.864 -4.247 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 -1.050 3.831 -2.659 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 -2.062 0.627 1.409 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 -5.084 3.787 10.464 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 -24.060 -14.835 -2.559 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 25.137 -4.096 -2.401 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 -0.789 -0.072 3.366 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 -2.063 -0.686 -13.068 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 -0.143 4.609 -11.212 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 2.014 -3.348 -4.866 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 -17.148 5.217 -2.065 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 -5.665 -6.177 -19.561 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 3.634 5.422 -7.807 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 -5.796 -2.970 30.477 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 24.482 22.519 -0.157 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 6.690 -2.332 3.630 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 2.565 -17.590 -0.476 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 22.105 16.162 -24.534 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 -3.400 0.631 -3.356 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 -13.901 16.749 -15.621 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 14.418 -22.211 15.924 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 -4.443 0.274 1.369 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 2.388 -0.445 6.233 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 -8.570 5.884 5.400 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 -5.569 -2.044 0.973 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 -5.645 -4.137 0.358 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 -16.765 -10.875 -11.975 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 2.485 1.486 -3.676 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 9.876 7.400 -3.420 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 17.662 1.162 -8.975 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 4.874 -0.925 1.963 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 15.764 -0.477 3.282 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 -13.563 -17.025 8.512 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 -5.682 -4.450 1.842 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 3.233 -17.952 5.316 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 -7.733 3.852 2.393 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 -1.022 3.323 1.812 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 -0.053 2.683 -2.363 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 -4.847 -5.155 47.226 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 0.440 -3.140 -3.651 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 2.167 -5.246 -8.137 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 0.045 2.434 1.989 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 0.126 -4.634 -0.894 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 2.280 -1.365 2.968 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 0.062 -0.333 2.570 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 -1.979 -1.153 -0.745 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 -14.139 18.339 -12.566 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 16.720 10.052 5.498 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 0.572 0.044 -6.463 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 -18.703 10.730 20.838 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 28.079 19.285 -4.573 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 1.420 2.916 5.149 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 -9.199 14.806 -9.422 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 -4.109 13.701 0.308 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 3.131 -1.197 3.619 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 1.287 -0.484 1.706 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 -4.862 22.041 30.421 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 -0.910 5.379 -3.061 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 9.796 -12.476 -19.415 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 5.989 -6.303 -13.770 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 -4.814 -4.374 3.036 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 -2.039 3.107 1.554 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 3.807 -0.297 -3.941 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 3.457 -0.778 -6.895 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 8.872 11.805 -5.990 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 -15.155 4.412 -2.313 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 -1.199 0.933 1.365 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 -18.005 -2.494 11.848 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 4.172 9.831 -22.133 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 0.345 0.753 4.311 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 -3.542 12.238 -5.732 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 -2.078 -3.610 5.007 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 -5.596 -1.136 -0.894 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 -9.466 2.116 -2.361 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 -17.805 10.185 -6.342 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 1.854 0.682 -0.237 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 7.175 17.722 7.040 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 2.214 -11.847 16.840 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 -4.565 -1.674 0.077 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 0.091 4.740 -3.026 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 -25.533 22.291 7.203 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 5.761 2.028 -1.136 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 6.570 1.966 -3.240 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 7.864 -0.644 -2.024 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 4.267 -4.459 -2.506 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 -23.123 -2.634 10.463 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 -4.677 -7.503 -11.984 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 -0.019 -0.414 -1.195 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 1.967 -0.770 0.660 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 2.036 -2.032 5.588 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 4.792 -3.897 -1.913 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 -3.767 11.035 3.238 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 1.497 1.811 -0.510 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 1.058 2.995 -4.277 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 -25.891 6.065 -2.294 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 19.878 -4.493 0.247 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 8.376 3.060 -6.249 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 14.965 -3.232 1.692 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 -13.879 11.033 -20.589 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 0.348 9.369 0.790 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 -5.786 19.911 -13.116 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 0.797 12.183 -6.882 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 1.188 -5.143 2.025 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 -6.856 0.430 -0.583 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 13.861 4.222 19.766 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 4.594 -7.414 1.515 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 -6.773 12.657 16.773 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 -9.767 -14.073 -14.075 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 -2.762 -3.537 -6.430 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 10.684 -5.394 -18.138 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 14.442 -8.414 -20.810 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 6.429 -0.426 0.338 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 -0.858 -0.384 -10.331 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 -5.846 3.921 15.764 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 3.637 -7.644 -8.459 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 -14.726 -3.735 3.406 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 20.938 -6.038 7.052 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 -4.680 1.040 -3.145 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 6.775 -3.641 17.737 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 -6.176 -7.325 -9.248 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 -2.349 1.654 -1.078 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 -9.721 15.408 -1.353 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 17.895 9.086 -18.887 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 1.898 -2.766 0.712 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 -2.933 -12.150 8.390 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 -6.041 7.902 3.311 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 0.423 0.999 0.670 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 -9.560 16.080 -0.847 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 -0.106 -7.908 -0.023 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 0.456 0.566 0.332 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 14.203 17.233 18.108 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 -8.973 -1.639 -19.112 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 -3.452 4.063 0.645 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 -1.794 -0.655 1.125 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 -3.304 -10.870 7.694 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 5.345 1.238 -0.155 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 -5.795 -12.474 -2.741 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 14.882 17.869 2.668 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 1.421 -3.712 -1.828 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 1.323 -2.967 -2.783 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 -1.092 -2.000 2.157 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 0.393 4.509 -1.911 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 15.402 8.967 -2.784 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 -1.015 -4.754 7.626 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 2.352 6.548 1.815 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 -9.096 2.829 -20.061 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 -12.500 -5.234 5.022 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 5.869 0.263 2.042 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 13.887 -3.188 -4.669 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 -9.032 12.890 -3.802 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 -2.832 2.765 2.951 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 4.765 8.509 -12.922 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 -3.848 2.554 4.821 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 0.141 -2.221 -8.721 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 -6.304 -11.439 -2.954 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 -0.226 30.397 -6.686 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 -3.033 -5.942 -1.230 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 -9.633 4.334 -6.646 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 5.330 0.976 -0.126 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 2.090 -4.330 3.250 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 2.953 -1.186 1.963 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 -3.847 1.377 5.310 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 -1.853 -0.516 2.533 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 -1.434 11.932 4.759 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 -4.272 -8.319 -0.853 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 -4.036 -11.398 -4.313 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 1.046 -18.035 12.688 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 1.402 11.879 -4.699 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 3.227 -2.625 0.842 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 1.974 -2.194 -2.841 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 5.483 -3.234 4.849 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 0.171 -2.086 0.093 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 -7.725 -2.260 -8.829 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 5.158 -5.387 5.191 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 -2.883 5.101 0.919 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 -17.424 2.153 -12.316 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 13.779 1.498 17.269 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 -5.966 -3.424 2.890 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 -7.363 13.005 -1.190 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 0.844 0.358 -11.330 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 2.133 -0.535 5.054 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 3.479 3.211 23.120 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 9.155 -2.823 -9.763 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 -5.027 -1.128 3.004 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 20.604 -36.556 10.931 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 0.218 14.468 -10.814 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 -2.938 -6.957 -0.121 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 15.480 -10.910 -8.644 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 8.594 -16.013 -4.347 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 1.833 -0.936 -6.632 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 -2.698 -11.729 -13.436 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 3.789 20.797 -10.892 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 4.786 -3.312 -7.202 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 17.816 21.437 -6.705 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 20.988 -0.374 -28.813 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 -1.968 -2.127 4.872 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 -1.257 -16.635 -19.787 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 -2.440 2.768 26.233 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 1.347 -1.337 0.912 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 -7.698 -16.790 1.610 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 24.300 14.841 8.277 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 -8.950 3.586 4.533 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 -10.000 11.816 -4.631 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 -6.445 -8.573 7.279 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 -4.764 -3.127 3.570 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 -1.957 -6.097 12.736 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 2.218 5.410 -3.504 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 -1.162 3.377 -2.077 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 8.785 -7.088 -4.056 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 -4.867 7.714 -1.981 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 -4.281 3.140 4.361 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 10.450 -10.883 15.401 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 -1.085 -4.521 11.696 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 6.339 2.622 -2.681 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 17.693 10.738 -17.339 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 -5.459 -1.944 -8.424 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 9.828 -1.718 -2.024 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 -4.542 10.915 -10.494 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 7.353 -23.122 15.177 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 -5.458 5.022 -2.440 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 -10.412 -3.126 -0.034 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 -1.092 10.436 -5.434 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 -0.097 -0.286 -4.413 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 -16.868 21.622 -1.005 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 -5.885 -2.865 -24.308 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 -0.901 -3.149 2.478 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 13.747 17.467 -8.764 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 -7.809 -20.213 16.606 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 0.232 -6.163 6.411 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 1.832 -0.929 4.113 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 0.683 -1.333 2.571 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 -1.267 -0.085 -3.974 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 -0.547 2.108 -8.126 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 -1.485 0.220 -4.896 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 -5.430 2.739 -0.062 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 27.871 22.045 -21.644 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 -18.790 -0.759 -46.240 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 4.819 0.902 6.825 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 14.956 14.363 -8.637 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 23.902 8.482 32.871 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 -4.795 -1.982 -1.814 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 2.606 -4.637 -3.202 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 10.374 -24.572 17.754 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 1.473 3.669 -3.682 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 5.078 3.263 -19.437 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 -6.319 17.237 -3.532 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 -6.518 -0.875 2.827 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 16.257 -5.365 -4.672 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 -6.813 -1.959 -14.438 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 -2.731 -0.992 2.120 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 2.390 -5.087 1.136 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 -6.601 2.659 2.723 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 4.839 -0.340 3.686 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 4.093 4.771 -2.032 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 15.642 3.899 9.582 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 -2.302 -2.450 1.409 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 16.128 -1.747 16.010 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 11.406 -12.396 10.950 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 -0.256 -5.241 3.772 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 6.564 -16.103 2.092 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 -24.193 12.582 2.233 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 -1.217 -3.244 0.792 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 11.295 -10.714 6.542 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 -3.081 -5.927 -2.782 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 3.060 -7.433 -2.228 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 -11.464 -15.069 -7.599 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 2.098 -13.402 14.991 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 1.102 3.908 1.450 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 11.302 11.487 -12.560 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 8.982 -6.260 15.118 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 4.614 -0.894 2.541 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 7.378 -4.191 1.989 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 5.430 -0.772 6.655 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 3.773 -1.932 2.740 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 19.545 -3.775 -0.223 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 2.835 -1.378 3.173 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 6.683 3.954 -3.074 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 -23.450 -6.273 9.679 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 8.718 6.277 2.515 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 -2.790 -5.203 -2.680 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 0.877 -2.926 -1.806 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 -18.456 -4.997 -4.355 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 -3.514 7.875 0.828 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 8.478 9.330 34.875 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 3.683 5.176 6.537 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 0.597 -7.495 -4.568 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 -18.845 9.780 8.384 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 -8.053 -4.143 3.131 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 4.113 -1.809 3.489 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 -1.290 1.228 6.948 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 8.871 -5.507 1.005 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 -2.779 -7.049 -0.456 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 -3.899 -7.391 -0.744 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 -6.835 19.176 -1.225 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 -3.173 4.914 3.118 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 -5.035 -19.008 -10.418 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 2.440 -27.227 -2.169 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 -11.590 -3.193 -3.652 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 9.180 -26.811 6.168 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 0.522 8.146 -29.469 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 -0.554 -5.651 4.257 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 -18.863 -18.681 2.357 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 -1.103 1.640 -12.232 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 -4.082 1.546 -2.135 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 14.044 1.455 4.673 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 -8.333 14.667 13.289 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 -1.866 0.182 8.611 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 8.125 19.662 11.110 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 11.096 0.377 -14.794 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 -1.151 -1.282 -0.366 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 -0.651 4.516 4.011 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 9.729 9.561 -6.611 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 -3.119 2.596 1.858 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 0.359 -0.286 4.565 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 -4.896 -5.100 21.239 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 2.091 -7.412 5.102 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 2.379 -11.950 -20.076 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 1.788 -6.636 8.861 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 -3.116 -1.557 1.630 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 -24.989 -6.345 -3.166 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 6.854 8.155 7.733 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 -2.692 -0.127 -0.858 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 12.840 -14.194 -4.244 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 -1.304 21.313 3.562 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 5.167 0.465 2.596 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 11.243 15.802 -4.670 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 -14.314 0.464 3.855 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 4.161 -3.152 -1.037 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 -15.346 6.632 6.576 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 6.127 1.192 -2.909 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 -0.677 -4.295 -6.199 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 -13.547 9.153 -4.126 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 -2.625 -14.266 -17.848 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 3.556 -4.031 -3.822 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 -8.994 -9.533 -5.486 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 14.868 6.716 -6.438 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 3.965 3.155 -7.822 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 -2.356 -14.258 -12.429 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 3.495 21.830 4.198 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 -3.702 0.829 -6.397 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 16.215 -16.379 -17.109 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 7.747 -10.296 -14.947 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 1.514 -1.364 3.399 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 13.756 -1.383 0.369 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 11.418 7.866 -19.723 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 -0.764 2.429 -5.190 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 5.744 19.213 4.533 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 1.420 -18.136 9.085 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 -3.024 1.442 2.263 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 -2.521 9.573 19.548 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 -10.317 0.940 -1.288 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 -2.064 3.899 -4.940 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 11.462 9.447 -9.982 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 10.124 1.665 4.435 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 3.368 -3.753 0.639 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 8.970 17.216 4.690 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 17.368 -34.287 -11.166 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 0.572 -0.758 6.660 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 -0.589 -6.478 5.700 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 -14.902 1.870 6.716 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 -2.863 -2.426 6.498 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 -9.922 -3.021 -4.304 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 -43.568 0.953 -2.580 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 -2.176 -2.962 -0.796 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 -9.195 -16.720 9.665 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 4.536 -14.760 -10.057 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 8.247 -1.156 1.821 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 14.293 13.796 -9.136 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 0.764 11.321 -0.975 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 -1.847 -6.600 1.647 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 0.702 1.566 8.022 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 -4.202 6.892 12.112 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 3.118 0.191 -4.302 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 -3.347 -10.196 -15.241 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 -8.305 -9.997 4.851 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 -1.149 2.443 -1.706 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 13.516 3.474 -1.358 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 17.413 -20.941 -18.290 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 -1.750 2.091 -1.902 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 3.999 6.043 9.810 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 23.049 -5.332 -4.909 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 1.180 1.528 -4.193 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 -5.651 -0.274 -3.430 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 -8.482 2.426 -5.044 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 2.592 1.407 -1.643 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 -30.278 -2.290 12.390 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 -12.268 -2.015 3.981 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 5.424 6.742 2.379 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 -2.832 6.235 1.571 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 9.362 0.691 4.937 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 -0.837 -0.736 0.785 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 -0.746 13.615 -4.688 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 -2.403 -4.478 8.020 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 -4.724 2.124 2.729 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 -4.165 -7.191 -9.328 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 -9.224 -31.211 25.055 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 0.567 0.195 -9.305 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 33.830 -10.792 -4.256 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 -6.615 3.879 -12.718 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 2.112 6.852 -4.373 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 0.388 -22.970 -2.404 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 -15.593 12.723 -8.349 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 -1.887 -0.989 8.065 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 3.653 0.682 13.221 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 11.745 -0.711 29.742 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 -5.680 0.215 -0.657 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 24.015 3.374 4.693 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 4.529 15.607 -6.414 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 0.174 -5.443 -3.592 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 2.184 -0.069 0.208 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 7.313 6.619 -8.985 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 -0.492 3.612 0.780 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 -3.701 -6.846 1.713 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 -13.128 20.705 -0.390 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 5.158 0.352 -7.759 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 -6.228 4.376 9.860 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 -14.393 5.895 25.969 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 -8.163 -2.713 2.949 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 -14.929 11.760 17.501 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 9.096 -14.163 13.822 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 -2.058 0.302 0.674 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 -17.630 2.878 14.909 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 12.565 -6.027 -7.630 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 -1.375 -1.129 -5.848 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 -11.320 3.261 -9.079 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 5.296 7.155 1.150 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 -2.971 7.396 -1.208 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 14.631 14.360 -2.098 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 1.787 1.971 -2.716 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 -2.242 1.296 -3.734 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 -1.570 18.158 -34.307 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 6.595 -4.991 -17.058 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 -2.972 1.937 -9.673 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 -5.568 5.041 -1.415 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 -7.878 -16.231 -5.922 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 2.340 2.114 2.983 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 -2.010 31.936 -8.696 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 -15.468 11.585 4.745 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 -0.924 0.834 -0.103 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 -4.835 7.919 3.290 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 0.561 -2.791 -3.200 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 -1.259 -4.357 1.769 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 -3.181 -6.053 -0.506 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 2.059 2.259 -1.354 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 2.269 -4.469 2.361 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 -19.425 -4.202 20.054 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 -0.573 7.213 -19.511 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 4.130 2.635 -0.789 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 12.998 -1.383 14.589 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 13.372 -17.109 5.352 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 4.495 1.535 -5.392 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 -3.647 4.820 4.692 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 9.054 4.198 -1.084 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 1.795 10.110 2.899 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 -7.472 7.607 -1.632 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 -13.041 6.950 -9.562 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 2.448 -4.426 1.248 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 11.590 -3.833 -1.589 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 7.549 -8.303 -3.077 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 2.708 3.934 -10.640 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 2.145 19.718 -9.473 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 14.899 -0.308 -10.340 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 1.965 3.827 2.108 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 2.529 2.413 6.892 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 -3.214 6.105 26.155 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 -7.947 -1.494 1.298 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 -0.911 8.238 -0.096 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 -11.174 -10.589 2.099 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 -5.766 1.752 -0.389 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 1.049 -0.020 -6.271 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 -6.434 -10.358 7.821 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 5.966 4.799 -2.934 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 43.393 -6.213 -18.351 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 -12.575 11.162 4.938 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 -1.617 -6.913 2.388 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 17.816 -17.096 5.475 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 -24.515 -24.487 12.834 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 -6.760 0.548 -0.826 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 -4.080 2.422 -12.001 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 -15.078 8.602 2.965 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 -0.533 1.046 0.746 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 -6.295 4.771 15.706 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 -10.182 11.446 -10.596 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 2.736 -0.798 -4.755 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 2.675 6.464 -14.252 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 -3.794 -15.193 5.484 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 2.252 -4.872 -4.223 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 8.723 -7.350 11.813 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 5.291 -8.088 1.560 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 -4.753 3.593 6.013 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 -11.076 8.264 27.999 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 -2.822 13.066 23.858 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 9.517 0.946 2.291 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 11.501 -13.714 -6.887 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 8.312 14.994 12.320 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 -0.797 6.316 -3.924 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 -9.659 -7.245 19.456 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 -13.024 -13.824 -29.326 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 1.275 -3.964 3.584 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 5.055 -15.893 13.666 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 6.544 7.160 -0.421 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 1.508 -2.796 2.782 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 -3.005 0.569 3.139 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 7.793 -8.347 3.991 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 7.535 -7.039 0.741 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 20.913 7.223 -11.357 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 0.032 -4.753 -21.661 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 2.613 -2.410 -2.274 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 6.231 6.649 -3.076 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 1.756 -7.204 3.804 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 3.528 -3.950 -2.281 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 -12.398 21.323 7.901 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 4.657 -3.115 -4.369 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 2.187 -1.693 -0.818 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 -0.006 -7.599 5.111 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 -5.425 -2.065 -5.546 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 1.544 -7.364 -5.774 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 -4.756 -26.545 31.829 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 -14.869 -0.493 1.417 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 2.322 3.612 -0.660 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 -3.989 1.231 0.383 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 15.502 9.159 -1.737 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 -1.676 0.749 7.070 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 -0.913 14.581 7.424 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 -4.521 21.721 -4.295 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 -0.092 -0.694 -2.585 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 5.505 -1.124 -13.281 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 -2.187 2.687 4.034 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 -6.706 0.686 -0.302 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 -6.642 -3.067 13.858 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 1.541 17.864 0.579 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 -6.247 -2.035 1.707 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 14.244 -3.374 7.394 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 4.688 5.147 1.004 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 -2.538 3.754 0.721 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 4.121 -11.216 -0.278 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 2.855 7.293 9.877 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 7.114 2.267 -2.790 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 -3.663 9.018 -6.206 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 14.272 -3.646 -1.040 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 -3.992 2.252 5.817 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 10.823 -4.100 -33.506 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 0.238 -4.172 -19.696 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 -4.691 -5.684 -1.883 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 -4.734 -4.908 -1.422 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 -6.245 -24.835 -18.374 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 -2.602 -5.010 -6.127 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 -3.259 2.415 -4.116 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 13.136 1.413 -11.312 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 1.629 -4.078 1.721 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 -11.467 15.774 2.318 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 22.826 -0.572 9.226 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 1.316 1.709 -6.822 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 8.906 11.866 -1.703 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 3.894 12.842 -11.077 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 -4.135 -3.848 -1.908 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 13.794 -13.317 -2.151 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 -13.016 -4.653 4.191 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 -1.525 -1.699 -3.411 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 2.713 3.827 -32.812 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 4.363 -18.426 4.313 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 -1.563 2.781 0.324 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 5.106 27.208 30.249 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 27.941 -12.012 -3.342 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 -1.348 -0.939 0.727 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 -11.650 -6.977 3.146 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 4.936 -2.671 7.035 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 -2.516 -0.042 2.110 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 9.280 5.133 -4.762 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 12.358 -9.173 1.736 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 0.412 -1.223 11.141 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 6.725 2.258 17.836 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 -1.296 0.024 7.011 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 1.157 -0.433 -5.157 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 26.585 -7.006 -8.894 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 15.047 -15.897 -8.930 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 1.546 4.732 4.408 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 19.690 -18.776 -37.500 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 -7.944 -2.103 2.502 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 0.278 -4.714 0.214 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 7.979 -1.728 1.136 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 -14.226 -4.616 9.453 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 -6.241 -1.939 0.777 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 -8.295 1.684 3.020 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 -0.409 -18.156 -15.337 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 -4.117 -2.501 -3.958 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 -9.234 -9.464 -13.322 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 -1.331 6.415 0.772 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 -2.523 4.862 3.503 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 -7.146 -3.550 5.201 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 1.655 1.194 8.830 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 -1.086 0.564 2.820 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 16.671 5.329 9.695 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 27.926 -0.649 -8.862 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 4.141 3.945 2.353 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 3.308 -0.380 8.283 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 1.871 13.763 -7.102 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 -0.773 -2.634 -0.330 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 8.821 16.029 0.841 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 -11.663 14.534 -13.173 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 -1.473 0.958 -0.750 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 0.153 -7.305 -10.903 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 2.729 10.004 10.394 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 2.328 -2.435 -1.273 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 2.981 -5.369 0.110 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 -5.065 7.588 -5.313 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 -1.775 1.902 2.172 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 -12.812 -2.397 7.059 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 14.728 31.289 15.844 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 -6.220 3.346 5.495 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 1.126 6.125 8.062 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 -3.978 -6.737 1.192 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 -3.547 0.456 -4.939 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 -0.795 -1.961 -10.868 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 3.494 -7.325 1.729 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 2.583 -5.060 0.174 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 20.171 5.714 0.353 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 24.009 2.981 19.686 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 7.109 1.407 1.324 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 0.082 9.075 -7.071 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 16.054 5.197 -23.415 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 5.818 -2.266 0.085 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 5.064 -1.493 -3.426 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 -1.134 -2.444 -20.069 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 -1.628 -0.634 -1.524 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 3.580 12.020 13.504 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 -7.677 7.116 5.274 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 -5.019 -1.691 -0.257 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 -4.822 -5.164 -2.154 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 -0.069 -9.277 2.744 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 1.888 0.138 4.977 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 -4.383 -8.836 9.001 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 -2.533 19.733 14.164 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 2.217 -0.465 0.963 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 5.247 1.243 2.446 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 -4.240 -11.449 -3.598 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 -2.001 -5.939 0.672 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 -2.083 -12.631 21.261 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 -15.494 -0.618 0.002 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 5.912 4.795 -1.285 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 -7.675 -8.648 2.965 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 -2.549 5.268 -11.231 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 5.512 -3.958 -2.742 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 22.724 -15.182 2.719 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 -0.906 4.138 12.952 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 0.294 -9.643 -2.518 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 -11.485 -24.917 -0.073 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 3.669 3.325 5.306 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 2.722 3.149 -0.914 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 12.788 -4.274 -1.870 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 -1.601 4.690 1.792 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 7.389 -3.711 -1.782 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 11.934 -3.570 -1.285 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 3.684 -11.405 1.488 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 -0.185 -3.645 -6.461 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 -10.152 4.683 4.471 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 16.720 19.179 17.197 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 0.471 -2.890 4.562 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 4.610 -39.209 13.256 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 16.455 -21.500 -1.219 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 5.040 3.333 -1.877 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 0.993 -2.188 15.283 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 3.520 -6.171 -11.631 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 -3.079 1.168 6.483 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 -3.714 5.335 3.106 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 -3.791 7.334 2.644 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 1.287 1.908 -5.710 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 -0.435 11.019 -20.203 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 9.048 2.728 -3.743 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 4.191 -4.381 -6.499 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 -4.426 0.966 -23.213 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 0.994 -13.256 -4.468 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 4.091 2.639 3.055 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 13.397 -2.051 5.440 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 11.071 -2.125 4.188 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 2.380 1.600 -1.075 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 10.113 4.844 -9.768 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 -9.183 -22.323 -3.893 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 -1.082 3.011 -1.989 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 -8.027 -0.981 6.953 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 -7.983 4.563 -2.280 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 3.279 1.328 0.196 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 -17.799 9.043 18.030 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 -20.310 -20.785 -27.831 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 -1.697 2.161 -7.779 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 -10.501 8.274 -6.246 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 -28.542 12.943 2.903 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 0.310 0.492 -4.477 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 -4.967 4.737 -19.883 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 -14.672 5.045 16.742 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 6.841 5.193 -2.417 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 21.097 -17.967 -0.075 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 -1.415 19.521 25.383 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 2.384 2.426 -2.343 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 -7.965 14.858 -6.281 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 -2.232 -0.645 -8.469 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 9.750 0.215 5.780 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 5.716 1.275 6.250 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 18.600 2.070 0.016 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 -4.685 0.203 -0.439 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 -11.523 -17.159 11.233 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 18.152 -14.318 -2.556 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 -1.511 3.065 -2.902 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 6.102 5.656 4.115 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 2.964 -4.937 -9.112 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 3.076 2.254 -1.012 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 -0.877 34.909 -8.420 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 3.588 14.487 -3.407 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 -3.508 0.783 0.010 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 -3.370 5.804 23.012 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 15.179 -17.562 4.894 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 2.353 1.043 -3.435 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 15.724 16.031 -26.570 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 -2.765 -9.763 -21.091 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 -0.306 -3.833 3.193 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 0.436 -11.993 -1.677 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 32.955 5.735 -17.494 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 12.366 5.437 1.699 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 -17.228 -6.633 -19.294 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 12.231 -11.767 16.845 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 -0.755 -1.005 3.882 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 -2.804 0.580 -7.487 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 6.430 -0.506 22.978 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 -0.644 -0.068 1.700 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 4.840 -0.819 -5.866 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 -18.015 8.538 16.658 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 3.464 5.931 2.010 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 2.857 10.567 12.096 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 2.271 -4.463 -23.030 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 -7.662 -2.621 5.121 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 -6.727 -11.528 -0.361 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 -5.818 -7.865 2.771 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 -9.217 -3.143 -0.737 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 -4.531 -2.829 5.113 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 25.181 6.059 -12.437 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 5.732 3.731 5.478 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 14.045 -4.434 1.088 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 11.777 10.561 -10.475 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 -0.481 -2.933 3.831 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 4.839 -2.550 2.561 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 -25.835 5.446 8.340 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 6.929 -3.119 6.521 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 -17.322 -5.326 -7.972 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 13.592 -7.961 2.534 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 -7.719 -2.450 -3.273 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 7.484 9.126 -9.667 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 -16.302 -7.461 17.214 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 3.838 5.061 -1.910 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 -1.975 -8.846 -4.266 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 17.443 42.610 21.743 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 2.429 0.953 -0.572 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 -13.784 7.027 8.851 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 -19.028 -5.823 -13.346 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 2.218 2.835 -2.984 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 -16.421 -3.525 9.801 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 -6.037 1.849 0.661 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 -5.801 -4.025 -2.885 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 -8.224 1.314 2.615 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 -0.588 -24.929 1.037 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 -0.953 -5.011 -0.392 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 -0.492 4.705 -17.389 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 -12.714 -10.303 -3.106 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 -1.572 2.630 4.643 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 -3.711 1.972 -21.352 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 2.128 4.214 17.260 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 -1.826 -0.074 2.070 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 -24.577 -4.325 10.088 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 15.801 4.795 -4.313 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 -1.151 1.903 2.109 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 9.029 2.240 -4.296 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 3.856 3.401 -2.127 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 -2.479 3.446 2.051 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 5.227 0.729 -29.458 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 10.773 -16.161 14.733 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 6.502 -4.361 -3.872 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 15.154 -20.308 -27.151 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 -0.334 -16.848 -29.200 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 0.917 -0.203 1.530 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 5.697 -1.797 5.751 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 -18.258 7.187 -12.251 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 -2.021 2.995 -0.932 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 16.408 -11.358 10.346 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 -12.391 4.271 6.657 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 1.795 8.473 -2.463 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 1.209 -0.566 15.752 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 2.200 -18.811 -10.473 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 0.160 1.415 -0.754 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 -4.546 -8.129 -0.048 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 2.621 4.310 0.748 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 1.352 4.004 -1.305 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 8.978 -14.818 14.348 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 11.719 -1.765 -23.362 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 2.379 3.985 1.124 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 8.257 5.301 8.210 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 -2.411 0.215 -1.395 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 -1.992 -4.595 -2.943 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 34.491 -0.875 26.376 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 -13.082 -4.746 12.232 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 0.509 4.958 2.159 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 -11.881 -11.610 19.715 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 8.742 30.199 17.734 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 -1.655 1.166 2.430 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 11.792 -3.912 1.088 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 10.317 5.536 -8.510 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 7.614 2.202 3.139 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 2.320 7.625 -9.316 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 21.882 9.663 12.905 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 -6.056 -1.104 -3.524 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 -5.249 30.139 -24.428 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 -7.249 37.308 14.485 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 -0.717 1.736 -2.395 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 -11.113 37.034 -5.051 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 -5.676 -8.492 -17.440 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 -2.395 3.033 2.684 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 -6.890 -16.596 21.484 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 18.382 4.606 -3.931 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 0.679 -1.515 4.260 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 4.267 -22.133 15.555 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 -0.879 18.613 -9.651 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 -4.972 -2.537 10.764 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 -9.575 -21.083 -0.446 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 -11.896 9.124 -6.223 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 -8.775 -0.315 -11.161 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 7.895 18.132 -5.657 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 1.544 7.481 -9.264 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 1.625 3.205 3.668 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 -3.018 -2.626 -6.460 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 -9.021 7.705 11.547 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 -0.423 1.767 -0.230 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 -12.605 22.199 2.348 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 2.077 13.992 0.198 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 -4.479 3.846 -2.742 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 10.969 -1.302 -6.234 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 0.747 -2.909 -4.277 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 1.404 -0.631 3.414 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 -4.181 2.947 0.375 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 -9.383 32.470 -6.154 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 -0.174 -1.828 2.611 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 -29.501 -12.678 -16.928 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 11.030 1.729 6.764 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 -3.201 -1.490 -2.970 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 -3.675 -8.311 -40.878 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 17.761 15.574 9.719 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 5.069 -2.593 -3.626 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 10.803 -19.438 -1.350 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 6.714 16.680 4.877 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 -4.535 0.736 1.084 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 5.367 -18.378 -8.938 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 -6.523 3.059 -0.359 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 2.590 -1.652 3.130 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 -19.410 2.762 11.094 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 19.412 -0.257 6.408 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 -1.043 -3.750 3.721 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 -20.677 -2.111 10.432 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 -3.412 -20.975 -3.003 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 -2.802 3.723 -1.132 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 10.563 -2.987 0.934 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 -9.017 1.658 3.873 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 -7.041 -2.290 0.059 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 13.099 -13.358 -9.333 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 24.938 -17.882 5.245 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 -5.891 3.923 7.004 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 8.500 -0.284 17.842 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 -14.780 18.819 0.750 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 2.232 -4.610 -0.277 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 2.874 1.713 0.371 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 -8.091 -5.551 -35.757 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 -9.052 5.200 -3.600 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 -5.285 3.657 -5.317 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 25.123 -21.977 -7.216 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 -2.282 4.355 1.737 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 -7.999 12.781 4.895 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 9.296 5.402 -12.414 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 3.552 -1.333 1.533 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 5.713 -10.548 1.179 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 3.100 -0.426 1.459 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 3.107 0.724 4.037 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 7.110 -7.441 -9.029 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 -14.546 7.495 25.812 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 2.034 -0.689 6.267 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 11.765 4.154 -5.876 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 14.335 4.561 9.582 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 -1.423 3.225 4.531 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 12.205 1.044 -1.390 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 15.475 12.724 -16.241 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 1.145 -2.242 0.614 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 12.884 7.140 -6.580 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 -22.512 3.177 8.177 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 -3.270 -9.498 9.604 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 -13.943 -7.277 4.033 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 -25.622 -0.162 -10.633 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 5.054 3.824 -3.181 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 9.532 19.059 -7.717 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 -2.552 -8.930 4.467 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 -5.336 -1.543 2.114 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 1.916 -6.460 5.722 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 -11.523 0.261 -4.027 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 0.823 3.717 -3.589 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 -6.724 5.826 -4.538 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 -7.296 10.547 -11.484 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 -5.363 3.358 -8.196 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 5.295 2.884 3.112 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 -2.377 0.498 -7.985 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 5.619 -0.722 -2.517 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 2.565 -2.516 -4.322 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 0.094 7.577 -9.448 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 -0.140 -0.142 0.581 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 13.724 -13.858 -1.053 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 16.184 -14.713 -0.426 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 2.727 0.804 0.034 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 -33.604 -3.888 6.027 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 -19.511 -5.284 11.767 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 -3.304 -2.991 -1.311 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 4.791 1.172 7.931 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 24.479 3.865 -15.366 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 2.930 -5.678 -4.126 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 -17.004 -11.161 -13.332 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 -16.305 -20.239 -3.643 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 1.879 6.606 4.627 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 8.719 9.248 5.875 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 -24.045 -4.067 18.725 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 -0.035 1.399 -2.962 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 -5.796 -4.375 -0.991 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 -3.335 -3.235 4.862 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 -1.636 -2.175 -2.408 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 3.785 -10.277 -21.550 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 13.409 18.723 1.813 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 7.797 3.160 0.061 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 6.507 -7.815 -2.732 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 9.913 20.062 3.615 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 -4.831 6.351 -3.049 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 -1.575 23.531 8.517 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 -3.112 -8.719 -15.434 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 0.988 1.147 -1.402 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 1.007 3.870 -8.760 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 11.568 -0.273 -5.798 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 1.405 -1.334 0.129 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 -21.526 1.562 -21.646 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 19.543 -2.912 17.859 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 7.894 -3.166 -11.614 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 7.069 -11.855 -11.485 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 -1.530 2.294 16.672 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 0.781 0.400 -2.601 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 -3.723 -0.873 0.347 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 4.229 3.039 1.973 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 -4.209 -5.019 -0.044 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 -3.450 -7.211 1.009 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 -12.320 -1.001 1.563 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 -3.242 1.727 2.724 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 -7.933 1.962 1.544 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 -7.160 10.218 -6.033 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 -1.263 -5.936 -4.819 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 -3.974 -12.169 -15.830 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 2.822 5.233 -9.071 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 1.264 -1.381 2.230 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 10.082 17.934 1.588 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 -5.613 1.586 -2.538 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 -4.592 -2.285 -1.646 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 -8.277 -4.844 7.874 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 6.193 -5.063 6.382 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 -4.494 3.887 -0.170 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 -24.505 35.084 0.735 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 2.534 -4.075 -19.238 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 12.701 -4.238 0.138 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 0.025 10.438 5.579 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 14.449 -5.926 -0.782 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 -2.951 -0.233 -3.308 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 -1.223 -3.581 1.281 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 -9.697 -9.030 -0.294 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 -2.711 -6.341 -2.216 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 -29.123 -3.135 -0.133 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 1.118 -5.028 -1.474 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 -2.874 -4.502 -2.461 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 -14.254 -22.959 -6.982 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 -8.353 -1.562 16.690 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 0.093 -3.454 -0.121 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 15.728 10.751 7.888 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 -32.651 11.276 -5.396 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 -4.083 0.813 2.086 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 -7.971 3.623 13.760 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 -24.175 4.601 17.461 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 0.926 3.782 -1.188 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 6.215 3.055 -1.712 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 17.182 -13.422 9.622 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 7.881 -1.451 1.304 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 -5.420 -6.177 7.524 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 17.461 5.267 4.138 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 0.678 2.542 3.965 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 -10.822 5.390 -8.783 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 2.222 2.762 1.672 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 -2.504 1.773 1.143 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 -0.509 6.347 -3.773 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 14.298 5.235 -31.342 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 0.374 0.521 -5.443 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 1.585 5.323 9.516 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 13.281 7.692 0.596 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 6.881 0.389 2.726 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 4.564 9.069 -2.677 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 8.993 -15.034 -14.082 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 -6.943 2.891 3.118 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 2.975 2.768 -6.490 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 -0.937 -4.782 13.092 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 -3.077 -0.739 6.184 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 -9.151 -5.154 3.892 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 -1.357 6.316 0.367 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 6.870 3.118 0.060 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 -1.491 -5.311 9.190 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 6.565 1.452 -0.398 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 -4.501 0.243 -8.132 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 -18.831 -3.566 -28.544 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 -10.372 -7.197 -15.239 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 0.972 -0.223 -3.065 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 -5.869 -12.291 4.953 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 -9.813 4.195 -4.038 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 -5.889 1.193 5.177 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 -14.604 -8.745 7.911 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 -5.179 5.596 -17.415 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 6.212 -0.480 2.657 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 -16.755 -9.538 0.561 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 3.103 -1.452 2.061 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 0.970 5.306 -0.325 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 2.605 1.595 -1.596 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 4.742 8.379 1.179 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 12.734 -2.648 -0.520 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 13.752 -0.539 -1.224 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 24.454 -2.653 4.508 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 0.372 5.234 0.952 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 -17.576 27.452 -0.733 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 16.614 9.136 16.238 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 2.741 -5.620 -5.373 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 27.276 3.742 -5.843 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 2.708 15.934 -7.622 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 1.297 -0.313 0.599 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 -2.799 -2.694 -0.983 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 -4.798 -3.686 -0.664 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 -3.188 -1.389 -4.131 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 -7.226 -8.826 4.510 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 -1.207 7.700 0.419 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 5.839 -0.702 8.502 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 -4.932 -1.270 11.701 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 9.475 0.597 -7.290 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 -1.446 4.506 -2.306 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 5.814 9.725 7.652 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 3.948 6.595 -13.193 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 -2.291 -7.002 4.996 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 15.950 -9.579 7.628 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 -3.202 7.516 -8.661 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 1.005 0.226 4.307 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 3.648 -3.823 -0.458 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 -15.346 7.487 1.817 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 -0.470 -1.919 -0.668 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 -0.019 -3.207 -0.561 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 -0.283 -0.888 2.358 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 3.841 -3.539 -1.122 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 -6.061 9.769 -8.390 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 10.186 -4.886 -0.156 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 -6.900 -5.390 -1.738 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 1.546 -8.252 -6.428 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 -5.236 -2.731 2.712 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 3.705 -1.482 1.641 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 -3.957 -12.341 6.544 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 0.736 -5.745 3.875 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 -7.225 7.416 3.047 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 3.803 4.853 -6.515 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 -12.132 -13.688 12.987 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 1.768 2.175 -1.407 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 -7.323 1.387 -2.085 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 4.395 8.062 8.921 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 7.571 -3.305 -0.653 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 16.174 6.163 5.115 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 -3.848 -4.951 -8.986 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 -2.376 -1.465 -2.961 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 -2.939 -8.541 2.739 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 -20.226 6.804 14.844 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 1.650 1.423 -1.047 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 -4.222 6.163 -4.508 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 12.770 1.602 -2.741 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 -1.850 -0.078 -2.265 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 5.778 11.152 -8.820 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 15.537 17.176 -22.283 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 -3.063 -8.558 -2.671 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 -20.008 9.734 7.256 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 -8.865 -7.221 -2.497 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 3.023 -6.211 0.250 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 3.106 6.374 4.813 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 4.261 2.117 3.899 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 3.497 -3.701 -4.883 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 11.812 -0.126 -9.657 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 4.965 -12.384 -1.699 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 3.476 2.617 0.319 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 0.947 0.822 -19.512 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 6.216 -12.956 14.323 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 7.172 3.233 -0.018 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 4.579 5.329 -2.884 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 17.133 -32.821 40.926 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 -5.038 -3.383 -1.936 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 8.555 -18.240 4.804 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 -14.132 -7.626 -16.980 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 0.827 -4.977 0.434 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 -17.759 3.348 -3.190 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 -9.403 0.735 19.118 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 0.744 -4.082 1.422 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 -33.171 -11.942 -7.813 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 0.481 4.054 -6.631 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 3.038 6.364 -0.246 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 4.698 8.416 1.782 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 3.142 -0.531 2.079 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 7.019 -6.498 -2.907 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 0.824 2.447 18.310 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 18.543 -32.394 -10.469 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 12.577 -3.241 1.511 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 -28.910 8.153 21.194 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 11.292 -9.285 -10.430 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 -5.398 -1.778 2.492 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 0.914 -3.835 4.645 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 22.117 -7.400 13.003 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 3.261 -4.217 0.772 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 -6.184 -14.616 -17.542 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 -3.136 -15.740 18.314 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 0.867 -4.756 3.630 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 12.028 -9.921 1.789 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 2.231 1.585 -23.912 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 1.606 2.048 0.292 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 10.304 -9.928 24.889 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 -7.637 9.994 -16.320 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 1.456 -5.494 -0.266 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 0.852 10.342 33.287 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 5.280 -11.809 -23.785 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 8.404 2.058 -4.385 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 19.460 -19.978 1.921 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 3.055 -18.787 -5.216 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 -1.498 -2.345 -2.087 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 4.611 14.937 -2.854 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 7.287 -6.361 -1.770 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 -0.099 -2.965 -1.186 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 -7.233 -3.533 15.093 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 4.160 -21.272 6.346 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 0.435 4.416 -7.096 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 -1.096 -13.216 -16.644 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 -13.560 4.919 -3.600 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 2.255 0.823 1.078 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 10.835 4.843 -3.796 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 -2.128 11.880 6.809 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 -2.218 -0.088 -4.276 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 -14.842 -5.398 -1.958 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 -21.477 13.191 -19.786 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 1.763 5.093 3.813 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 2.348 -1.815 1.179 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 -10.446 -25.255 8.380 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 -4.424 -5.340 7.202 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 -30.220 18.063 19.061 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 -39.981 -0.540 -5.577 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 1.518 -5.627 1.212 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 -5.607 -5.357 -3.741 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 -1.493 -8.626 -3.200 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 -0.432 10.724 -1.667 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 2.935 15.821 -9.855 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 2.274 13.235 -3.959 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 -0.597 -4.390 -0.845 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 1.337 -4.371 -4.511 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 -8.707 5.512 7.130 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 1.587 -3.713 -11.152 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 9.899 -4.203 -0.427 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 10.653 -3.482 0.045 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 -0.802 1.092 -4.027 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 -18.854 -16.125 15.892 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 -16.958 -4.324 -33.290 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 -9.636 -5.245 0.042 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 -10.373 -0.424 14.609 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 -11.173 9.712 46.126 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 -3.126 -1.471 -2.445 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 -3.321 -0.196 -1.955 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 0.996 0.843 -1.821 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 4.765 -1.072 1.020 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 -7.692 -7.748 6.259 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 15.537 -11.491 -4.244 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 -8.891 5.465 3.307 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 -12.221 5.202 -15.508 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 -20.189 -17.144 10.249 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 4.144 -0.926 1.643 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 6.671 18.490 -17.238 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 -18.119 -15.945 -14.385 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 -1.091 9.497 -0.554 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 6.174 3.602 -10.558 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 -11.305 1.572 -15.522 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 -1.746 -0.338 5.589 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 -1.220 -9.397 -16.212 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 17.942 -10.132 10.798 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 4.673 -1.074 -4.112 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 6.586 -0.465 -3.011 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 3.211 8.199 -7.444 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 -1.230 0.569 6.211 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 -1.527 11.321 0.136 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 11.986 11.964 14.547 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 -0.792 4.416 -2.604 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 -10.775 14.755 -23.827 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 -15.013 6.777 -10.300 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 -6.581 -0.492 -5.627 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 -16.410 4.239 -9.742 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 15.615 -14.511 7.589 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 5.675 -0.341 1.151 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 10.059 -3.646 28.449 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 -8.025 8.223 20.309 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 -10.003 4.879 0.424 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 -26.667 24.548 -12.542 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 -14.226 -17.301 -11.651 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 0.000 -6.663 -2.058 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 6.119 3.748 -3.460 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 -5.511 1.746 -7.183 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 4.202 -5.965 -0.251 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 -17.656 -9.774 -10.853 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 12.437 19.805 -4.440 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 4.692 2.260 6.708 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 4.384 13.251 7.415 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 21.483 -10.965 -8.600 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 -0.051 6.258 -8.807 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 -12.975 5.889 -5.445 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 3.459 7.727 -24.919 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 -2.007 -1.910 0.946 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 1.952 -6.793 3.152 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 1.510 3.371 1.286 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 -3.009 -3.595 -0.044 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 -9.278 1.385 -0.109 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 9.810 -12.291 4.961 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 3.379 0.510 -4.009 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 -14.508 -11.365 -17.918 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 1.321 -8.502 -2.798 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 0.556 6.307 2.953 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 -7.074 -8.832 -6.633 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 -5.532 -4.167 6.290 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 -0.437 -0.745 -1.783 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 3.221 1.769 -10.724 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 5.633 -9.719 3.708 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 -0.223 -5.752 1.393 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 -1.504 -14.145 -0.986 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 1.084 -3.566 -1.865 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 -5.854 -3.636 4.768 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 25.829 2.446 -13.844 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 1.225 6.383 -5.805 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 6.768 -0.004 -1.925 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 21.959 9.932 -21.393 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 -2.190 12.315 22.635 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 -7.643 1.466 1.076 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 -11.484 -9.639 -5.342 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 7.539 -10.853 0.343 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 -1.909 2.996 1.156 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 -6.112 -2.329 1.599 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 -1.953 4.296 6.691 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 -5.117 4.367 -1.577 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 2.967 13.096 18.666 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 14.284 20.473 -16.912 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 -6.824 -6.875 -0.528 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 -26.672 10.067 -14.623 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 17.323 6.793 13.069 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 0.110 -4.490 -1.424 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 17.801 8.078 -0.130 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 -2.910 -8.941 4.145 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 -5.389 -3.777 -6.523 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 -13.905 -4.501 -0.460 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 14.041 5.868 19.084 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 -0.647 -1.249 1.599 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 19.577 7.319 -33.588 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 -39.110 11.006 -6.223 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 -1.156 -4.867 0.122 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 0.709 -21.772 -4.872 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 28.079 -33.005 13.082 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 -10.311 -1.728 -7.655 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 -14.059 0.870 -13.485 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 -21.248 -6.827 -3.201 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 -3.458 -0.640 -4.692 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 -7.430 6.633 11.154 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 12.289 -26.276 -27.025 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 -4.566 2.160 -0.835 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 -0.370 -4.496 21.753 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 15.618 3.443 -3.979 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 5.115 -1.250 -2.629 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 -10.502 -4.773 -6.057 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 5.676 12.498 -14.921 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 2.330 1.133 0.081 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 -35.118 7.996 15.589 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 3.692 -0.792 -4.974 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 3.007 3.217 -4.016 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 10.586 9.139 -9.431 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 1.659 5.698 7.804 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 1.670 -0.191 -1.055 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 -3.555 2.924 7.909 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 -1.729 17.677 15.568 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 -3.334 -1.249 2.285 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 -11.568 10.960 19.960 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 0.567 -2.248 -7.852 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 -1.842 -3.516 -7.350 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 -5.570 6.910 18.532 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 -14.374 -16.012 -3.916 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 -2.749 -4.486 -3.687 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 -6.411 -6.733 -8.904 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 10.954 -15.659 7.395 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 1.401 3.235 1.518 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 22.191 2.494 -0.151 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 -9.072 -8.986 -13.742 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 1.792 3.992 7.030 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 -4.453 23.813 3.699 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 -11.582 17.234 -4.515 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 7.668 -4.293 1.630 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 5.829 -15.653 -12.527 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 -8.471 -5.374 9.929 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 1.078 -3.042 -2.040 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 -10.723 13.376 9.850 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 20.227 9.657 -4.864 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 12.116 -1.611 8.105 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 22.006 5.712 -15.957 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 25.738 -26.808 4.145 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 0.750 -0.152 5.895 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 5.178 10.026 16.549 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 -1.817 13.820 10.191 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 -1.005 -0.793 3.570 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 2.197 6.876 2.612 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 0.806 -10.926 -3.471 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 4.666 7.718 -1.896 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 -2.659 -1.956 14.620 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 -3.770 4.266 9.711 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 3.627 -5.780 -2.181 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 -2.313 7.751 4.452 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 -0.415 6.673 4.367 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 -8.103 1.765 1.049 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 4.285 5.841 10.130 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 4.256 9.121 0.874 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 1.478 -4.154 -0.875 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 1.978 3.801 -14.548 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 -7.838 -15.422 -5.845 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 0.734 3.469 0.568 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 6.368 6.370 6.133 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 -5.683 0.618 -2.306 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 11.444 5.341 5.379 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 15.285 1.753 9.986 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 13.848 -2.279 2.043 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 0.093 -5.474 -5.697 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 10.682 -22.284 -0.078 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 -7.627 -0.461 1.224 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 -0.947 5.113 -7.508 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 -10.659 -13.778 3.269 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 6.009 17.613 -15.889 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 2.961 8.556 2.387 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 -16.799 -0.075 -6.021 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 9.118 10.378 2.870 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 -2.786 -6.271 -4.229 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 22.089 10.076 -8.692 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 -0.764 -35.228 10.416 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 2.925 1.172 -1.403 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 14.120 17.183 18.430 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 -3.508 3.491 3.043 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 -5.005 0.173 3.726 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 10.469 6.327 2.899 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 -25.740 1.140 7.806 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 -1.128 -0.309 -6.483 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 -14.601 -3.475 -1.275 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 16.674 -9.510 -10.047 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 3.479 -0.443 -1.713 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 3.546 1.559 -14.647 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 12.555 3.192 -19.711 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 -2.058 0.102 5.368 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 -1.899 4.273 7.345 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 0.519 -29.114 -4.374 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 3.900 0.622 -4.668 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 8.137 -15.200 -1.896 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 -0.472 27.306 -5.509 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 9.866 2.889 1.087 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 18.568 15.237 -7.928 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 -5.088 -15.285 1.182 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 -0.645 -3.545 0.055 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 22.622 40.487 16.928 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 -5.563 -18.027 22.729 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 -2.355 -0.753 -0.043 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 -4.726 -0.467 -8.720 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 1.001 -1.995 -0.304 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 3.629 -3.039 -5.035 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 7.302 -27.962 13.518 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 -11.275 17.839 0.785 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 11.838 1.489 5.737 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 -9.512 -10.439 9.865 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 -5.214 -8.369 20.958 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 4.266 -3.479 3.043 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 36.899 -1.033 31.543 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 -2.836 -3.401 -6.118 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 1.384 4.376 6.413 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 -3.106 12.119 -4.472 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 25.975 -18.364 1.952 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 1.582 0.298 -2.435 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 -10.192 14.761 1.447 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 -23.635 15.133 17.345 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 -3.862 -2.226 3.434 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 -23.504 -2.708 17.269 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 4.731 -25.906 -2.284 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 1.327 -0.145 -1.058 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 15.907 1.997 -23.481 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 -6.435 -21.400 11.502 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 0.059 -6.032 -0.342 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 -5.863 -9.446 -15.226 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 -3.159 5.466 -18.737 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 -8.004 5.236 -5.273 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 -2.244 14.515 -29.734 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 13.123 -7.620 1.368 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 2.917 0.697 -3.253 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 1.482 16.203 9.138 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 1.458 -24.413 -19.054 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 -0.709 5.768 -4.465 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 31.876 12.908 26.536 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 26.937 -2.066 7.902 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 -3.716 4.987 -1.866 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 2.170 -7.153 5.501 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 -3.939 9.444 0.875 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 -2.402 10.075 -3.542 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 -13.752 9.330 8.981 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 10.141 9.035 24.917 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 0.132 4.447 -2.165 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 4.104 3.056 -2.217 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 1.956 8.104 -2.645 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 -7.011 0.209 3.285 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 -16.601 16.336 -1.425 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 13.070 12.042 -1.885 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 5.641 7.573 6.710 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 0.142 1.312 6.402 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 9.195 -9.514 10.814 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 4.437 0.940 7.674 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 3.706 5.986 -8.740 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 11.511 -0.281 14.154 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 -1.050 -4.303 -3.702 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 -0.954 -7.354 2.667 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 -8.873 -5.180 -7.570 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 -3.292 4.527 -1.479 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 -15.801 12.011 -3.741 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 14.092 22.018 -5.108 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 -4.569 2.740 5.201 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 7.033 -7.949 1.598 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 5.358 20.719 -21.569 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 -0.513 -4.837 -3.539 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 1.042 -6.262 -0.563 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 3.677 1.496 -4.320 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 3.733 0.441 1.745 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 7.589 6.401 5.686 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 2.385 -8.800 -1.151 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 -3.124 -1.900 8.701 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 3.181 -4.475 3.025 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 -14.495 -0.820 6.554 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 5.332 5.087 -6.405 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 15.726 -1.124 -3.128 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 19.813 2.436 -2.653 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 -1.513 -2.409 3.264 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 9.909 -4.295 -1.495 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 -6.606 -2.268 7.305 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 9.227 2.955 0.035 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 11.654 -20.997 3.912 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 9.272 6.530 -7.101 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 -5.373 2.661 5.028 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 40.353 13.347 16.768 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 -10.936 11.392 -9.583 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 2.701 1.553 -6.286 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 -4.353 5.894 -6.027 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 28.704 -6.729 -1.668 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 1.468 4.005 -4.954 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 -20.993 7.947 -11.409 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 0.135 25.870 -12.127 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 -9.597 1.107 -1.272 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 -3.072 -0.913 5.857 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 -8.467 0.472 0.482 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 -2.639 1.828 -0.188 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 1.134 9.182 -11.429 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 -18.707 -4.370 -0.349 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 -1.411 -2.835 -9.035 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 13.053 16.989 -24.551 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 2.347 0.630 -20.908 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 -2.348 7.426 -8.011 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 -12.055 0.746 -1.954 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 4.722 23.558 -0.062 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 2.318 -0.269 7.214 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 -6.469 0.796 -7.795 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 -8.232 4.351 -4.095 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 -1.101 1.077 -0.371 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 -12.427 -6.794 8.294 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 12.898 -13.058 -4.343 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 1.941 2.235 -3.318 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 -31.044 11.011 -7.042 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 -21.090 3.771 -15.412 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 -1.216 -2.102 -7.611 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 -3.762 -16.234 -1.555 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 7.276 -7.820 -0.459 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 4.513 -2.422 -5.440 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 0.586 5.584 -13.887 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 -6.640 -10.480 -4.755 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 -3.338 3.944 -6.909 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 -4.063 1.811 -13.732 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 5.801 -4.681 -5.467 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 4.086 -1.109 -0.195 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 7.102 -16.616 -14.878 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 -22.460 -0.542 26.105 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 4.241 3.914 -3.273 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 -9.886 6.983 5.188 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 -0.352 -0.911 -18.695 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 -0.926 1.076 -0.809 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 -14.741 13.625 -5.301 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 7.415 -2.708 -0.894 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 -1.088 -6.084 4.166 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 11.137 -9.689 16.721 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 -9.154 -23.433 -4.045 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 6.668 -4.342 -1.464 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 -15.945 -8.595 -1.827 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 1.827 -1.985 -21.136 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 -2.342 -0.362 -0.265 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 12.404 -24.336 -19.845 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 -17.288 20.213 14.447 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 -3.690 -3.788 -0.084 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 -11.372 8.159 -28.007 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 13.641 33.228 3.288 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 1.161 1.825 -2.786 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 -14.227 10.942 -4.722 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 3.737 -3.865 -19.182 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 -0.459 -7.943 5.160 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 14.119 -22.279 3.989 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 -35.887 10.659 21.279 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 0.767 3.393 -0.073 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 4.317 9.273 4.913 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 11.528 -4.352 -13.195 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 5.880 0.067 5.640 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 11.460 7.494 5.468 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 -6.155 -7.670 -1.404 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 -1.359 0.448 1.918 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 -17.662 8.988 7.360 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 26.660 -2.751 -11.990 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 3.731 -0.182 1.786 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 6.105 2.464 17.437 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 -2.383 -2.725 -4.421 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 8.176 -4.101 0.013 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 -1.122 -5.935 -3.883 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 13.196 1.702 3.023 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 -0.043 2.489 2.626 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 13.272 4.759 -14.165 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 -12.354 9.464 -1.893 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 -0.634 0.655 1.714 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 -4.398 8.554 13.213 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 11.418 -0.398 0.184 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 -3.557 -6.615 -3.634 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 -15.672 -0.003 17.115 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 -5.742 13.675 10.666 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 -1.849 0.341 7.164 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 -3.000 6.268 -0.489 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 -6.148 10.275 -17.698 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 0.369 -0.378 1.976 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 -15.137 5.247 4.125 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 9.569 12.145 -7.650 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 -2.967 -3.320 3.960 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 1.953 -12.556 13.873 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 -31.060 9.280 3.895 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 -2.001 -7.345 -1.936 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 3.008 4.276 -11.526 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 -1.056 -6.260 -3.277 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 -0.075 3.409 0.909 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 13.953 2.276 -4.080 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 15.459 -9.987 -16.296 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 -2.757 -6.883 -2.196 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 -12.131 -9.495 0.279 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 15.812 -3.171 0.413 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 -0.524 -5.240 3.900 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 -17.872 -1.087 -2.071 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 -1.357 -4.151 0.391 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 -0.969 -5.324 -4.010 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 -33.098 -15.195 -15.703 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 24.620 6.868 -11.440 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 -0.039 -3.831 2.750 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 1.177 -14.276 -5.677 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 1.285 1.648 13.779 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 -7.178 -0.740 7.539 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 -5.191 -2.506 0.459 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 3.198 -18.522 -1.966 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 3.681 1.587 2.788 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 -2.052 -18.549 10.035 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 -1.361 12.261 11.059 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 2.576 6.450 -0.964 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 11.258 2.081 1.630 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 0.103 -3.067 -17.694 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 -2.645 3.817 -0.165 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 -15.896 5.288 3.798 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 16.268 -4.363 7.770 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 -7.114 -3.975 0.237 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 -6.216 -5.140 1.045 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 -7.195 -6.408 1.495 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 -5.392 -5.922 -2.174 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 11.537 -12.063 -3.847 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 -2.308 -7.665 -12.555 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 0.149 7.470 0.561 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 8.909 1.936 -10.398 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 8.004 7.539 -10.141 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 -0.919 3.296 -4.573 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 -4.594 -13.258 10.555 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 -8.657 -3.897 -2.406 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 0.513 -5.289 0.397 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 12.806 -9.671 12.563 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 -3.031 19.211 4.499 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 0.708 -1.064 4.031 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 5.289 -12.365 23.956 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 21.494 1.144 13.814 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 5.256 0.282 1.981 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 -9.555 9.792 24.397 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 23.165 -8.075 -0.960 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 -3.330 6.856 3.266 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 1.939 26.033 -13.810 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 -2.156 8.600 0.698 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 -2.742 -0.673 -1.365 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 -7.374 -5.836 9.827 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 -12.752 6.144 4.670 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 -3.302 -6.550 -0.553 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 -24.224 -31.463 -0.373 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 3.622 -22.970 -14.006 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 -2.877 3.058 -7.815 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 21.008 -19.070 -8.149 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 2.297 -1.573 -5.151 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 -1.678 4.835 -2.526 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 -12.939 17.189 -2.757 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 9.781 -8.988 0.428 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 0.594 1.937 -1.872 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 -11.369 16.924 -0.324 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 3.116 3.346 -17.661 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 -2.447 -7.169 -1.362 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 20.170 -8.851 3.590 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 2.834 9.023 -23.319 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 -4.817 -1.359 6.988 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 1.826 -25.155 -11.533 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 -18.917 15.711 -0.993 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 -1.930 2.959 0.348 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 -16.273 1.875 3.169 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 15.595 2.168 -27.726 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 2.132 1.057 -5.909 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 -3.471 12.684 1.252 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 -4.116 15.762 1.407 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 -3.500 -4.684 5.628 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 16.202 10.234 3.946 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 -13.375 2.678 -0.115 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 3.094 6.154 -0.858 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 8.309 -1.658 -7.670 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 0.849 -8.847 -3.652 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 4.776 5.382 -4.036 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 14.656 3.749 18.335 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 16.948 5.561 -17.747 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 4.853 3.103 -3.182 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 1.607 10.797 -1.532 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 3.035 -1.115 0.141 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 -9.573 -1.366 0.735 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 -6.501 -8.182 4.392 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 -1.392 -6.687 8.103 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 2.043 -1.927 -6.061 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 -2.828 -4.824 -13.218 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 12.210 11.530 0.452 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 3.070 -9.148 3.248 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 4.087 27.192 -4.347 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 -8.450 -12.197 12.957 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 0.780 -0.549 2.752 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 0.939 4.023 4.615 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 -1.635 -0.973 -11.188 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 0.553 -2.840 2.442 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 2.460 2.156 -12.828 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 3.820 -4.936 -4.928 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 3.527 7.935 1.154 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 0.131 -27.739 -19.760 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 2.298 2.372 -6.279 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 -11.367 8.263 4.090 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 -5.958 2.134 -1.308 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 -17.898 2.632 5.035 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 6.770 -2.305 -2.954 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 7.728 -18.721 6.065 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 -10.045 -0.957 5.979 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 1.347 2.579 -1.030 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 -0.737 -8.079 -12.904 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 18.691 30.723 7.039 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 2.790 0.491 -0.883 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 4.812 -30.516 8.542 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 -5.305 27.401 -13.133 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 -3.952 -6.283 0.743 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 14.438 17.171 9.701 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 -11.157 -10.228 -2.986 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 -7.610 -0.355 5.431 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 -0.970 -3.359 4.579 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 -11.941 -0.020 6.080 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 10.034 0.215 -2.389 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 17.851 13.961 -8.913 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 14.137 9.483 -11.122 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 -2.945 -7.581 -0.247 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 -5.705 -5.730 9.332 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 2.079 -16.415 -14.647 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 0.844 6.192 -3.806 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 10.430 -16.901 0.994 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 5.008 -8.041 -2.804 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 1.794 -1.001 5.760 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 10.518 13.265 -4.392 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 7.114 8.629 -13.855 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 0.641 2.573 3.773 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 -3.289 3.060 -0.873 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 0.300 -0.278 1.874 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 1.005 -1.840 -2.653 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 -10.753 0.588 4.952 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 11.147 11.995 -5.622 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 -2.881 9.941 1.603 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 5.756 -1.207 0.968 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 -8.159 15.539 -1.420 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 3.143 1.195 1.848 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 7.019 2.184 1.737 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 -4.496 -0.200 -17.205 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 3.952 -3.482 1.450 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 12.946 13.101 -11.272 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 -16.521 -2.580 -5.199 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 3.031 -0.444 -2.581 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 -11.939 -4.266 -12.475 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 19.111 3.168 3.805 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 0.182 -3.428 -4.810 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 6.992 -19.347 9.154 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 -19.159 -5.063 -7.100 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 0.248 3.509 -0.577 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 13.018 3.397 1.231 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 -1.235 8.617 -10.909 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 3.588 1.568 3.174 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 0.451 5.870 3.380 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 5.350 7.255 8.666 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 2.146 -4.894 -1.077 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 -21.060 -14.751 9.594 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 22.619 7.155 -7.846 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 3.410 0.151 0.662 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 -16.821 5.784 13.037 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 20.865 3.143 0.153 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 3.758 1.509 -4.063 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 -3.171 12.960 -17.337 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 2.828 -6.520 9.888 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 1.347 -3.160 -0.178 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 -0.762 19.502 -2.825 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 8.133 -38.151 -0.546 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 -2.716 -1.643 -9.260 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 15.019 6.147 -6.281 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 -12.305 13.002 -8.451 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 -5.077 -0.421 2.461 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 -8.019 -15.675 -2.624 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 6.473 5.143 -8.729 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 -0.036 -0.622 -0.893 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 6.236 6.930 7.785 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 0.656 8.544 -16.432 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 2.007 5.649 -3.792 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 12.161 11.903 7.018 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 1.197 4.487 13.228 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 0.399 8.109 -6.649 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 -1.097 0.291 1.795 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 -0.373 2.056 -7.271 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 -3.669 1.797 1.944 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 0.472 -16.866 -18.276 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 24.629 22.094 21.138 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 4.287 -2.089 0.306 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 8.259 -9.297 0.830 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 6.630 -9.455 18.266 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 2.975 -2.192 -0.165 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 -0.805 -4.622 -4.144 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 3.265 3.030 -0.103 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 -0.988 -7.980 0.598 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 4.454 15.377 -9.225 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 -16.403 -14.921 6.472 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 -1.883 -6.954 -3.250 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 9.413 0.047 -4.386 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 -11.141 -1.358 4.747 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 4.107 0.587 -0.909 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 3.335 -1.487 2.598 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 -1.577 1.683 7.649 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 -3.054 2.309 -1.520 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 1.135 0.094 1.306 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 -2.558 5.058 -6.439 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 -5.540 -1.125 -2.213 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 1.658 -0.109 12.575 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 -20.124 5.872 0.187 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 0.934 -4.515 5.410 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 12.001 -3.211 -8.219 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 7.059 -17.609 14.986 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 -1.508 -0.722 -2.632 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 -0.091 14.308 -2.663 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 9.366 -16.485 1.352 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 -2.017 0.098 3.310 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 -3.447 -1.653 -5.348 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 0.138 -7.190 2.516 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 -3.441 6.957 3.487 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 0.541 20.487 5.961 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 3.560 1.188 9.473 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 -2.449 4.951 -0.082 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 -3.263 40.505 8.013 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 -24.655 2.904 -20.775 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 -2.753 -10.939 0.381 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 -20.525 2.967 19.465 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 16.336 -14.072 8.137 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 0.845 0.237 0.589 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 -2.532 -14.792 4.390 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 8.098 8.876 -0.312 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 -2.022 -4.333 2.798 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 -11.363 -7.149 -4.395 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 -5.813 3.676 -15.197 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 -5.070 -5.453 -1.038 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 -10.988 -11.397 4.471 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 -3.281 -4.625 -5.405 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 -0.368 -4.817 1.310 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 -1.334 -3.864 5.877 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 -5.910 -1.784 41.929 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 -0.012 -4.083 1.805 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 0.206 7.149 1.980 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 -0.547 -6.590 6.266 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 -2.619 -6.671 0.164 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 -0.215 -9.296 -14.302 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 4.782 -32.020 -21.292 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 -0.208 -2.496 0.336 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 10.170 -21.352 19.131 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 -14.272 14.008 16.060 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 2.221 -0.056 -1.129 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 17.063 0.779 -1.497 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 6.822 -10.349 -4.856 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 1.769 -7.700 0.748 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 0.639 2.841 2.152 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 2.386 -10.536 -19.003 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 -5.910 -5.714 2.863 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 -12.993 4.060 4.884 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 -8.583 -2.754 3.885 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 -6.525 -2.286 -3.334 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 -2.543 -5.893 -2.038 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 -5.158 13.879 1.770 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 7.144 5.516 -0.611 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 12.480 9.732 -11.056 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 3.473 -1.807 7.244 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 -1.688 -1.823 -4.392 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 -2.114 10.012 18.961 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 -14.971 12.663 -21.251 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 -2.456 -3.229 3.121 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 -7.739 10.324 13.093 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 2.430 -2.008 4.423 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 3.947 1.129 5.050 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 -30.284 27.006 -10.225 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 4.512 -10.450 -2.189 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 5.182 1.670 -2.250 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 7.399 15.837 23.898 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 -18.695 13.266 26.128 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 0.400 -0.111 5.797 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 -7.627 -3.194 7.737 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 19.455 -4.312 14.493 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 1.640 5.225 3.484 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 4.705 7.652 2.825 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 1.078 8.666 22.141 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 1.122 -0.150 6.537 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 -1.634 23.203 1.649 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 19.740 10.598 1.901 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 -0.573 5.523 -1.409 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 -4.971 -5.913 11.156 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 -5.359 12.154 14.156 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 4.479 4.134 3.730 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 6.459 15.012 2.468 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 -10.182 -6.487 4.907 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 -8.435 -2.283 2.485 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 -14.694 -6.856 11.274 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 -10.114 -12.002 -3.470 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 -1.723 1.533 -8.213 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 2.073 -1.857 -1.162 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 1.157 4.906 0.064 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 6.725 2.465 0.464 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 2.305 -3.261 2.544 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 17.855 -7.339 -7.484 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 4.037 -2.404 0.536 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 19.003 -1.962 -6.600 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 11.010 14.362 6.756 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 4.338 0.109 -2.705 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 -20.267 17.899 -11.564 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 -14.075 15.021 -9.770 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 -0.279 0.910 -3.098 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 21.021 14.005 20.226 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 27.284 3.904 -14.743 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 -3.374 -2.866 -0.465 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 -10.224 -5.185 -16.767 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 4.524 3.537 16.327 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 -1.755 -3.461 -5.681 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 5.558 1.492 -3.900 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 -18.478 -4.951 12.197 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 -1.815 4.086 -1.926 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 -6.787 8.663 3.816 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 10.760 7.098 -7.306 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 8.773 5.452 -3.918 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 11.348 -6.711 -12.014 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 6.780 -2.630 -10.267 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 2.996 7.073 6.411 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 0.618 12.427 9.161 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 26.109 1.007 -23.921 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 -3.831 -0.106 2.056 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 -2.534 1.417 10.509 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 8.974 -4.382 -11.749 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 -0.793 -0.176 -2.461 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 -14.277 -0.795 -9.575 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 3.844 -13.979 0.324 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 -6.556 -10.635 0.133 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 4.964 9.357 -12.922 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 -8.304 7.936 5.771 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 -5.163 2.577 0.985 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 -7.283 8.289 -14.810 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 5.678 3.170 -4.001 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 -2.613 0.951 4.467 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 24.715 -14.092 -13.716 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 -8.076 -6.918 19.326 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 2.301 -3.181 1.305 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 -3.953 4.487 7.034 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 -4.326 15.450 9.154 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 7.377 -4.188 3.675 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 -7.496 -8.444 -23.843 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 28.771 26.366 -11.203 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 -0.931 1.512 5.023 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 6.057 -3.116 3.494 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 -12.621 -1.916 8.304 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 3.071 -1.646 1.266 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 -6.929 -15.984 -27.272 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 -3.442 -16.552 21.679 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 1.594 -5.500 4.809 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 7.037 7.995 0.638 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 13.976 -12.324 -4.964 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 0.832 -3.454 1.239 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 -25.120 3.579 13.861 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 4.512 12.680 17.303 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 -1.223 -4.116 1.780 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 -4.450 -14.447 -8.105 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 7.809 3.315 -7.145 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 2.549 -5.034 5.937 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 2.712 1.943 0.954 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 -2.012 0.423 9.771 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 -0.572 -2.346 -1.516 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 13.529 -14.884 4.436 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 -7.774 16.655 0.645 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 -10.507 1.635 -0.216 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 -9.844 -5.398 6.791 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 -3.286 3.499 -2.426 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 3.566 0.964 1.929 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 -4.121 -0.822 -24.263 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 17.636 -12.202 1.832 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 2.261 0.823 0.160 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 7.607 -3.022 -4.944 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 1.682 1.872 -1.703 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 3.602 5.515 2.653 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 -2.236 7.868 -13.489 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 1.712 -12.896 3.368 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 -0.909 -4.042 -1.199 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 -2.843 -7.683 2.363 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 -7.181 -1.463 3.921 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 -5.145 -2.932 -3.667 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 -6.026 -4.888 -5.366 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 -6.468 -2.980 -5.827 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 1.828 0.836 0.288 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 11.735 3.339 8.048 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 18.390 10.545 -0.562 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 -5.815 -5.481 0.490 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 -5.094 23.092 -19.204 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 -4.118 14.532 -15.543 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 -0.803 -10.010 -5.815 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 -0.561 -2.977 -0.729 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 -0.005 -4.398 -15.960 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 1.244 9.398 5.969 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 7.350 14.315 0.716 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 15.144 3.106 2.483 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 3.039 -1.614 4.104 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 -17.455 -17.827 1.051 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 3.077 -3.717 2.463 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 4.560 0.032 4.430 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 4.243 -3.073 -7.831 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 15.755 -5.022 6.508 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 3.735 -5.212 2.692 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 8.961 -2.133 -3.292 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 -5.646 -4.224 4.902 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 1.390 1.329 2.944 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 -8.475 -0.715 8.089 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 4.269 -6.561 16.416 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 -7.169 0.828 4.483 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 6.091 10.205 0.597 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 -0.534 11.466 32.441 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 1.443 2.826 7.792 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 6.066 -10.660 -7.809 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 -0.489 -0.488 3.936 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 -0.502 -2.525 4.116 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 11.677 1.859 -41.984 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 15.442 -0.001 -10.244 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 -4.493 3.638 3.330 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 17.079 5.317 -23.015 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 7.844 4.288 -25.616 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 3.601 0.616 4.660 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 13.705 6.393 -17.603 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 -11.193 -5.480 8.653 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 1.225 3.634 -1.277 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 15.994 -8.071 -18.354 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 -7.197 -16.228 8.068 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 5.069 0.275 -0.598 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 5.328 0.702 13.911 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 5.367 -1.133 -4.455 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 -3.325 -0.122 0.154 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 -8.135 -1.794 0.752 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 -13.226 0.093 -0.456 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 6.578 -3.516 -1.987 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 8.075 2.871 -12.368 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 1.298 -8.789 -3.850 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 -0.072 0.025 2.157 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 -9.659 -12.316 -1.275 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 -1.310 6.171 0.387 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 9.271 -1.302 6.592 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 13.611 -3.524 -2.596 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 7.995 10.683 -7.657 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 3.740 -6.166 1.498 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 -12.761 -8.353 -1.427 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 17.839 0.176 5.353 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 2.971 -4.007 6.510 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 -3.245 -14.366 -8.539 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 1.527 -5.606 1.626 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 -1.516 -1.068 0.215 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 10.136 4.406 -3.378 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 -9.010 9.433 6.620 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 0.291 5.177 -1.206 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 -19.731 -15.925 16.788 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 -1.493 10.158 18.954 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 -2.200 -1.141 -4.412 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 7.573 2.339 2.663 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 -11.181 0.472 -6.618 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 3.833 -0.011 1.681 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 -9.703 -10.220 1.960 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 -17.707 -15.878 3.693 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 -0.757 0.190 7.637 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 4.427 -17.028 -17.682 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 -19.516 -0.695 1.428 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 3.652 -1.881 -5.796 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 8.247 -1.751 -3.898 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 -11.502 0.834 9.462 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 -5.328 0.156 -1.116 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 -11.970 -5.210 -0.324 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 24.157 22.781 -28.226 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 2.985 -2.091 -5.542 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 -0.858 15.283 -6.965 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 20.604 -40.966 28.198 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 4.296 3.895 -1.235 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 4.761 -0.438 -2.064 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 -5.063 3.954 -1.710 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 0.368 3.063 2.419 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 35.894 8.360 -13.323 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 11.641 25.475 -31.676 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 4.409 4.169 3.868 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 6.946 2.037 6.132 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 -2.249 33.833 -20.054 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 2.569 -2.871 3.371 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 3.454 -7.571 3.587 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 -10.000 -18.594 3.903 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 -3.672 -2.525 -2.530 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 15.382 -5.555 -0.897 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 -16.743 -3.098 15.845 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 6.172 -1.747 -2.821 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 -4.663 -3.386 -9.946 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 6.563 8.850 1.413 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 -1.504 1.282 0.625 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 -10.785 16.133 -11.720 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 7.209 28.406 3.052 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 -0.211 -5.335 -5.505 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 14.659 13.924 -7.424 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 19.352 -18.265 0.472 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 -4.297 -1.474 3.246 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 -13.369 -13.905 4.188 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 24.485 -2.045 -1.226 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 -3.411 0.217 -3.645 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 23.254 -2.637 -0.515 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 -23.350 -20.613 14.307 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 0.758 3.011 -2.614 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 -17.755 -13.951 -10.451 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 -2.447 4.268 -11.646 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 4.811 0.063 3.932 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 -8.269 -8.280 -5.404 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 -3.833 8.257 11.926 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 0.707 -0.718 0.786 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 25.112 5.840 -1.031 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 -18.927 -17.358 -7.080 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 -0.947 -1.842 2.390 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 0.420 3.834 -3.324 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 -4.706 -12.969 2.231 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 7.568 -6.274 -5.760 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 -2.287 13.840 -7.334 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 16.375 -5.944 2.725 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 -1.884 4.052 -1.682 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 2.187 12.096 -14.276 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 -3.461 -1.972 1.723 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 -2.024 -2.517 8.461 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 4.388 -1.160 13.763 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 -13.265 5.511 6.435 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 -0.069 -5.375 -2.082 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 4.943 -1.923 13.648 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 9.065 15.044 1.167 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 2.808 -0.309 -0.835 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 2.691 1.343 -4.005 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 3.728 -1.155 1.774 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 -3.373 3.609 -4.948 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 -2.768 -8.694 3.269 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 4.046 11.935 -14.948 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 -3.253 -4.619 -5.400 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 4.939 16.736 11.893 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 7.386 0.216 0.394 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 -0.170 3.034 6.199 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 -7.939 2.457 8.989 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 13.511 8.714 -17.044 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 -1.979 2.295 -0.828 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 25.883 3.567 -14.874 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 -13.766 -12.839 10.402 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 -1.838 -3.696 1.785 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 -15.050 -0.290 34.238 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 -4.767 -1.413 7.646 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 5.999 -1.782 0.774 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 1.546 -4.445 -2.952 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 25.225 6.971 6.524 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 -5.267 -5.341 2.824 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 -4.054 8.220 -2.248 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 -1.593 -11.000 -8.973 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 6.718 5.742 -7.983 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 7.544 0.990 13.690 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 7.092 10.506 2.130 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 0.365 -0.453 -3.887 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 -12.436 -8.090 -6.477 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 0.186 3.710 -4.734 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 3.553 3.335 6.262 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 8.565 5.177 6.623 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 -13.720 -2.522 5.194 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 1.675 -2.613 1.380 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 -3.503 -5.789 -1.409 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 1.405 3.590 -4.922 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 -1.651 0.047 -6.020 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 -3.160 -8.172 -3.406 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 -7.977 -14.357 10.601 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 -8.495 -2.015 -1.609 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 -0.576 3.059 -4.731 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 0.194 4.279 0.473 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 0.475 -10.513 -0.369 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 -0.659 7.646 -28.995 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 13.291 6.731 -9.414 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 -5.305 1.481 0.100 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 3.612 6.564 -12.257 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 -1.262 0.858 -10.958 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 -1.358 3.979 -4.122 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 -7.392 13.429 -20.499 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 7.067 -6.885 17.993 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 3.888 3.521 -9.938 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 -8.844 1.997 -15.582 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 5.014 3.534 -9.230 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 4.341 -0.494 -1.692 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 -0.417 -18.752 -15.831 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 -5.839 1.958 12.045 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 3.524 0.681 3.538 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 3.744 -9.168 8.289 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 3.464 -2.300 5.096 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 5.067 -4.510 0.438 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 -19.558 -34.985 20.519 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 17.519 14.999 -13.542 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 -2.672 -5.149 -0.108 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 -26.476 8.229 0.071 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 14.813 6.789 17.894 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 -3.015 4.935 4.400 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 -15.632 13.345 -7.727 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 3.317 7.219 -5.558 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 0.322 1.789 0.538 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 2.780 -6.254 -18.492 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 9.006 9.131 -0.404 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 -3.469 -6.584 1.525 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 -10.934 2.200 -4.589 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 -7.145 -5.515 15.910 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 3.904 5.339 -3.447 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 7.989 13.964 -9.158 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 -10.151 15.944 21.273 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 -3.227 0.136 -3.121 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 1.687 -20.111 -8.996 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 -5.292 -4.312 -2.242 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 -4.268 -1.655 -8.079 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 -17.952 -1.484 0.316 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 5.721 13.081 -13.399 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 -5.084 2.249 0.989 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 -3.742 -2.299 0.838 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 -6.829 4.178 -21.022 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 2.924 0.430 5.530 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 0.745 5.660 -4.329 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 -7.774 -13.934 14.959 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 4.808 -2.910 9.038 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 -1.809 5.276 -14.738 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 21.629 -1.978 21.310 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 1.628 -3.511 0.620 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 18.879 -15.430 -39.839 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 11.012 1.839 24.901 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 -4.968 -0.365 -2.411 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 -3.077 8.116 7.299 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 -8.211 6.591 14.335 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 3.290 -1.577 -2.955 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 20.016 -9.799 4.816 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 -13.389 -13.409 6.095 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 4.637 0.489 5.642 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 3.240 -9.375 -1.118 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 -6.907 2.472 9.905 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 -2.200 -1.991 -1.722 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 1.547 10.315 -3.412 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 -7.090 -1.516 -1.426 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 3.791 -1.191 7.785 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 -8.879 -12.952 5.041 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 -4.348 -20.731 -4.461 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 0.376 3.170 -4.086 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 -0.311 9.248 -1.364 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 -1.194 9.349 -0.480 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 2.482 -0.197 8.195 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 10.369 -14.511 11.037 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 20.611 -12.631 6.361 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 0.057 4.784 2.428 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 10.529 -1.701 -3.772 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 -0.626 2.659 15.341 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 -0.244 -0.482 -0.237 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 -0.584 8.235 3.327 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 3.125 4.919 4.582 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 2.059 -0.648 -6.593 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 -3.328 -9.935 -0.080 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 4.193 6.951 -10.669 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 -0.795 -0.132 2.794 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 -5.929 1.175 4.708 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 -6.863 1.688 4.775 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 3.868 1.827 -3.293 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 3.138 0.333 -19.778 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 5.359 3.248 4.316 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 -1.585 -5.242 3.769 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 -14.908 -6.642 2.023 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 9.759 -6.242 4.811 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 -1.389 0.972 3.963 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 4.724 1.111 -11.284 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 3.546 -13.542 14.145 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 3.410 1.028 -2.513 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 -15.040 0.689 4.000 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 15.262 10.126 -16.784 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 -4.359 -1.331 5.987 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 3.437 -2.539 3.484 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 -4.237 -8.620 1.611 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 -0.405 -3.423 -2.190 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 4.804 15.522 -49.254 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 33.723 -5.385 9.812 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 -1.449 -4.534 -4.067 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 5.208 -2.182 -9.806 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 8.010 -3.721 -4.547 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 -3.721 0.414 3.806 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 -1.972 1.724 3.352 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 8.782 10.038 9.741 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 3.693 0.720 0.783 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 -5.932 -12.301 -3.040 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 11.278 15.017 6.531 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 6.454 0.528 -0.334 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 2.089 -2.737 -10.668 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 8.936 -0.148 8.294 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 -0.209 2.139 7.783 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 -6.512 11.536 4.909 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 26.951 5.019 26.534 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 -3.709 -6.012 3.740 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 -4.392 -2.727 -4.953 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 -0.645 17.874 7.972 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 5.027 1.126 -2.974 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 -7.409 -16.323 3.820 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 10.202 3.372 20.874 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 0.782 1.085 -3.198 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 7.862 11.809 19.202 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 -12.597 -11.364 -14.607 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 -1.980 4.531 -0.920 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 2.003 8.336 -1.700 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 3.107 -20.855 13.492 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 -4.934 2.896 4.408 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 14.095 0.568 17.586 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 0.714 19.084 -9.168 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 -4.183 0.825 1.985 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 -10.965 -1.591 -6.112 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 4.108 -12.884 6.057 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 -0.931 -2.006 3.971 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 -3.863 -3.197 -1.986 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 14.372 -12.080 -12.679 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 -1.060 -4.148 -1.934 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 2.230 -6.478 8.728 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 3.519 -8.623 -5.310 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 -3.791 1.711 -4.348 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 -10.623 -17.231 -11.961 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 2.651 15.473 1.799 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 -2.082 2.256 -4.169 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 -1.894 11.762 -12.375 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 6.842 -8.669 -8.776 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 -3.235 0.507 -1.317 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 -3.010 -1.318 1.022 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 14.449 -1.180 5.285 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 -5.274 9.740 -4.460 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 -14.366 -6.133 -23.250 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 0.294 20.013 0.117 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 5.455 8.011 0.343 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 12.241 0.762 -1.387 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 11.497 -5.301 -2.910 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 -4.876 -1.331 3.157 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 -5.303 0.761 7.133 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 1.848 -4.459 1.203 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 -1.305 -0.965 5.870 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 4.687 -10.648 -0.496 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 3.773 8.970 13.641 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 -0.175 -2.309 1.259 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 -8.422 -2.201 2.576 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 16.333 4.252 10.409 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 -2.880 -0.969 0.614 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 -2.165 6.461 -14.611 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 4.063 -11.510 -4.440 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 -4.268 1.129 -5.260 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 -22.700 2.134 13.438 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 -2.760 5.621 -2.810 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 8.339 3.055 1.531 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 11.343 15.752 -0.504 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 10.641 -2.637 0.318 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 5.571 2.368 4.199 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 18.987 -11.461 1.379 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 -2.281 6.000 -1.654 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 -5.765 0.177 1.860 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 -26.279 -10.010 2.152 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 43.084 22.631 24.594 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 1.883 0.941 6.961 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 4.813 7.735 0.735 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 2.497 -2.047 8.955 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 6.304 2.027 6.068 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 3.316 8.657 7.530 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 1.953 14.153 6.887 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 0.586 -7.887 0.435 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 3.360 -12.673 7.885 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 10.743 -5.506 -0.697 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 1.616 1.629 -1.366 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 0.322 -3.673 15.651 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 8.289 -19.670 4.428 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 0.459 -3.475 0.651 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 -11.437 -7.436 4.603 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 1.615 -7.752 -7.312 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 1.450 -3.163 -8.751 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 4.595 -3.950 9.644 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 11.466 -4.395 25.584 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 3.611 -3.231 2.881 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 2.072 12.956 25.535 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 -14.613 -6.612 7.289 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 2.019 1.161 2.611 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 0.132 -1.209 13.714 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 -0.677 -7.005 -6.294 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 4.407 2.503 -1.926 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 6.202 19.862 -2.523 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 7.862 1.171 -3.924 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 -4.627 6.243 1.949 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 19.496 3.003 -7.598 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 1.261 3.179 -8.035 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 2.709 3.180 -5.145 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 0.489 9.433 -15.351 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 2.654 2.021 1.021 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 -2.341 1.662 0.476 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 4.421 -29.985 -2.029 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 5.327 4.972 5.056 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 -1.041 1.509 -4.513 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 -7.401 11.746 -14.489 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 8.228 2.174 -17.822 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 -1.323 3.527 1.101 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 22.289 -11.661 12.706 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 -13.938 8.409 -23.105 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 -3.780 6.838 -2.486 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 -8.748 -9.001 12.471 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 6.888 0.612 -12.523 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 -0.329 -2.150 -3.422 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 -0.509 3.923 -2.629 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 15.042 33.160 -18.954 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 -4.906 7.162 2.805 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 7.809 8.233 11.525 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 -0.139 -6.366 11.203 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 -1.511 -5.855 -1.310 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 -3.402 -5.626 -4.255 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 -3.165 -8.504 -2.500 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 8.155 1.882 0.460 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 3.540 12.460 14.123 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 5.270 3.991 7.176 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 6.802 -1.880 -0.991 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 9.945 11.060 -7.695 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 11.070 15.218 6.902 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 -2.223 0.063 0.352 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 -11.527 -3.836 3.185 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 -8.865 -5.455 4.424 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 -1.575 6.153 -4.490 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 -5.438 -10.771 1.646 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 1.043 -3.280 12.617 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 -2.922 6.484 5.481 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 11.728 5.542 2.603 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 -13.299 -2.040 -2.142 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 5.732 2.133 -3.361 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 -3.354 11.519 -12.543 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 3.405 7.811 -7.087 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 -2.550 2.799 2.615 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 3.103 12.649 -12.552 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 2.526 9.574 -9.793 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 -1.703 -1.180 -6.224 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 4.541 -0.592 -9.695 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 -15.224 1.088 6.208 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 -2.765 1.707 3.131 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 1.254 8.688 -4.075 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 -9.025 -6.790 11.224 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 2.621 1.055 -0.086 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 -23.757 24.684 -3.628 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 -24.412 2.767 6.686 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 -0.710 -5.049 6.905 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 -4.059 6.251 19.728 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 1.770 -16.796 -18.944 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 -2.682 2.015 -3.889 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 6.916 -7.694 -8.969 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 -5.770 6.556 -0.351 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 3.002 -2.237 2.209 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 -7.403 5.612 -25.977 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 -5.614 -12.591 4.811 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 -1.173 0.830 0.769 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 10.436 5.271 -18.968 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 -4.824 -10.241 2.793 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 -1.175 2.579 -6.499 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 8.828 7.302 -2.738 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 -3.162 0.880 0.468 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 -0.452 -11.301 -2.570 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 14.551 -6.549 5.490 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 6.632 -3.620 -3.697 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 -2.481 1.376 8.468 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 -4.192 4.135 -1.789 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 -20.264 -3.833 -12.379 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 4.254 2.603 -2.879 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 8.778 5.093 -1.375 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 2.354 0.551 -14.318 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 -1.355 9.842 3.599 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 -9.975 3.088 7.635 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 1.344 12.702 3.535 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 -0.471 0.341 0.438 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 2.151 -2.633 31.408 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 10.567 -12.462 12.802 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 -5.224 -3.608 -4.629 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 -1.603 -7.187 -4.959 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 8.027 -17.334 -5.113 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 -0.394 -1.549 4.971 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 -16.757 6.855 2.158 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 6.871 -2.400 -13.552 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 2.792 0.636 2.279 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 8.064 47.883 -2.709 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 1.484 0.289 0.604 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 2.143 -5.973 7.310 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 -14.688 27.720 10.394 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 -35.195 -19.498 -1.355 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 4.248 4.977 3.564 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 2.912 -19.941 -21.956 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 10.329 -21.794 5.502 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 -3.300 -8.122 2.082 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 -16.021 -14.684 -6.176 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 4.283 -5.186 7.620 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 1.411 -0.153 -4.458 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 15.127 -11.261 2.465 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 1.016 13.179 -7.698 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 -1.567 -1.012 -2.897 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 -0.841 3.010 -4.726 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 -2.226 -10.999 2.473 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 6.023 -3.193 -4.351 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 -2.503 10.125 13.464 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 -10.108 -8.278 -15.197 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 -2.781 0.945 4.437 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 1.927 9.851 5.368 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 -39.014 -38.029 5.955 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 -2.000 1.919 3.214 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 -3.984 -1.700 -4.846 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 -10.836 11.475 23.062 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 -5.216 -1.754 3.145 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 -0.852 1.286 10.140 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 -8.097 4.684 -0.173 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 0.228 -0.784 -4.182 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 12.274 -23.828 -6.554 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 -7.192 13.689 -2.316 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 5.152 1.277 -4.743 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 -5.375 -30.827 1.660 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 -14.823 1.197 -7.597 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 1.980 1.763 -2.572 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 16.135 -32.267 -7.886 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 6.336 6.729 11.033 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 0.438 -2.912 1.644 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 0.473 0.132 -5.352 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 1.560 4.296 -17.466 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 2.294 1.743 -1.701 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 -7.618 6.142 -12.391 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 4.664 1.964 -5.599 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 3.104 -0.150 0.242 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 5.327 3.387 5.395 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 0.486 18.492 12.314 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 0.821 -2.910 -5.384 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 -0.400 7.289 -0.293 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 27.514 -3.196 -2.468 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 2.551 3.510 -1.663 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 11.312 14.656 -5.019 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 -10.072 -7.656 -0.914 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 -3.834 3.047 5.239 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 -5.320 9.255 -7.379 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 -5.298 9.246 -7.136 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 -1.550 4.429 -2.516 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 8.806 -5.501 2.451 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 -20.418 8.604 13.037 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 0.979 1.550 1.683 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 7.194 -3.870 12.475 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 6.937 6.055 -29.740 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 1.493 -3.244 -1.490 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 0.171 3.127 16.784 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 -14.096 -11.313 -3.673 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 -5.130 2.447 8.146 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 13.542 10.428 -3.555 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 12.760 -5.636 -6.891 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 1.270 6.507 -5.913 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 -0.053 18.570 0.159 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 -7.526 -11.254 -3.995 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 -6.438 -2.725 3.910 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 16.477 -2.603 0.036 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 -17.038 16.302 -8.441 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 -4.743 0.707 4.865 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 -11.970 1.129 5.756 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 -4.518 -4.169 15.054 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 -0.619 -0.543 6.790 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 -2.762 14.045 14.770 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 -5.281 27.751 16.144 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 -4.818 -0.940 -2.533 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 7.334 -9.887 -0.146 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 -8.894 10.445 2.094 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 1.121 3.569 5.144 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 0.742 5.625 4.861 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 -1.420 -4.190 4.701 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 3.801 -6.340 6.035 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 11.823 -11.749 -17.312 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 11.633 -4.827 -11.290 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 -1.375 3.181 -12.956 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 -1.569 -23.212 -3.883 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 -18.498 6.808 -18.659 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 7.261 0.434 -0.804 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 14.182 -10.000 -1.869 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 16.193 10.244 -3.667 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 -1.044 -1.304 -1.832 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 -0.851 -1.380 -0.859 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 -7.581 -0.742 -4.188 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 2.450 -4.882 -5.933 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 1.594 0.848 -16.580 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 9.189 -15.299 -6.948 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 -2.161 -1.429 6.766 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 7.336 -5.088 1.523 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 -8.865 -39.784 7.985 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 -7.523 7.173 -6.571 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 -5.130 13.437 7.609 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 -3.069 25.731 22.647 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 6.979 5.156 0.216 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 13.460 -6.845 -3.421 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 -2.883 5.354 -5.182 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 0.673 1.504 2.495 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 9.615 2.166 -3.055 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 -6.004 11.452 -9.451 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 3.934 -3.660 1.351 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 -4.222 11.841 -14.442 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 6.456 -6.908 31.899 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 5.618 4.635 -4.178 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 2.195 -12.111 -4.809 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 15.960 -22.583 3.636 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 -2.339 5.582 -3.161 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 -6.823 -7.759 -3.934 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 5.482 4.469 0.227 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 -0.128 3.898 -6.390 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 -14.063 -9.707 1.570 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 17.227 13.399 -15.948 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 -4.754 -0.340 -0.183 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 -19.171 -15.431 -4.132 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 8.263 10.436 31.873 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 -1.307 -2.704 0.536 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 5.796 7.199 -5.738 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 7.463 6.219 10.752 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 0.745 3.793 -0.281 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 0.008 10.108 2.851 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 -7.906 3.490 -6.653 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 4.126 7.487 -1.962 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 -5.806 5.838 15.049 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 -11.021 -0.343 -5.524 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 4.099 5.044 -1.009 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 13.901 -10.628 -2.286 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 36.444 27.527 10.588 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 2.455 6.285 -3.455 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 -12.132 -5.121 11.978 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 -9.152 -9.431 -15.269 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 -7.336 -5.047 -3.817 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 -11.321 -2.385 -6.420 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 -0.448 1.148 -4.836 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 4.281 3.934 -5.491 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 -5.915 -4.538 -0.934 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 -1.193 3.346 2.091 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 1.637 -3.964 5.909 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 8.062 0.011 4.932 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 7.144 -5.063 9.668 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 -0.977 -7.775 2.532 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 -1.786 -11.822 14.163 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 8.374 -2.421 5.632 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 -1.903 2.603 -8.044 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 -22.772 20.656 -27.425 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 -4.272 1.606 20.400 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 3.910 -5.136 9.274 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 -2.136 -24.099 -1.205 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 -12.638 7.945 7.456 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 0.646 1.204 -2.212 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 2.887 1.678 -4.783 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 -7.333 -0.817 9.270 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 -0.054 -5.131 4.562 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 26.292 -15.364 18.028 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 9.540 -7.941 12.305 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 2.098 3.596 -8.005 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 6.820 0.406 -3.949 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 2.781 10.291 -24.796 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 4.435 1.204 -4.742 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 -4.710 3.906 -14.242 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 3.153 -15.586 -7.499 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 1.960 0.185 -4.920 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 1.374 -1.308 -1.706 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 20.505 -4.613 6.415 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 -0.235 1.379 -9.814 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 0.281 1.927 -9.539 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 -5.814 -1.184 1.483 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 0.820 0.397 2.715 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 -5.859 -1.970 2.145 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 4.241 15.900 23.776 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 -0.284 1.002 -0.132 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 -12.649 -3.482 -9.639 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 30.817 -10.396 4.937 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 -1.871 4.778 0.814 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 -1.102 1.141 -9.212 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 1.233 7.826 1.876 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 -3.464 -1.029 -1.719 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 -6.807 0.952 39.270 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 -4.670 -7.580 -7.809 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 3.597 5.468 2.949 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 4.530 19.387 8.390 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 17.311 -5.285 4.347 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 -1.956 -3.582 1.853 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 23.670 -4.125 1.561 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 -14.826 -4.900 1.620 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 -2.598 1.596 1.922 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 1.336 -6.148 4.098 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 -2.810 3.490 1.431 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 -1.350 -4.253 -2.458 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 -7.965 3.069 -0.474 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 16.806 5.858 3.775 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 -1.817 0.371 6.695 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 -23.956 21.170 20.643 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 10.894 18.145 0.547 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 2.438 -1.911 0.244 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 -20.021 1.241 3.457 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 -8.067 3.323 -0.490 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 -4.576 -4.505 0.162 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 -18.295 7.819 6.563 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 -2.670 -0.880 -12.556 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 1.468 1.971 5.812 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 6.071 19.193 -0.145 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 -10.905 3.024 13.054 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 -3.699 -0.695 -7.483 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 -5.861 3.803 1.401 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 -19.195 11.407 -6.066 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 -1.022 7.482 1.500 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 3.297 -13.995 -2.371 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 15.042 8.019 1.306 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 -1.580 -3.616 -1.297 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 -19.165 -1.586 -16.687 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 -6.477 12.632 15.424 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 -0.397 -6.082 11.178 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 -0.212 -8.750 13.222 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 9.377 -13.450 1.501 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 0.506 -0.881 0.516 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 3.640 -5.561 -6.729 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 11.230 9.029 -0.250 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 -2.521 0.539 -3.500 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 -4.384 3.824 11.271 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 -7.622 0.174 -2.391 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 9.263 -4.371 -2.700 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 -13.586 19.446 2.257 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 -1.912 -7.437 -8.588 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 -0.740 -1.542 -2.367 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 -2.893 -1.852 3.673 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 -16.335 -10.107 7.614 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 -4.456 0.859 -2.235 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 -20.568 14.773 7.144 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 17.500 18.472 -0.251 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 -3.755 2.411 2.880 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 0.310 11.304 10.455 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 -23.811 -11.054 16.571 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 5.088 2.864 1.307 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 0.241 2.979 -0.249 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 6.660 11.190 1.480 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 -1.098 -0.339 2.171 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 -2.926 14.039 9.644 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 -10.788 -3.764 -10.802 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 1.899 -3.454 1.811 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 -2.043 18.120 19.451 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 1.284 -8.549 0.802 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 -1.594 0.385 -4.694 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 8.391 7.062 0.401 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 0.252 -5.231 -12.128 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 5.976 -8.020 -0.552 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 -9.760 26.542 -17.833 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 -3.162 3.477 -8.955 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 -1.324 -1.797 0.685 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 -20.774 -5.660 4.483 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 2.887 -8.271 2.982 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 0.226 1.316 -6.531 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 3.023 3.658 -6.258 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 16.005 30.390 6.102 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 -1.255 -4.660 8.641 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 -8.626 2.076 -3.988 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 1.826 -5.805 10.696 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 2.618 -11.331 -2.870 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 8.686 -1.348 5.712 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 -13.737 -17.939 3.056 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 4.019 -0.319 2.524 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 2.542 -0.151 -23.309 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 -16.412 13.576 7.771 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 -2.671 1.103 4.742 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 3.803 5.807 -2.829 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 14.898 10.157 1.883 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 -0.934 -3.856 -4.019 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 2.578 -4.411 5.988 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 1.401 14.869 -10.800 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 -4.442 0.868 1.267 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 -17.563 12.625 6.953 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 -23.446 -0.048 6.857 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 6.379 -1.354 -0.382 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 5.644 -33.525 -24.382 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 7.004 0.352 1.088 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 4.951 1.593 3.580 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 -10.949 2.968 18.561 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 -5.458 -11.917 -4.877 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 -0.154 1.115 7.899 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 -7.327 17.317 -9.322 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 -1.993 -12.267 15.489 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 -2.297 5.651 4.609 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 5.796 17.222 11.137 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 -5.792 -6.932 -14.153 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 -0.123 -5.720 0.675 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 -0.836 36.686 1.059 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 0.735 -23.126 9.418 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 -5.048 -1.567 -1.472 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 -12.400 7.232 -3.863 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 -3.721 -0.442 10.290 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 -7.035 -1.523 -2.367 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 -1.557 0.512 1.352 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 7.472 -1.475 -3.303 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 -4.463 -2.659 7.343 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 -1.824 -2.481 2.549 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 -12.223 -8.376 8.440 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 -4.506 -6.548 4.695 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 1.536 -24.353 11.962 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 -7.434 -4.207 1.542 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 -3.943 -1.005 0.743 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 4.060 4.136 2.178 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 -6.903 -20.434 -4.610 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 4.592 1.120 1.361 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 17.960 -6.671 -18.053 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 -13.403 6.276 3.727 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 2.787 -4.634 -5.368 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 7.294 -2.546 28.816 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 -14.286 -16.625 -16.499 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 -6.940 0.705 -6.319 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 -1.783 -2.886 19.332 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 -3.012 -2.560 21.852 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 -3.736 0.421 0.025 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 -22.938 0.487 -6.844 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 3.855 -3.632 0.691 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 1.811 0.724 -0.088 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 -4.688 -10.907 17.586 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 -4.374 -2.716 -10.062 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 4.587 -14.576 3.448 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 16.892 -18.675 -6.235 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 -5.375 -23.102 4.880 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 5.905 0.616 5.666 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 16.686 3.097 -10.512 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 4.671 -2.448 10.134 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 2.625 -3.328 -2.242 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 -0.528 3.461 -20.598 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 -13.047 -16.144 -0.634 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 -1.027 3.899 2.851 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 -2.163 6.884 6.021 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 1.866 13.412 10.461 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 1.154 -0.232 -3.449 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 -4.391 21.953 7.175 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 -9.483 8.731 13.229 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 -2.849 -3.022 4.034 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 6.027 2.882 -1.955 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 -13.568 1.352 -14.458 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 -6.032 2.603 -2.717 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 8.203 29.632 -21.942 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 -45.287 1.793 16.419 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 -0.282 -4.677 1.899 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 -10.666 2.768 -14.506 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 4.542 0.893 -13.124 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 1.406 0.187 0.222 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 -2.330 2.733 1.396 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 -14.494 13.921 3.531 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 1.888 -1.554 -5.049 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 4.589 -31.523 -12.498 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 -4.388 -3.509 -11.009 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 -0.609 1.594 4.237 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 9.012 3.876 22.289 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 10.628 -13.743 -9.169 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 -1.624 -8.197 -1.945 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 5.947 -15.700 -0.307 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 3.024 2.404 9.194 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 -0.994 3.088 -5.660 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 1.824 -0.650 -1.952 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 -12.846 1.430 3.438 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 5.517 3.105 -1.426 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 13.070 -2.376 -5.590 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 15.347 -0.261 -1.487 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 -5.625 0.830 4.109 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 -11.540 -13.089 3.521 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 6.812 27.303 0.267 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 -4.332 8.046 -3.085 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 -9.351 6.394 16.085 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 14.654 32.004 -9.854 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 -0.694 -0.440 -5.375 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 1.108 -7.302 -8.299 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 -0.438 8.094 1.441 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 -2.426 5.266 -7.238 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 15.395 -1.379 -1.687 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 -13.255 11.837 -2.878 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 -5.434 2.296 3.677 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 3.096 -7.703 -8.426 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 -6.502 -7.097 18.605 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 4.766 0.882 -5.696 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 0.981 8.168 9.919 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 -16.503 9.801 7.350 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 -4.286 7.421 0.322 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 0.430 7.098 5.875 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 -0.120 6.199 -3.845 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 6.016 0.662 0.781 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 8.099 7.012 5.671 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 6.200 -2.452 -1.773 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 -1.536 2.501 -0.339 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 12.376 -10.846 -5.566 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 10.993 -6.903 -3.569 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 -0.687 7.318 5.431 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 4.793 18.378 -19.149 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 1.577 12.001 -5.327 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 -3.235 -2.657 -4.351 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 7.691 -15.695 -10.746 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 11.048 37.852 18.134 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 -3.985 -5.771 -2.627 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 0.971 -16.083 -7.408 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 -11.537 -8.992 -1.372 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 2.903 -1.543 -3.096 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 1.180 0.036 -15.746 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 8.708 0.603 7.291 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 -2.997 -3.083 -3.246 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 -10.369 3.455 0.467 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 6.686 -0.796 2.627 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 -5.512 1.376 4.743 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 22.037 20.030 -11.684 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 1.817 3.955 2.058 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 0.945 -0.375 2.445 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 1.792 -24.542 -5.840 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 21.455 32.546 11.824 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 -2.850 4.583 7.644 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 -4.564 5.566 6.115 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 14.124 -5.938 18.199 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 0.458 1.402 -1.200 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 -4.319 11.316 -4.085 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 7.269 -34.109 -3.109 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 4.028 0.950 -2.315 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 0.526 -10.444 10.495 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 6.611 -24.069 -26.610 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 1.114 2.264 0.133 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 -4.962 -10.499 8.483 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 -1.160 5.026 -14.833 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 -5.390 6.348 -0.392 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 -8.709 6.184 13.325 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 -0.254 3.862 -12.034 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 -3.730 -5.329 4.988 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 13.707 19.981 -3.903 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 4.360 4.659 -2.199 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 -0.575 -2.760 2.795 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 -6.474 -0.134 9.025 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 2.395 5.888 -1.295 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 2.147 1.739 -3.262 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 -8.354 19.308 19.818 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 24.088 9.336 10.530 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 -1.146 1.624 0.326 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 -9.028 -12.939 -12.016 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 -3.673 3.845 -8.471 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 0.958 1.798 -5.209 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 2.635 3.316 -5.364 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 20.842 20.136 3.577 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 -2.471 6.780 6.637 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 -16.877 3.086 5.166 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 -5.747 -5.699 5.418 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 0.438 -4.677 -1.831 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 8.112 4.720 8.710 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 -5.483 -11.743 -9.770 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 -0.504 -5.164 -4.317 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 -14.466 -11.191 -7.378 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 -10.454 4.633 -7.577 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 -9.276 -5.466 -8.440 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 6.198 -26.532 -16.426 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 -19.859 17.247 18.048 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 0.154 -0.871 -1.117 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 -29.532 -12.320 -4.639 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 16.643 20.114 8.739 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 -3.211 1.111 2.680 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 -3.261 4.442 -3.971 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 13.419 -20.378 -4.408 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 -0.045 -4.300 -3.397 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 7.327 2.856 -2.624 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 -7.540 -2.918 -5.712 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 2.630 3.806 -3.562 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 22.436 15.353 -38.448 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 -0.175 -8.980 10.366 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 4.959 5.830 -6.141 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 2.915 6.205 -2.088 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 8.571 6.854 -11.638 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 -0.225 0.508 0.280 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 -7.035 1.894 5.526 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 -6.278 1.701 8.579 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 1.388 1.879 -0.700 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 -1.411 -11.745 -0.896 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 -11.844 8.323 4.534 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 4.560 -2.536 0.646 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 -1.425 7.223 0.687 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 13.554 -29.840 10.109 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 2.772 0.823 -1.694 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 17.975 -9.605 6.073 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 -6.818 -10.858 -10.258 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 -3.316 5.444 1.832 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 10.723 7.485 -7.956 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 -16.097 -0.828 -19.296 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 1.005 -0.612 9.538 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 -14.759 -15.486 1.241 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 -2.711 -7.962 30.302 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 -9.222 1.021 2.250 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 -1.702 0.940 -2.770 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 4.122 0.123 -9.749 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 -3.681 0.427 1.065 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 5.743 -0.040 5.970 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 6.996 0.615 6.414 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 -0.455 -0.911 4.827 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 -8.402 7.801 20.689 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 -15.704 -14.726 5.965 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 3.252 0.385 -1.573 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 -6.481 -7.022 4.714 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 -11.531 4.809 -5.124 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 1.674 4.664 -4.030 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 17.500 -10.289 -7.879 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 -2.430 3.206 -2.588 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 -2.269 -4.803 -2.312 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 -5.099 19.584 1.455 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 -7.590 13.312 -4.295 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 3.702 4.872 -0.625 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 4.046 -4.398 -1.316 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 -21.920 7.863 0.604 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 -8.341 1.353 -4.550 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 4.480 -0.125 -7.413 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 -8.940 0.535 -2.651 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 1.020 -4.583 -3.330 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 -4.360 -1.824 -7.936 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 -9.776 -3.280 -1.570 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 0.080 -0.042 -0.221 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 -2.038 -2.440 2.397 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 16.981 1.165 -2.655 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 1.896 0.263 2.213 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 -1.790 -23.094 -16.590 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 12.032 7.449 6.964 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 -2.517 -4.066 -1.958 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 -7.374 -0.096 25.561 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 10.419 20.276 11.011 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 2.147 1.241 7.506 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 23.544 30.210 -1.226 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 -4.756 4.619 -9.526 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 2.942 -1.280 -2.886 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 -2.569 7.895 -7.575 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 6.733 2.280 23.282 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 7.367 7.561 -4.887 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 8.331 -12.524 -20.300 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 3.631 2.636 -6.137 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 -6.811 8.076 1.340 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 17.044 7.394 3.868 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 -23.737 -12.068 -1.169 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 4.356 -5.753 -4.369 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 11.222 -21.332 -11.980 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 2.481 -15.685 5.475 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 5.141 -2.413 -4.007 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 -0.253 3.687 -4.178 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 2.296 2.854 -7.888 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 -1.088 -7.129 -2.002 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 -4.303 0.907 0.842 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 -10.351 13.722 2.302 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 -7.970 -3.982 -2.633 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 -11.684 16.833 -11.510 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 -10.004 13.564 -3.470 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 1.737 -4.855 -2.924 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 -18.602 -16.175 14.350 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 -4.743 -22.128 -15.247 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 -6.676 -6.045 4.519 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 -7.771 -9.053 5.594 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 -15.006 6.201 -21.798 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 9.219 1.176 -7.444 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 0.845 10.101 14.847 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 -12.641 -5.882 -24.561 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 -1.216 -4.182 -0.373 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 -6.963 4.906 -8.863 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 0.514 -6.878 -11.141 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 0.622 1.787 -2.978 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 -0.934 -5.067 -0.269 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 -11.654 -5.146 13.032 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 -1.150 1.882 3.448 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 1.841 2.983 1.660 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 30.327 -10.576 4.478 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 12.288 0.783 1.397 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 -8.486 12.179 16.853 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 7.947 11.257 -5.978 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 -1.408 -1.648 -1.425 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 28.922 11.949 -6.049 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 -0.828 -22.328 -17.974 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 4.301 -4.345 -3.068 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 -21.750 10.846 -1.463 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 20.802 -3.678 -0.888 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 1.535 -0.325 -0.522 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 -17.092 11.604 -7.782 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 -3.052 0.764 1.564 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 0.979 -0.417 -4.475 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 1.652 -6.532 4.437 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 0.756 27.800 -21.784 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 -0.283 -0.056 1.306 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 -0.704 -0.383 1.100 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 -0.944 3.917 3.168 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 0.847 -3.355 -1.195 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 -18.684 24.248 12.191 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 17.399 -6.809 5.471 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 0.114 -8.231 2.664 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 -1.984 -1.427 10.038 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 -12.522 6.142 0.069 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 4.009 -4.366 -1.811 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 9.646 -5.201 -14.561 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 -10.025 0.160 -0.528 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 4.379 -2.942 11.841 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 -24.653 -11.871 8.913 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 2.474 34.772 2.191 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 0.585 3.298 3.070 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 -9.899 -6.608 25.815 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 5.487 11.191 -8.156 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 -1.833 3.666 2.223 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 11.528 -13.989 -4.553 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 -7.055 11.632 7.983 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 5.102 2.099 2.494 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 -5.825 4.406 -13.934 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 13.856 16.727 3.368 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 3.923 3.354 3.814 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 -0.112 1.489 -7.787 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 -19.987 -11.990 29.933 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 -1.102 3.019 -2.794 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 -5.642 -7.518 -15.947 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 4.495 2.197 -3.961 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 -5.550 0.657 -3.612 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 -6.768 5.615 -8.773 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 -6.550 10.619 1.494 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 5.056 -0.850 4.866 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 -12.463 -1.111 -26.723 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 -2.283 4.850 -4.989 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 2.288 2.967 0.034 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 2.828 17.349 4.485 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 -7.552 -8.322 5.751 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 -6.822 -1.628 1.158 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 -11.583 -11.523 7.217 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 -12.532 4.943 -4.447 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 -6.292 -5.569 5.985 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 18.817 -11.832 8.508 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 -2.760 4.204 -8.425 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 2.289 -4.172 -1.253 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 3.156 12.329 8.170 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 -9.815 0.819 -14.649 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 3.943 -5.348 -7.452 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 -16.565 1.796 -13.940 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 -16.995 5.530 -3.066 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 -3.378 1.125 -0.263 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 -10.107 14.702 -15.782 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 -2.318 -23.490 11.008 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 2.248 5.222 -11.226 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 -2.149 3.270 0.262 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 4.945 25.398 -11.589 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 1.443 -3.597 -5.140 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 6.580 7.095 22.438 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 18.099 7.893 16.094 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 0.416 -4.455 4.476 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 10.930 -11.261 -12.021 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 -14.020 35.647 36.376 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 -1.342 -6.212 -0.099 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 13.522 -4.471 12.104 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 0.452 8.927 0.841 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 2.184 1.924 2.770 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 9.415 -25.592 5.052 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 13.941 -7.432 0.142 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 1.417 -5.332 -8.418 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 -0.844 -6.072 -7.362 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 -4.688 10.892 0.210 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 -0.097 6.805 -2.620 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 -33.094 -16.628 -19.837 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 5.986 9.629 -0.960 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 2.989 3.565 -0.950 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 -10.760 5.586 -0.189 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 -12.614 5.990 -0.194 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 -4.077 -4.183 -0.837 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 -1.848 -6.594 6.212 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 -3.677 -4.320 -1.310 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 0.415 -3.257 -0.257 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 -2.710 8.265 -8.815 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 -15.742 12.171 2.894 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 0.627 -3.257 -0.418 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 1.789 -5.180 -2.807 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 1.949 -11.754 -6.026 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 0.658 1.731 0.347 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 19.189 6.890 1.584 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 -7.094 4.043 0.829 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 0.354 -3.421 7.770 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 18.589 -15.942 19.651 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 16.173 20.206 -18.735 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 7.466 -0.424 0.868 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 -0.656 13.528 -4.637 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 2.265 -3.161 5.931 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 -0.674 -0.942 9.505 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 -1.324 -0.760 -12.434 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 -9.751 -0.711 5.188 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 5.571 6.452 7.584 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 6.378 7.713 6.897 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 0.723 8.823 11.011 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 2.552 -4.416 -0.226 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 17.565 8.719 0.811 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 5.063 -9.736 -20.015 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 3.586 -3.333 7.890 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 -27.947 3.206 20.948 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 18.071 9.142 1.485 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 -2.332 3.072 -3.375 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 -0.320 4.448 -2.100 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 -5.719 2.418 -5.282 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 2.021 -3.186 2.153 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 8.344 3.494 5.487 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 -10.163 -3.884 -2.569 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 4.356 4.352 -3.482 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 8.527 4.439 -7.694 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 9.619 -7.899 -1.871 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 -6.620 -5.725 -6.667 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 -0.831 13.012 -13.691 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 2.241 5.697 -12.845 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 3.330 -5.389 -5.641 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 6.817 -18.889 6.019 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 -18.866 -6.861 -19.008 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 4.163 -3.680 -8.392 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 2.574 -1.459 -0.231 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 3.059 -2.649 -5.861 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 -4.048 -3.489 -4.304 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 2.614 2.735 -19.531 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 -6.258 -0.067 -27.643 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 -1.968 -0.984 -0.214 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 -0.268 -7.822 2.574 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 11.790 21.931 9.267 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 2.610 1.986 -2.825 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 13.744 -3.057 3.376 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 -8.141 -11.104 -0.686 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 0.353 3.252 9.524 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 -13.176 15.528 3.150 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 12.515 -10.257 16.054 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 3.045 1.131 -0.485 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 -1.096 14.005 -12.759 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 -1.370 6.827 1.256 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 8.491 2.914 -0.560 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 17.111 7.767 -10.781 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 -8.979 -4.146 -2.877 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 1.906 2.164 -2.175 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 16.846 -7.610 -2.576 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 -15.345 -13.056 3.991 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 -1.671 -6.441 -6.080 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 3.223 4.957 6.182 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 -3.745 -13.353 -9.819 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 8.002 3.834 0.376 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 -5.251 9.130 5.665 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 3.016 -42.357 -14.621 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 0.339 0.841 1.895 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 5.409 -2.584 -0.776 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 7.338 -5.940 -5.514 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 1.299 -0.093 3.276 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 -1.780 3.802 -4.784 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 8.350 5.095 5.457 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 0.589 2.259 -3.608 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 4.867 13.004 16.744 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 10.617 -10.621 -11.733 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 -0.925 2.122 3.480 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 0.762 4.039 2.462 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 5.964 11.863 21.347 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 3.262 -6.797 2.969 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 -11.235 8.971 -6.400 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 1.084 12.794 -6.912 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 -2.071 2.280 -4.593 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 -11.745 6.210 2.965 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 22.776 4.027 -2.104 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 2.367 -1.475 -2.913 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 9.221 -12.354 -5.495 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 5.150 -8.067 -4.494 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 -5.912 -3.635 -1.308 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 -13.657 -17.092 7.477 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 -9.618 -3.268 -27.880 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 4.236 0.098 4.347 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 26.466 10.912 1.480 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 12.409 -6.986 34.608 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 -6.117 -0.400 1.172 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 -16.773 0.115 -11.024 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 -15.919 -0.986 -14.232 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 0.329 3.947 -11.437 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 10.670 -0.359 -20.420 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 11.656 5.317 9.648 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 -0.349 -3.731 -0.321 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 -12.528 3.552 16.457 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 11.149 -2.030 -15.621 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 -3.301 6.732 3.144 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 -2.470 2.363 -0.928 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 -5.520 6.444 3.678 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 -1.590 -6.453 -0.580 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 8.077 -5.593 -0.349 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 3.385 -7.414 1.417 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 0.562 3.803 -2.762 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 -4.053 -8.868 19.772 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 6.324 -3.869 6.970 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 2.688 1.974 5.799 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 -2.111 1.968 8.932 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 -3.001 3.025 11.620 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 3.417 1.928 -4.533 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 -4.038 1.177 -1.675 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 -12.052 11.915 10.098 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 1.541 0.006 -1.176 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 7.059 -1.287 -4.996 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 4.002 -1.581 4.482 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 4.041 -0.082 -2.337 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 -5.417 -1.480 -7.863 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 -1.740 3.854 0.951 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 -0.678 1.147 1.808 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 -5.381 14.071 3.074 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 -7.107 15.014 -21.005 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 -0.246 3.852 0.790 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 -9.544 7.440 -2.923 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 0.641 -0.262 10.181 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 -0.414 -5.369 -0.962 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 2.581 20.790 4.387 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 0.878 6.738 1.427 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 -3.393 4.485 1.121 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 -3.225 -15.463 2.487 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 0.109 26.233 14.968 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 -0.321 -8.331 4.832 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 13.735 -2.830 13.402 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 -4.086 -6.135 4.557 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 -2.132 2.947 6.148 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 -8.853 -6.059 9.960 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 13.003 -12.016 -2.511 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 -2.417 2.477 -4.444 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 -11.642 -23.429 20.116 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 -2.514 17.349 -3.012 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 3.642 -6.173 1.204 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 24.772 -25.767 2.101 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 -15.220 -4.332 16.269 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 4.727 -4.169 -2.413 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 -4.231 -10.547 9.230 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 6.722 0.275 -8.964 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 -1.037 4.122 -2.815 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 3.592 0.480 10.747 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 -0.938 7.167 16.634 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 -1.361 3.525 -0.974 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 9.442 -23.616 2.085 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 9.617 3.924 -2.411 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 -3.374 5.655 -9.855 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 5.009 -5.981 3.492 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 19.615 -5.087 -0.101 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 -4.907 1.898 -4.194 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 14.737 -7.031 -14.071 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 12.614 -12.972 -7.119 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 5.824 -2.480 3.462 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 16.456 -0.797 -1.732 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 -9.437 10.871 0.632 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 2.564 4.634 4.054 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 5.880 -21.949 0.308 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 -9.336 -16.816 0.232 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 0.724 2.008 -0.594 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 3.225 -2.536 -1.280 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 -8.020 9.828 -2.882 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 -4.599 -9.499 -1.007 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 -4.718 -9.987 1.539 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 -4.650 -9.527 -1.507 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 -0.687 3.773 3.754 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 -0.573 -0.652 20.821 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 12.045 16.913 2.615 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 0.224 -6.483 -5.811 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 -6.560 -7.154 -9.864 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 -8.853 19.705 -16.985 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 -2.626 5.299 2.074 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 11.197 26.277 5.567 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 -0.971 11.876 7.685 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 0.222 0.178 0.232 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 -4.562 -11.895 6.373 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 14.553 2.387 14.253 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 -0.875 -0.070 -6.367 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 -4.918 -6.993 -7.883 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 -3.932 -2.471 -8.069 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 1.433 5.875 1.153 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 3.598 -9.789 2.076 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 2.829 -16.994 -18.978 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 1.542 -3.336 2.173 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 3.563 -0.591 -13.964 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 15.443 -10.301 7.193 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 4.078 1.731 6.914 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 -16.353 -3.361 18.568 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 -1.151 25.704 -7.323 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 -8.207 3.471 2.901 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 -42.815 0.601 -9.118 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 0.922 0.042 12.472 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 -2.615 -0.001 -1.872 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 13.939 1.377 -9.894 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 -16.379 -4.034 7.913 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 -7.899 -4.417 2.963 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 -14.258 -8.084 -2.798 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 8.568 6.895 7.550 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 2.055 -4.990 -6.506 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 3.571 -5.925 -7.710 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 10.430 -2.940 -1.800 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 -1.859 -4.393 0.076 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 16.998 -5.402 -26.087 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 22.038 24.010 -4.579 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 4.589 2.509 -3.474 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 6.857 7.243 8.187 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 5.883 0.080 -10.857 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 5.564 -4.557 1.442 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 -3.246 2.370 -14.013 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 -15.231 -8.500 -7.516 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 -0.988 2.168 -7.580 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 -9.950 -6.155 0.888 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 27.786 -13.622 19.599 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 -3.129 1.306 -0.056 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 11.767 12.193 -18.861 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 -17.217 7.539 1.071 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 -0.591 4.125 0.339 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 -13.058 4.468 -0.042 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 -2.448 8.079 0.224 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 4.429 -4.782 4.384 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 -9.461 19.112 10.321 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 5.228 -8.073 5.754 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 2.571 -5.901 -6.298 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 -2.275 23.971 -4.447 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 -2.117 3.430 22.107 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 3.146 0.741 7.972 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 -6.153 -7.616 27.106 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 12.677 13.556 -10.401 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 5.331 4.393 4.679 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 8.599 23.019 -6.191 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 14.022 -13.180 12.124 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 -2.483 1.826 3.437 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 -2.897 -0.837 2.564 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 -8.069 0.974 3.671 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 -2.557 2.602 3.165 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 2.256 16.823 -23.593 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 -13.652 -3.008 18.046 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 -3.797 1.077 -6.632 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 -10.097 8.643 9.590 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 -8.351 -6.331 14.265 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 4.107 -1.461 1.975 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 -0.336 -4.237 2.094 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 15.583 -6.039 -20.723 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 0.040 1.924 1.578 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 11.983 9.821 34.512 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 2.024 3.859 10.772 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 -3.272 3.750 7.282 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 -24.548 14.371 30.711 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 14.588 -10.787 -11.018 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 8.716 3.207 0.672 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 14.868 8.955 13.827 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 -3.485 2.764 -12.199 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 6.212 3.129 -5.786 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 -4.385 11.892 -2.582 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 13.234 -0.413 -7.865 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 7.626 5.180 1.543 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 -0.604 4.991 -18.955 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 -12.192 36.764 9.083 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 3.759 1.849 0.818 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 2.587 8.155 -6.495 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 -1.672 0.124 18.790 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 -5.181 3.475 0.972 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 -8.738 0.529 11.576 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 -2.524 -2.941 -4.668 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 -4.125 -3.135 4.471 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 -3.823 5.307 9.660 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 -9.494 -18.911 -1.071 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 -1.285 -1.339 -3.433 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 -12.819 2.658 11.847 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 -1.106 0.705 -6.550 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 6.067 -7.134 -2.846 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 7.369 18.474 2.202 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 -4.720 -25.352 11.956 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 -8.392 4.636 3.607 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 -12.401 -11.455 0.710 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 14.461 -7.810 1.332 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 -0.272 -0.513 -0.759 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 0.002 -1.439 0.398 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 -11.794 -6.918 10.851 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 -5.051 -9.871 1.434 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 11.506 12.557 2.647 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 -11.420 -5.868 -20.231 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 -3.334 -4.061 4.679 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 -2.118 -1.800 3.144 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 -10.406 -5.143 -2.830 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 -2.130 2.847 6.418 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 8.606 3.427 -5.936 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 4.060 -7.949 16.377 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 0.408 -3.320 -1.607 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 -8.665 -3.897 -4.962 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 1.808 24.255 13.657 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 5.093 1.428 5.701 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 -4.046 16.265 6.913 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 1.504 21.567 11.029 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 -6.597 -4.384 -0.426 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 -28.254 2.532 28.238 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 -18.721 -0.729 18.550 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 4.066 -10.025 -4.591 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 -15.485 4.446 13.179 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 -8.759 -1.435 3.926 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 -6.046 -4.344 4.791 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 -6.471 -5.700 4.275 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 -35.011 8.765 -14.334 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 -3.224 5.593 2.541 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 1.953 -0.736 -5.002 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 2.014 9.522 8.266 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 2.822 0.092 2.314 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 7.448 9.254 2.499 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 1.031 -2.204 2.244 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 5.228 2.743 -0.624 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 26.862 6.898 -8.823 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 -0.963 3.449 5.361 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 6.081 2.815 0.398 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 -0.234 7.644 -0.107 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 2.770 2.439 -4.077 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 4.326 -2.568 6.345 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 -6.312 3.738 4.070 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 9.649 7.164 12.042 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 -0.912 -4.503 -1.508 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 -17.438 -14.512 -6.412 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 1.499 -22.056 10.482 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 -0.685 0.949 1.285 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 -18.921 -22.548 -8.176 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 -23.288 13.164 2.639 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 7.224 -3.702 -2.236 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 0.736 -3.491 -10.600 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 11.617 -6.970 17.803 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 -8.003 2.002 5.982 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 0.093 17.493 -24.512 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 7.000 10.223 -36.217 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 3.865 -6.001 -2.273 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 -8.478 -13.864 3.631 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 14.479 -12.733 4.698 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 -3.384 1.888 -0.756 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 -15.129 10.997 -2.354 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 -5.171 -20.935 9.072 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 5.107 1.657 -4.386 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 8.562 10.701 7.310 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 10.624 6.530 -4.119 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 0.371 4.122 1.520 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 -1.288 6.367 -1.615 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 -1.163 -2.255 10.469 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 1.083 5.701 -1.138 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 5.262 3.467 2.520 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 29.541 9.076 -12.384 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 7.427 7.933 -1.114 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 18.222 11.567 -4.492 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 -7.775 21.744 -0.505 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 1.541 3.153 -0.640 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 4.153 2.708 0.199 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 0.088 -1.668 1.046 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 4.565 -2.186 2.803 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 -5.933 -8.080 6.751 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 -2.103 -11.290 7.902 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 2.539 8.098 -0.428 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 -8.367 21.801 -24.254 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 0.029 -16.941 -14.336 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 -8.164 0.229 -0.728 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 12.201 0.977 13.314 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 2.500 9.036 -2.482 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 -1.297 -4.013 -4.770 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 -10.947 -9.644 -3.363 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 14.854 5.857 -8.570 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 -4.324 -1.169 -8.294 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 -4.624 -11.104 0.826 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 1.035 7.873 -13.060 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 -1.684 0.594 1.054 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 -1.284 11.118 0.476 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 6.449 -2.070 7.921 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 3.919 -3.385 1.806 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 1.519 1.514 1.611 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 13.936 11.105 11.335 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 -1.957 1.622 -3.581 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 5.771 9.128 -7.953 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 -7.627 14.742 15.713 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 -3.409 -1.497 -2.575 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 5.929 -4.087 -5.533 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 -16.171 -0.581 -4.503 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 -2.107 7.210 -2.975 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 -20.099 -10.596 12.921 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 7.411 5.549 9.632 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 1.065 3.691 -6.912 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 8.252 12.782 -4.699 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 -5.082 -6.580 -9.479 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 -0.915 0.383 8.276 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 -7.452 -9.938 6.633 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 -17.122 20.657 12.134 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 -2.490 1.270 0.811 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 -12.171 1.322 5.907 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 -25.608 -6.864 12.088 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 1.451 4.271 6.047 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 -4.857 1.383 -38.641 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 9.460 -0.818 35.923 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 7.018 2.716 5.790 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 26.432 -17.351 -8.882 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 24.580 10.867 24.475 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 -2.696 5.813 -0.737 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 14.852 13.564 -5.459 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 5.880 -18.918 -18.374 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 5.377 -0.665 3.497 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 10.349 -14.830 -28.707 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 -15.494 15.427 1.450 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 -2.822 -3.368 -4.031 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 -2.955 -20.226 -7.481 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 8.058 -4.888 -17.272 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 0.603 8.738 4.953 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 9.618 16.305 5.868 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 0.131 4.627 -15.259 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 3.797 2.415 -1.746 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 -14.469 -25.006 -21.335 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 1.230 -12.414 10.236 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 -2.197 3.852 8.316 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 -6.834 17.138 8.123 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 -4.917 3.471 11.001 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 -4.320 2.510 -2.860 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 20.934 -14.419 -4.549 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 -12.566 7.517 -6.386 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 6.204 3.856 -0.472 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 16.481 -30.897 -5.359 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 5.166 -3.918 -25.471 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 -1.540 0.093 1.685 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 -20.747 -1.513 -12.179 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 -17.209 0.982 -6.417 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 0.647 0.149 -2.345 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 -26.814 27.793 -0.993 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 -4.579 0.670 8.314 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 4.381 -0.320 3.452 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 -14.958 2.916 -7.214 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 -8.873 5.406 -3.687 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 -4.747 4.105 0.892 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 -10.890 -4.959 -13.573 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 -6.930 -10.554 1.094 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 -6.347 -2.334 0.439 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 7.730 6.518 2.370 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 -2.500 -12.833 11.921 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 -0.192 -1.514 -5.284 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 -4.178 9.213 -22.069 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 3.083 -9.287 -7.227 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 10.246 7.271 0.390 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 7.198 6.177 8.337 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 1.350 7.900 -5.478 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 4.535 -3.405 -4.331 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 -9.593 -8.769 -1.111 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 -33.967 2.506 -2.695 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 1.997 4.079 -2.138 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 7.128 -4.751 13.232 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 18.953 2.947 -13.098 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 2.657 -2.570 0.990 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 15.577 -4.837 14.607 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 -5.213 0.982 -4.766 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 -2.474 -6.026 0.577 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 1.920 -3.478 -31.110 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 1.200 -4.888 11.085 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 2.131 4.762 -5.011 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 20.956 -22.848 -5.987 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 -32.326 -16.872 0.471 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 -2.198 -4.505 2.662 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 2.381 10.539 0.910 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 -7.157 -2.278 14.770 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 -6.025 -1.822 4.690 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 -21.767 6.672 -4.687 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 -25.937 -6.301 -4.471 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 -4.245 -2.397 -0.598 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 -7.130 6.950 -2.666 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 -6.576 6.774 -1.804 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 -10.749 -2.412 -0.361 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 -10.058 -9.261 -4.282 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 4.780 2.804 -9.027 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 -4.364 6.384 -2.128 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 -16.128 0.958 0.727 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 -12.982 8.762 -5.763 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 3.075 6.622 1.566 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 4.262 7.518 0.376 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 -0.672 10.185 3.880 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 -2.736 -1.288 -1.329 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 -10.123 2.849 7.675 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 5.715 -6.838 -11.940 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 1.856 -1.331 3.162 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 0.067 -37.268 -5.416 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 -44.996 30.249 4.719 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 -11.842 8.553 -1.222 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 -0.470 -6.310 -13.247 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 -0.153 -7.225 4.988 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 -0.765 1.714 1.290 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 9.987 4.919 -8.014 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 7.473 -19.506 -1.076 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 -1.681 -0.548 -0.694 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 7.268 1.201 -12.142 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 -2.929 -6.829 -9.544 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 -2.670 8.474 -2.910 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 13.771 6.524 -1.151 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 -0.122 -8.360 5.331 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 0.849 5.186 5.494 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 -4.273 -26.136 14.303 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 4.825 -12.947 3.267 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 0.552 0.126 -1.003 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 -5.087 -0.048 -2.386 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 0.768 -3.694 2.803 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 2.479 1.074 -0.463 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 2.644 -2.337 2.402 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 -1.817 2.783 8.571 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 6.772 -1.222 -4.108 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 1.401 3.482 0.531 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 2.198 4.702 11.299 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 -2.896 -3.063 -7.547 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 6.505 6.868 2.781 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 -4.062 -2.970 -11.604 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 5.777 -3.083 -0.042 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 -17.656 -17.907 12.709 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 3.640 18.745 2.739 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 -5.110 -0.542 -7.046 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 9.453 6.686 -13.292 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 25.863 1.983 -16.678 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 0.172 -0.289 2.471 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 4.483 5.348 6.644 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 8.214 -19.213 4.622 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 -0.501 2.029 -1.721 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 8.853 1.333 9.597 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 -6.971 9.422 1.951 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 4.238 0.549 4.519 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 5.184 -17.692 -4.305 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 -5.803 -12.886 -4.154 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 -0.555 -5.856 0.691 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 -6.666 9.437 3.056 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 -4.892 -25.452 -2.869 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 -2.545 -4.471 -0.153 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 -26.910 3.576 0.050 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 11.129 -8.464 8.744 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 3.982 -5.133 1.944 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 9.376 -7.994 4.155 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 9.058 -0.853 1.857 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 -0.127 -0.044 5.832 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 -0.275 -1.595 11.492 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 -3.141 18.125 3.125 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 -3.941 -3.632 -6.527 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 -3.593 -10.428 -1.125 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 1.824 -4.755 -14.725 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 4.629 4.649 -1.090 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 10.619 4.424 3.631 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 -5.797 14.042 -8.695 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 -6.590 2.669 0.956 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 3.589 8.295 -10.350 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 2.968 -9.007 5.959 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 2.056 -3.361 3.925 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 11.053 8.844 -11.974 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 -4.659 -6.806 -3.442 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 -1.879 0.794 1.883 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 3.816 4.729 -4.755 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 2.453 6.548 19.269 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 -0.940 7.032 2.668 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 -15.959 2.220 -8.580 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 1.288 -0.254 10.267 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 0.972 0.076 -0.790 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 2.875 13.694 8.350 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 -14.074 -7.795 -3.218 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 0.261 -3.563 -3.799 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 -10.163 6.173 -15.746 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 7.143 -19.384 10.772 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 -1.158 -8.633 -2.219 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 8.796 -31.509 -22.072 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 -7.623 -10.035 -8.075 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 -2.854 0.460 2.637 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 -8.984 21.348 -3.528 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 0.974 15.341 1.047 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 2.636 -1.943 -4.592 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 32.705 -16.120 23.843 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 -31.304 -5.404 27.997 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 7.997 4.085 2.866 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 10.841 8.815 6.647 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 19.353 29.397 -8.875 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 -8.507 3.815 3.541 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 8.189 27.029 7.498 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 16.527 5.497 3.431 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 3.871 0.507 -6.886 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 -4.310 9.295 -7.982 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 4.459 -2.387 -6.167 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 3.415 -2.087 -1.593 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 -3.934 5.810 -5.962 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 15.287 -14.489 3.626 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 -2.536 -1.852 -0.052 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 2.929 9.611 -4.022 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 -12.430 -3.211 -2.578 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 -1.751 -1.704 -4.903 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 -3.290 -2.781 -12.010 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 10.451 5.109 5.889 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 -4.195 -0.552 0.419 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 -6.238 -2.788 -3.586 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 -5.363 -0.582 -3.866 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 -2.883 2.376 0.380 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 -15.053 -2.652 6.455 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 -6.923 -15.391 10.687 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 1.421 -3.597 5.041 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 18.167 9.003 14.446 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 5.801 -3.312 7.356 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 -1.065 0.668 -3.953 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 -2.757 -5.813 -1.559 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 -2.870 14.691 3.163 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 -0.265 0.246 -4.854 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 -1.970 0.614 -15.876 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 10.132 3.230 -6.881 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 -0.412 8.268 4.607 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 3.990 1.375 -2.308 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 -1.512 11.814 -3.900 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 2.378 3.731 -7.529 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 -2.098 -8.106 -0.265 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 -7.324 17.818 -3.536 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 -4.157 -4.444 1.055 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 -12.169 -5.906 -21.410 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 1.367 -6.565 11.960 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 -2.556 -8.588 -6.174 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 -11.615 -10.351 -7.879 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 -0.915 -3.079 11.245 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 -0.668 0.621 -8.184 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 2.987 18.825 -25.345 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 -10.302 -5.398 -21.846 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 -2.231 1.819 -1.312 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 -7.816 10.659 4.630 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 -5.071 -1.883 -7.099 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 0.863 -4.443 0.395 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 -2.873 1.396 -16.155 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 14.661 -4.749 15.518 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 6.332 -1.451 1.969 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 6.806 -14.540 -32.302 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 15.069 -8.258 -1.117 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 3.920 -1.086 -8.616 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 9.906 12.834 6.124 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 -10.524 -11.292 -1.712 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 5.767 0.095 -1.791 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 11.397 -1.634 -4.530 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 6.244 13.965 -4.038 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 1.880 -0.658 -5.761 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 18.102 -13.290 -22.306 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 -1.056 -1.779 -5.604 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 4.534 6.558 -0.654 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 1.726 2.938 -0.472 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 9.332 5.852 2.444 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 -2.077 -8.269 -0.725 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 -16.936 -10.985 -3.576 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 -0.792 2.678 10.411 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 1.828 -0.408 2.115 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 1.483 -10.477 -15.173 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 0.109 -4.866 -2.382 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 -2.463 1.658 2.155 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 -6.492 3.037 3.954 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 0.440 11.994 -6.012 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 -1.678 -5.213 -3.825 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 -2.544 -0.592 -5.593 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 -5.469 0.298 -2.343 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 6.015 0.275 2.428 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 -5.355 -7.292 -3.441 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 -19.188 0.753 4.243 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 -6.230 2.979 -0.912 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 -7.002 -9.233 -6.669 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 2.467 2.686 4.043 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 -0.352 0.223 -0.311 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 11.692 -13.027 24.479 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 -2.969 12.552 -7.322 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 4.591 4.652 5.899 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 -6.469 13.375 -1.959 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 1.094 26.768 -1.951 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 0.296 -6.387 3.893 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 -6.320 -6.406 -0.435 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 26.091 7.048 19.319 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 -4.489 -2.311 6.501 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 12.351 -3.113 13.200 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 10.094 -2.191 10.354 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 1.224 0.091 3.098 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 -0.202 4.433 23.891 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 -21.185 -5.836 4.385 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 -8.793 -1.710 -5.863 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 -10.280 -4.804 -18.829 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 -16.776 -9.388 -7.477 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 -3.703 0.203 4.679 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 -19.791 -3.188 17.364 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 16.272 -31.894 -11.085 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 0.983 -0.667 1.680 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 -9.761 11.767 -11.204 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 1.082 -14.511 4.446 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 4.028 -2.216 0.734 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 1.115 -3.960 5.835 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 -0.576 -23.334 -21.605 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 -2.361 -3.459 4.939 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 -40.483 16.725 -2.010 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 10.256 5.560 24.248 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 3.535 -1.001 -4.560 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 -4.627 -16.094 -16.789 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 -12.853 -4.194 17.063 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 -3.924 4.416 -0.085 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 -2.296 -3.381 -0.356 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 -4.820 -4.256 1.629 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 4.882 2.473 -6.174 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 4.504 1.288 -1.080 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 4.346 17.759 -0.717 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 -1.264 3.718 2.230 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 4.785 22.501 -8.950 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 -2.986 7.184 -4.590 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 -1.124 1.988 -1.843 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 -7.849 7.073 9.413 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 -20.529 15.788 30.001 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 -1.009 3.941 4.291 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 11.589 -7.001 17.226 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 11.700 34.142 15.574 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 -3.401 0.529 0.658 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 13.150 10.606 -12.619 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 -12.386 -32.116 3.268 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 5.658 3.677 1.994 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 7.528 -7.975 23.815 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 29.805 15.755 9.064 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 4.714 7.061 1.811 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 6.411 10.279 -4.230 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 -6.693 1.429 1.331 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 -2.858 -0.875 3.299 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 2.026 -0.737 12.554 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 -8.698 0.869 0.249 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 0.302 -4.465 -1.188 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 2.509 -15.266 -1.504 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 21.315 -11.507 -2.634 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 -2.246 -7.617 -6.615 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 11.501 -2.761 -7.363 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 6.076 21.377 33.341 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 1.451 6.258 2.954 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 -1.845 25.488 -0.501 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 -29.307 -8.636 -11.446 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 1.870 1.275 -1.578 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 8.910 -1.888 14.540 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 7.532 2.614 10.059 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 0.852 -3.062 -0.563 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 9.646 3.939 4.058 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 3.776 -1.004 2.714 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 -7.445 6.993 3.001 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 -2.530 10.397 1.472 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 -14.352 12.498 -17.851 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 -3.310 3.287 3.255 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 -10.300 9.641 -3.615 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 5.653 7.000 5.166 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 -1.429 -0.216 -0.700 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 -12.337 11.024 -3.855 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 1.839 -13.571 -4.846 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 -6.236 -3.595 1.790 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 -25.750 6.717 -11.842 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 -18.688 -7.895 17.356 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 -0.230 0.744 4.049 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 13.233 15.045 25.492 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 -2.865 -7.931 -12.973 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 2.933 3.404 3.572 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 6.467 6.515 -2.627 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 -8.036 17.160 -11.246 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 -3.625 -1.485 -0.832 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 7.302 21.449 4.630 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 -14.923 2.017 11.381 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 0.056 -3.334 3.664 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 -9.492 -5.357 -10.771 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 6.393 -4.658 -6.417 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 -0.855 -5.252 1.072 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 4.519 -12.029 8.953 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 7.535 -6.569 -11.353 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 -2.700 -1.952 0.968 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 6.095 11.635 -21.688 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 16.388 3.377 -4.067 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 10.662 -2.136 -2.414 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 18.041 -11.120 -0.331 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 14.103 8.621 -2.269 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 2.698 -0.190 3.866 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 -24.843 -7.508 -11.376 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 0.219 -0.898 8.183 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 5.620 -3.621 4.063 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 9.480 -6.177 8.362 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 2.598 1.602 31.556 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 0.387 6.237 4.015 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 -13.521 -20.518 8.592 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 -7.147 -16.720 -5.260 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 0.427 4.827 0.023 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 21.044 -7.745 24.034 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 10.579 -8.707 -34.811 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 12.138 -2.607 -4.903 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 5.739 -6.921 2.270 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 9.027 -11.569 -9.482 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 0.283 0.417 -0.204 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 2.385 -13.428 -8.300 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 12.289 -8.255 12.523 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 -1.979 -2.977 7.042 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 -30.482 -0.173 -1.105 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 -10.089 -25.500 8.223 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 -0.587 6.052 -2.987 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 0.803 23.360 -1.432 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 2.679 2.661 -10.872 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 -1.933 -0.091 2.178 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 7.643 -7.533 6.810 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 -4.399 2.211 -6.398 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 -4.968 -4.734 -3.163 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 -6.032 -3.847 -14.229 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 -7.842 -10.114 -6.853 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 3.046 -3.415 -7.212 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 3.201 0.893 7.328 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 10.846 -7.379 17.807 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 -1.804 -4.630 4.056 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 5.415 11.632 -11.784 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 -2.142 -5.578 -19.587 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 -0.052 -0.821 -0.738 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 14.379 4.935 12.674 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 -7.737 -8.211 11.966 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 0.076 4.355 -1.419 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 21.986 9.240 -0.958 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 -6.072 5.547 -12.424 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 2.090 -0.061 -0.496 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 -3.385 21.310 32.320 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 8.003 -16.241 5.009 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 -4.291 2.770 0.443 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 -5.858 -32.380 7.942 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 -11.996 15.946 -10.419 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 -4.077 -1.640 0.999 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 8.227 -4.033 1.099 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 -5.455 -5.046 10.631 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 -4.477 -0.563 -1.829 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 -4.639 -7.211 -7.178 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 0.478 -2.161 0.327 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 3.581 -4.338 -3.176 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 -8.201 -30.120 -19.931 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 24.059 15.993 11.495 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 0.760 -2.129 3.769 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 7.949 2.691 16.990 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 -1.996 -8.292 6.809 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 1.004 7.409 -0.348 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 -10.108 19.154 -16.415 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 18.463 9.334 17.549 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 9.030 -2.312 -1.145 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 -15.006 8.747 13.107 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 6.241 29.222 31.184 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 1.205 1.806 -3.966 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 31.668 5.210 -0.405 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 -2.532 5.715 4.916 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 -1.338 1.640 8.395 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 -6.607 2.848 -6.878 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 -16.486 -0.160 -9.087 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 0.148 5.389 1.590 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 14.830 -3.594 7.901 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 28.365 -21.672 0.219 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 -2.138 3.836 -4.900 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 -9.852 0.927 -6.275 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 -5.284 5.772 -0.100 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 1.436 -1.422 1.389 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 -3.573 -10.836 9.085 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 12.918 15.024 -13.488 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 4.455 4.131 1.889 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 9.552 6.603 10.579 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 8.732 1.684 5.185 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 3.407 -3.521 -3.198 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 4.073 -3.779 1.991 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 1.488 0.563 1.450 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 2.516 3.616 -6.375 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 13.856 2.629 -14.434 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 11.922 -22.608 -10.798 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 5.274 -1.446 5.148 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 -5.418 -5.056 4.043 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 -5.990 -24.730 -11.082 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 -8.086 2.412 2.713 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 -4.122 9.599 12.146 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 -4.907 4.932 -3.993 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 -2.737 8.057 -4.939 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 -3.763 14.117 23.975 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 -2.652 12.662 9.568 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 0.467 -1.392 0.669 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 -1.155 23.260 12.428 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 -5.865 -8.082 13.348 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 -0.611 2.385 -1.721 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 -10.767 -9.373 -16.410 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 -2.852 -7.162 -7.877 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 1.803 4.990 -3.068 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 -5.057 -9.915 0.998 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 2.903 5.713 -3.318 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 4.989 1.283 -8.659 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 7.706 6.365 -15.065 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 7.590 7.701 -18.608 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 5.393 -1.228 -1.443 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 -7.842 -1.880 -0.444 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 -13.145 -21.149 5.703 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 -5.350 -0.506 1.205 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 -13.326 3.444 6.861 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 -3.549 -2.999 -3.368 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 0.090 2.260 -2.356 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 4.146 -2.631 -2.257 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 -2.063 -7.417 -4.839 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 -7.787 1.815 -0.183 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 -19.291 -8.432 -1.958 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 -4.150 -14.081 -3.774 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 -1.281 2.544 0.528 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 3.147 14.304 -0.041 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 9.764 17.021 8.918 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 4.710 2.129 -3.615 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 -14.790 7.831 -2.801 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 14.330 -11.735 7.104 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 -4.574 1.176 5.354 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 5.716 4.570 5.118 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 -1.679 -3.220 17.180 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 9.133 -4.133 -9.990 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 18.935 3.460 -14.450 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 -30.804 -19.756 -0.548 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 -1.384 -5.806 4.562 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 -8.352 -18.170 13.181 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 -0.430 -7.197 -6.923 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 -3.784 1.268 2.360 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 9.161 -1.830 12.262 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 4.237 12.679 5.183 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 -3.559 -3.098 2.117 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 -5.750 6.222 -3.712 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 0.436 -4.260 5.149 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 3.110 0.950 -1.165 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 -17.722 -6.258 21.165 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 -5.546 4.088 -32.280 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 11.471 6.244 -2.346 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 13.181 6.729 -0.746 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 1.161 8.791 -5.804 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 -8.960 2.351 6.426 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 12.852 0.583 4.661 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 -13.290 -16.449 5.523 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 -1.579 -1.822 2.122 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 -2.310 2.462 2.294 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 -1.884 3.870 -0.492 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 -5.668 -0.396 0.962 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 1.705 -0.304 -13.605 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 0.078 -2.800 9.767 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 -2.395 -5.418 4.862 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 21.861 -20.376 -3.607 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 -13.670 -21.673 25.376 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 -3.232 -3.065 1.829 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 0.706 -5.616 -5.561 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 5.114 -5.712 -6.567 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 0.087 3.651 -4.598 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 7.474 5.973 -4.548 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 -1.220 3.891 -7.062 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 -6.709 -1.956 4.304 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 12.328 -0.617 15.366 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 -30.040 24.451 16.754 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 0.489 -0.985 -0.380 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 5.980 -0.103 -4.026 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 1.750 2.892 3.389 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 0.375 5.168 -1.665 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 7.031 14.336 9.997 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 10.102 12.522 11.892 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 -4.329 -5.433 3.918 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 -18.475 14.787 -2.421 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 21.303 -10.750 -0.576 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 -0.612 7.035 -0.262 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 -0.358 4.435 -5.822 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 -0.482 -3.759 -6.765 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 -2.108 3.271 -6.017 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 3.804 0.516 0.418 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 -7.408 0.912 8.739 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 -1.736 1.725 -6.224 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 0.330 -1.747 -5.912 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 -11.764 -5.257 -1.448 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 1.948 -1.057 2.492 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 2.041 1.297 7.510 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 17.373 -7.403 -7.526 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 2.983 -2.513 4.181 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 0.535 -8.241 0.952 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 6.578 -4.844 4.469 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 5.858 0.218 -1.599 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 -6.765 -5.421 -0.951 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 16.348 10.225 0.681 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 -5.599 -4.991 1.851 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 -25.798 10.376 -10.227 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 2.280 7.295 15.318 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 0.454 3.464 -5.581 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 -0.608 12.353 -1.773 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 -4.253 -23.267 -6.349 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 4.261 5.071 0.584 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 -15.002 -3.881 -14.545 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 2.795 5.542 0.433 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 0.798 -0.450 -3.559 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 -7.504 4.115 8.554 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 5.252 -5.931 -3.975 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 2.808 -1.685 5.579 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 -17.096 2.510 -5.383 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 12.481 -1.196 -7.610 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 -1.104 3.721 -1.841 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 -6.532 -6.271 -4.020 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 -0.809 4.125 0.971 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 -15.776 -5.387 -6.792 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 22.262 -3.539 22.831 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 -10.514 15.497 8.883 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 -0.951 3.265 -0.302 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 6.109 6.722 8.091 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 -9.679 0.551 9.426 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 3.928 1.928 2.160 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 16.399 -1.454 -8.503 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 2.085 26.203 8.370 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 -0.442 -5.343 4.491 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 -17.044 -5.920 6.377 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 16.509 -13.795 2.437 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 0.592 -1.778 5.213 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 13.378 4.274 -3.538 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 -3.303 -2.590 6.997 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 -0.037 13.354 1.011 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 6.182 10.109 1.677 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 -8.750 3.370 -1.278 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 -3.004 -0.628 3.265 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 -0.124 -2.670 1.484 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 -3.878 -1.995 4.789 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 2.142 -1.091 0.366 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 -3.579 -0.542 11.491 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 0.379 14.861 8.213 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 -2.392 -0.042 0.472 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 5.759 7.466 -1.770 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 -24.020 -4.342 -0.221 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 -1.102 2.286 1.619 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 -3.566 -7.673 -11.952 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 -3.917 5.796 6.734 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 -2.718 0.380 0.847 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 6.968 -0.550 13.225 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 -14.681 -5.288 5.006 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 -0.890 5.422 -1.529 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 18.918 7.612 10.943 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 21.973 1.896 -26.543 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 0.522 -0.690 -2.983 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 -13.794 -11.910 12.810 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 8.408 14.552 8.951 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 -8.128 0.692 -4.116 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 11.929 -5.593 14.603 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 -17.910 3.863 1.629 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 -0.834 3.971 -2.571 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 8.379 19.892 1.398 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 5.979 -26.426 -4.615 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 1.942 2.328 5.801 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 4.541 -27.235 0.938 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 1.907 -8.069 12.800 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 0.683 -2.669 5.522 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 -8.219 1.869 2.503 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 -7.021 0.059 -2.114 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 -1.851 -1.352 0.598 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 -10.247 -9.157 2.150 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 5.559 -0.265 4.607 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 6.664 -2.997 -3.234 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 -9.264 -10.321 7.529 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 -21.073 -7.284 -6.537 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 -1.358 -2.132 1.916 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 -7.751 3.815 4.563 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 -3.290 -14.077 8.692 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 3.617 -1.329 -4.222 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 12.607 25.909 -11.064 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 15.773 -27.476 -12.589 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 -1.378 -2.476 0.975 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 -2.247 9.670 1.509 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 -7.602 -3.569 3.879 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 -5.293 0.106 5.826 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 1.223 -8.500 -7.979 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 -29.092 22.711 4.222 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 -6.899 -0.505 -1.967 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 -7.445 -4.656 -11.493 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 -18.143 -4.356 7.967 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 -1.401 -4.165 0.426 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 -8.214 8.018 0.905 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 -14.215 19.677 -8.318 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 -1.211 -5.116 -0.678 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 41.763 -5.226 -8.532 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 -4.512 -10.776 -1.389 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 3.255 0.097 -2.716 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 25.564 -1.217 -5.487 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 2.966 -8.860 -0.679 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 -4.919 -1.117 3.590 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 15.517 -8.066 10.203 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 -5.811 0.529 3.385 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 -0.905 -6.072 -1.493 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 10.589 -1.802 -15.141 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 3.340 12.452 11.678 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 2.879 0.644 4.966 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 4.956 -1.817 -1.242 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 16.943 6.293 0.674 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 0.598 3.723 0.778 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 4.144 16.492 0.468 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 -5.757 2.824 -11.298 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 -6.321 1.576 -3.153 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 -1.802 -6.180 -12.339 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 -11.057 12.708 -8.033 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 4.860 -1.020 1.582 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 11.072 8.399 -3.828 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 3.984 -10.455 -22.395 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 6.284 -1.242 5.302 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 -5.019 -0.849 -3.092 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 9.776 -11.754 -1.306 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 11.133 -4.803 -3.705 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 10.811 13.048 -11.338 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 3.426 -38.094 -0.769 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 -0.982 3.208 0.930 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 -3.379 23.314 -1.446 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 0.909 -5.245 -16.678 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 6.088 -9.108 5.759 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 5.072 -19.083 16.157 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 2.898 -11.798 2.273 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 -3.573 -1.073 -0.502 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 8.360 15.008 5.900 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 -4.492 -3.688 0.393 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 2.044 -0.226 -0.966 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 5.768 -11.395 4.431 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 2.810 -2.404 -0.398 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 4.296 1.850 -1.301 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 5.370 -3.327 -2.541 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 9.742 2.538 2.100 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 -1.621 -2.493 4.587 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 6.029 -0.762 15.512 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 -1.101 15.427 -10.045 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 -5.905 9.025 3.968 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 12.077 10.929 3.518 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 6.767 20.152 -1.782 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 -2.526 1.135 -1.254 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 25.977 27.337 0.642 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 -10.145 5.552 5.083 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 -4.736 -1.008 -0.905 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 1.696 -5.188 -3.056 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 -0.926 -3.520 -2.619 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 -1.389 4.499 4.402 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 -3.178 3.175 -1.819 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 -12.101 4.131 10.559 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 -3.640 -3.991 1.625 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 2.932 9.791 -9.842 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 -1.904 2.812 -5.128 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 -1.839 1.165 2.351 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 6.395 7.487 -6.313 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 -0.948 -6.776 13.776 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 3.474 2.514 -4.445 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 3.022 11.408 -9.631 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 4.741 -24.851 4.924 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 0.020 4.433 3.916 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 16.430 -4.094 7.730 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 -3.487 4.217 -1.468 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 -6.143 1.212 5.800 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 3.428 -19.064 -1.053 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 11.611 9.226 0.261 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 1.839 -0.390 -1.889 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 -11.316 4.774 -19.014 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 -1.816 16.762 12.861 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 -4.660 -0.990 0.826 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 -6.036 3.081 -2.122 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 -11.855 3.463 -1.050 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 3.591 0.724 2.869 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 -14.397 14.655 -13.295 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 -9.965 13.189 -8.365 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 1.032 -0.883 -1.794 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 2.526 0.892 6.231 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 4.679 -4.405 -7.116 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 1.902 -0.245 -6.592 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 0.160 10.398 -16.047 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 -2.728 -13.463 0.608 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 -2.311 -2.870 1.622 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 -7.527 -17.962 3.228 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 4.529 9.160 10.153 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 8.556 -2.857 -5.179 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 -0.793 -18.903 -9.274 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 17.326 13.058 -1.077 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 2.145 5.550 -0.040 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 -7.920 0.954 -15.343 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 10.182 19.584 8.767 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 7.584 0.484 -1.574 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 -0.259 8.454 1.792 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 5.188 2.875 5.146 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 1.737 -6.086 4.675 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 1.107 -7.037 10.829 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 4.766 -3.482 -4.593 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 2.383 -2.963 4.128 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 -1.608 -25.760 8.921 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 -19.248 9.408 -10.961 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 6.489 -6.479 1.374 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 -2.178 1.216 -13.969 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 17.294 4.552 1.235 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 -3.480 5.269 3.133 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 -14.900 20.777 23.271 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 -6.649 -15.615 13.523 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 3.316 0.954 1.821 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 1.107 9.932 16.620 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 10.814 7.440 -17.360 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 7.848 0.171 7.385 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 3.500 -18.365 10.409 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 7.352 -0.592 7.562 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 0.988 -4.843 -1.858 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 3.503 -10.079 -10.148 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 0.128 -2.564 1.128 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 -3.250 -4.728 0.978 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 -11.897 -2.609 -5.905 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 6.555 5.725 13.333 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 3.252 -10.884 -7.223 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 3.805 -11.335 -7.699 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 12.378 -9.160 7.062 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 3.438 8.971 1.104 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 -13.805 -14.711 -5.744 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 16.431 0.435 5.952 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 -2.521 2.606 -8.065 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 1.933 6.671 30.738 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 9.101 -18.222 -12.982 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 6.450 1.163 -4.611 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 26.530 -10.428 5.396 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 12.674 -7.808 -13.717 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 3.686 0.868 5.567 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 9.616 -6.250 3.865 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 5.912 -7.107 9.192 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 -0.344 2.393 -1.963 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 7.037 -3.959 -12.502 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 14.339 -3.795 -16.163 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 -5.379 1.946 -4.064 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 -8.633 1.026 16.927 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 -17.277 -12.890 -12.454 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 -2.980 9.034 -3.076 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 19.938 5.426 -5.614 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 0.672 -3.298 -20.078 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 0.910 1.556 -0.876 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 9.945 2.741 5.939 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 -4.795 8.916 6.492 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 -1.052 -2.674 -4.508 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 14.220 -2.920 17.254 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 12.768 -6.082 -24.721 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 0.846 -0.105 -0.907 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 6.519 -1.016 2.403 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 -6.030 -7.743 0.206 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 -4.053 -1.112 -4.774 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 1.101 8.863 5.874 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 -3.259 16.446 -2.571 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 2.340 2.058 -1.771 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 -4.812 -3.850 4.613 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 -0.487 4.924 7.958 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 -1.482 -1.808 4.415 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 7.377 -21.267 1.616 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 -20.115 2.957 -0.728 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 0.521 -1.981 -0.808 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 -3.039 -0.059 12.278 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 0.438 2.168 13.784 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 3.987 -5.959 -3.825 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 -19.307 7.899 -34.245 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 19.832 34.227 -8.966 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 3.834 0.976 -2.148 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 15.102 -24.819 12.162 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 5.872 5.550 1.024 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 -0.904 5.789 -1.240 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 -4.290 3.845 -2.451 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 -0.763 12.459 1.992 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 0.984 -1.075 0.807 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 9.532 -1.899 -1.104 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 4.151 4.820 -0.571 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 -0.188 -0.708 1.305 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 -3.202 -4.818 9.473 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 -6.033 5.757 -2.624 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 -0.843 4.574 -3.406 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 12.337 5.447 -7.945 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 -3.079 -8.257 -6.090 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 11.475 2.260 -3.449 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 -1.141 10.649 13.810 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 4.824 -12.271 11.030 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 -1.894 -2.209 -2.598 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 -18.982 7.785 13.715 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 -2.413 22.449 -25.635 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 -5.597 -6.234 -0.649 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 10.791 13.815 28.728 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 -2.239 -10.854 -4.017 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 -2.708 -6.113 -6.064 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 11.025 -10.089 -1.215 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 -2.199 -3.684 -9.811 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 0.830 9.362 3.103 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 18.178 -1.184 -10.172 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 -3.399 2.696 -4.404 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 1.865 4.439 4.340 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 7.087 5.544 8.946 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 -5.799 10.288 4.443 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 -1.956 3.298 2.881 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 -12.397 2.367 12.809 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 1.946 20.843 -2.441 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 -1.423 2.611 0.609 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 -1.149 -13.400 -16.506 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 -10.557 10.538 -4.173 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 5.829 -3.957 8.977 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 0.110 -5.956 -0.522 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 12.300 7.850 12.783 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 -6.546 0.637 -1.176 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 3.995 -17.174 -5.867 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 3.992 4.909 -10.192 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 2.861 -0.621 4.361 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 18.638 -0.341 5.213 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 -7.084 -11.204 -6.296 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 -1.089 -1.130 -2.161 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 -32.723 16.850 13.959 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 27.941 -27.650 -1.317 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 -3.026 -3.197 -0.293 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 -11.194 -9.008 7.650 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 2.724 1.970 -5.580 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 -0.106 6.894 5.781 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 -16.500 5.132 -9.466 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 -19.682 5.332 -6.966 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 2.129 -5.177 4.002 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 2.449 1.977 -1.153 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 2.644 2.494 0.261 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 -4.445 0.152 4.028 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 -10.508 1.106 -27.296 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 -4.982 -6.746 10.269 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 -5.037 -1.916 -1.169 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 10.307 -7.205 -4.330 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 21.367 -3.489 -3.541 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 -6.180 -3.905 -6.009 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 -14.880 9.348 -5.461 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 6.206 -23.252 13.474 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 2.266 0.069 3.162 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 2.922 11.322 0.112 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 6.805 4.130 7.827 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 -4.739 0.366 -2.136 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 0.894 -11.203 -15.195 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 -0.071 -5.480 -10.742 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 -2.366 -3.329 5.464 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 32.310 -7.986 14.498 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 4.568 9.094 -2.304 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 2.674 3.941 -2.780 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 1.707 0.440 -26.804 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 35.808 12.237 14.488 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 -1.177 -2.412 -6.407 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 18.624 -30.558 -12.293 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 -5.621 -1.930 -4.245 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 -6.096 5.355 1.972 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 -2.041 -5.569 -3.015 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 4.556 -4.244 8.423 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 0.878 -0.888 -4.373 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 -1.831 -1.023 -1.726 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 2.735 -2.936 -6.218 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 0.464 -9.279 1.374 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 -16.785 4.353 5.909 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 0.453 -8.765 4.064 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 -2.219 -1.374 2.325 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 -9.526 0.717 13.808 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 -6.316 -23.206 -7.308 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 -4.265 -1.235 5.469 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 13.247 20.220 1.171 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 -3.942 0.221 5.354 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 4.247 4.905 8.833 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 2.979 7.167 6.985 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 1.224 -4.287 4.260 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 4.496 2.449 0.839 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 2.528 -6.133 0.320 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 -0.594 4.700 -4.385 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 -3.343 4.787 5.567 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 -37.581 -3.664 14.367 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 1.691 7.241 18.721 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 -1.583 5.024 -1.616 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 11.085 -9.966 2.011 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 -15.401 10.679 14.647 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 6.266 1.728 -2.971 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 0.248 3.016 6.333 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 19.244 -32.246 25.488 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 1.203 2.335 1.152 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 -23.144 10.008 26.600 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 -3.654 -24.926 9.557 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 1.334 3.957 2.955 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 -29.899 -4.752 -6.334 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 29.456 10.690 10.436 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 4.883 2.722 -3.522 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 20.923 -2.354 -4.069 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 2.833 12.026 5.782 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 -1.882 0.490 -2.523 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 -4.776 8.584 0.474 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 9.684 -5.387 -0.739 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 0.848 -1.747 -2.671 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 7.248 6.575 11.565 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 20.858 10.751 2.543 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 7.728 -0.671 -2.469 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 4.156 7.837 1.246 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 3.032 6.921 -10.073 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 -3.474 -5.539 -0.007 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 4.864 -0.243 -7.478 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 -5.794 -8.491 3.287 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 -2.024 3.557 -5.250 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 7.648 -5.142 -14.020 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 7.541 -1.742 -13.686 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 -3.431 5.217 1.671 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 -5.894 -20.076 6.107 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 -21.892 -0.440 -18.112 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 1.674 -1.596 -3.105 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 21.192 -16.839 12.912 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 -16.982 -6.363 -8.672 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 -0.030 -0.237 5.560 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 -10.717 -13.537 16.506 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 14.209 -25.993 1.402 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 -9.503 -1.187 -0.113 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 16.635 25.193 12.156 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 12.581 -12.018 13.241 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 -7.422 3.024 -2.213 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 -5.878 7.318 4.793 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 7.050 -4.641 -13.226 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 -2.844 4.048 6.164 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 0.837 -2.742 -3.018 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 -8.751 17.453 17.917 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 -3.354 8.685 4.479 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 -5.209 4.514 13.396 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 -6.984 3.251 -19.192 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 -3.137 2.724 9.072 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 5.598 -11.827 -6.502 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 2.856 -13.743 -11.471 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 0.102 -0.708 2.150 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 0.181 -21.605 8.855 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 -5.509 16.626 -9.333 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 1.448 0.845 0.131 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 14.637 -9.540 3.063 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 5.749 -3.051 5.660 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 1.084 3.610 1.276 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 16.969 44.915 -3.617 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 -33.016 -0.583 -19.907 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 -0.745 -0.795 6.257 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 -17.644 -3.677 20.486 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 18.535 5.171 -18.555 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 1.484 -2.220 1.278 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 4.014 -19.762 -1.428 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 2.048 -10.798 0.778 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 0.718 -2.418 -0.724 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 -4.762 14.603 26.653 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 7.399 -21.215 -14.283 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 -0.574 -0.381 3.940 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 10.805 -4.570 34.057 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 -4.819 7.409 10.710 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 3.703 2.981 1.202 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 0.390 8.760 -11.822 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 35.009 -35.683 37.233 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 -0.783 2.785 1.245 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 -3.655 0.058 11.067 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 -8.947 -11.703 -0.272 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 -6.776 10.313 0.421 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 -2.932 9.187 6.211 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 -14.260 11.350 5.291 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 -0.542 -4.091 -5.127 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 -8.648 -8.968 11.288 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 15.866 -2.679 -0.276 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 0.263 2.449 -0.279 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 -1.559 -4.165 6.916 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 -1.414 -9.016 5.147 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 -0.688 0.771 3.113 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 -3.154 2.711 18.665 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 -2.030 1.408 10.256 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 -5.812 1.467 -3.557 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 8.254 5.839 -4.079 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 -6.777 -9.624 6.589 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 -6.464 -5.644 6.799 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 0.174 1.713 3.511 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 -9.535 0.528 15.219 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 -2.187 -4.385 -5.943 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 -3.802 5.595 1.959 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 -6.843 13.492 5.553 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 7.692 1.460 -4.913 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 -0.888 -14.461 6.501 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 -0.986 -1.359 -0.627 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 0.578 0.397 5.958 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 -0.802 5.640 3.498 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 1.616 -2.015 2.081 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 6.341 0.012 -4.981 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 2.544 3.825 -11.490 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 -22.879 -0.786 1.517 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 3.161 1.376 -0.865 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 -7.800 4.868 -9.919 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 13.519 0.435 5.644 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 0.235 -8.332 -7.531 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 5.917 -4.555 -2.061 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 -6.616 -3.047 -7.261 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 1.820 -4.694 1.008 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 -3.595 6.224 14.236 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 0.260 -5.275 0.950 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 2.320 -3.075 0.953 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 7.321 -20.336 4.154 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 -13.347 3.386 -3.829 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 -1.787 -4.471 3.818 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 -11.463 0.864 31.333 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 -2.655 -3.047 20.692 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 3.695 2.051 -5.934 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 -3.440 -3.565 -2.210 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 5.855 3.386 -8.098 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 -3.987 -3.128 -0.325 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 -18.650 2.152 15.138 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 7.776 -2.952 10.087 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 -0.997 -0.621 -2.740 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 7.487 -1.349 1.011 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 -5.611 27.556 -15.303 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 1.396 7.399 3.285 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 5.249 -20.485 5.986 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 5.109 16.189 -7.611 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 -0.029 -3.348 -1.066 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 -2.211 4.875 -5.692 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 -1.260 -5.885 3.636 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 -3.639 3.415 4.347 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 -11.356 17.177 13.986 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 -17.538 -16.804 -6.336 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 4.878 6.080 2.515 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 2.278 2.363 9.027 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 -7.853 0.947 8.011 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 -1.429 0.107 -5.337 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 4.026 -0.777 -5.647 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 -13.900 -0.626 14.996 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 -3.868 -4.318 -2.718 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 -15.836 -16.366 8.016 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 1.562 0.540 25.085 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 0.607 0.775 1.355 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 -8.677 9.492 -16.836 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 -9.654 -8.412 19.739 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 0.629 -3.139 -2.049 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 5.799 1.106 -19.458 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 13.506 -3.153 6.327 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 -1.798 -4.544 4.760 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 -1.136 -4.552 2.109 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 -1.356 -4.944 2.489 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 3.004 6.296 -5.152 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 -17.104 27.012 -2.778 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 3.021 18.526 -15.244 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 -3.025 0.095 0.796 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 -5.808 -4.034 -1.765 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 1.940 -16.875 12.643 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 -2.642 6.747 -3.782 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 2.568 -11.112 12.924 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 29.937 12.840 2.003 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 -0.123 1.199 2.168 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 -2.418 20.736 3.714 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 10.987 -10.906 -2.578 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 3.742 -2.908 8.020 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 -6.393 -10.639 -13.150 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 -7.261 2.672 -0.084 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 0.720 -2.392 1.384 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 10.768 10.304 24.145 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 10.928 10.296 19.013 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 1.187 -0.818 -1.628 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 3.225 -1.044 33.726 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 -1.870 -3.480 -9.791 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 2.933 -7.201 1.881 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 -8.501 20.974 -5.058 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 25.750 -5.851 -13.519 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 -1.777 3.872 -0.235 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 -17.680 5.392 -21.896 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 9.230 4.248 14.436 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 2.151 -3.423 1.214 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 -3.259 -0.605 11.646 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 1.208 -0.130 5.555 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 5.862 2.560 -3.400 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 -2.363 -3.261 9.385 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 -9.290 3.723 -2.286 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 2.416 -0.733 2.499 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 -23.921 13.505 2.889 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 11.914 0.230 11.133 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 -3.020 -5.186 -4.335 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 14.922 -0.272 -2.245 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 -9.697 21.251 -11.356 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 -7.375 7.782 -5.663 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 2.678 3.477 -14.973 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 -11.248 -24.578 17.194 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 -4.143 -1.967 -0.596 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 -21.265 4.403 13.028 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 -10.698 6.912 -23.046 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 -0.461 -0.778 -4.665 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 -1.826 -1.580 3.157 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 -5.632 3.415 -6.104 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 -0.173 -2.161 3.346 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 1.651 -8.153 1.768 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 0.317 -1.844 2.494 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 0.219 -1.298 5.152 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 -21.375 -3.385 -7.976 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 -8.090 -11.173 -16.285 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 -0.935 0.916 4.355 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 6.642 0.919 -0.808 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 5.289 -9.645 1.452 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 1.368 -3.065 0.846 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 5.457 7.422 -21.442 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 3.678 -6.233 12.459 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 2.018 6.252 3.440 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 18.763 -25.587 10.700 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 -19.570 15.454 -20.098 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 3.224 3.780 -3.190 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 -3.483 16.896 -21.425 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 11.303 -3.796 10.722 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 1.789 -0.118 -1.849 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 5.032 34.143 -3.818 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 -27.872 -1.063 23.155 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 -0.295 -1.019 -2.782 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 13.278 -6.825 -8.169 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 2.067 -3.359 -5.603 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 0.321 4.673 -6.372 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 13.836 -9.930 0.151 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 -3.098 14.371 1.866 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 -3.217 -2.770 -1.514 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 13.584 27.614 8.689 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 0.699 6.663 -1.918 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 -2.229 -0.814 2.824 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 -1.141 -23.210 11.541 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 -45.370 -20.654 2.658 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 -0.389 -2.652 -3.078 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 -1.147 -15.489 -24.776 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 5.884 14.979 6.575 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 7.178 -4.309 6.136 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 8.184 -11.697 -18.728 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 8.142 -12.197 -20.508 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 2.877 0.798 -0.494 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 3.098 16.700 1.312 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 -3.743 -7.233 6.536 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 1.321 -7.051 -1.966 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 -1.801 7.971 1.925 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 13.829 -6.397 2.135 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 1.001 1.874 -3.197 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 -0.961 -10.920 -7.311 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 5.302 7.379 -13.939 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 -1.975 2.743 -0.687 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 -8.116 2.462 -8.723 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 9.492 0.720 18.758 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 2.382 -5.131 4.684 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 -2.238 -1.721 -5.724 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 -1.114 -4.821 10.653 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 -1.450 -0.624 -1.207 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 13.237 -3.877 -9.899 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 -5.421 -2.419 -2.433 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 -4.020 -1.437 -3.482 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 -1.615 9.372 -0.906 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 -0.553 -7.829 6.983 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 7.396 3.909 1.954 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 6.383 26.375 -4.057 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 6.742 -9.959 -21.388 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 -0.491 -4.221 -3.815 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 2.483 -2.125 6.153 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 -3.336 5.046 -6.616 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 -4.886 6.374 -4.221 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 -13.430 4.067 -1.690 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 -2.268 21.127 -1.554 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 -1.138 1.655 2.216 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 -16.776 12.288 -2.841 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 12.421 14.314 7.184 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 -4.265 -3.960 1.510 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 1.547 -16.554 21.657 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 -4.995 14.703 -31.605 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 0.681 -2.689 0.035 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 -7.655 3.009 4.842 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 8.349 -0.122 13.975 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 10.858 -1.379 -0.162 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 6.659 0.578 1.124 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 11.415 1.396 -0.132 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 4.379 -0.207 -0.073 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 22.717 12.667 2.584 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 -8.156 31.702 -13.789 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 2.524 2.636 5.615 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 -10.893 -9.574 -17.304 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 -0.935 5.104 -2.903 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 -2.940 2.626 3.067 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 -6.546 -9.934 -4.220 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 4.439 5.386 8.265 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 0.504 -8.332 0.983 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 -3.674 -9.688 15.962 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 -4.765 -0.148 -33.853 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 -1.214 -3.479 1.482 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 -6.459 -3.225 35.092 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 1.991 -5.534 2.669 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 1.339 2.640 0.741 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 13.832 19.629 -9.799 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 -0.939 -5.233 20.123 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 0.156 4.282 4.257 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 2.892 25.129 -6.626 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 0.615 -4.136 -4.801 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 -5.045 3.823 -4.906 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 -4.239 16.747 12.914 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 2.769 15.585 8.669 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 -9.200 -0.927 4.251 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 21.936 21.229 17.059 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 -0.766 -8.201 21.916 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 -0.520 -2.408 0.124 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 6.091 12.371 -2.970 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 -15.598 -9.164 -9.291 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 4.357 -1.363 0.765 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 36.140 -3.632 16.630 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 20.479 -21.390 3.718 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 -5.899 -5.463 4.444 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 -0.716 -5.594 -1.865 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 2.850 -2.766 -2.036 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 -0.695 -0.908 1.135 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 -19.098 16.173 -0.155 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 -19.164 -20.269 1.618 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 0.168 -0.743 5.135 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 17.258 6.443 4.417 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 22.328 9.444 3.929 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 -0.674 -2.397 6.084 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 -13.445 5.073 -11.778 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 -6.908 -2.277 -1.796 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 -2.727 -3.762 -0.964 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 -2.895 -5.845 -5.480 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 -1.357 1.530 10.964 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 -4.215 0.845 -3.187 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 -2.860 -1.715 -7.391 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 2.042 -6.963 7.191 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 2.554 1.894 -7.904 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 -9.444 4.452 -3.239 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 33.220 27.364 -7.804 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 -2.025 -3.536 0.328 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 2.283 -7.776 2.693 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 0.291 -13.634 -13.596 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 3.797 1.992 -5.350 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 -9.833 -2.652 -19.656 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 6.969 -5.817 15.174 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 0.678 -1.805 5.135 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 0.894 -2.306 6.746 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 7.732 6.799 -30.607 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 -3.157 -4.274 -0.112 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 -11.770 -16.059 5.452 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 6.545 -12.522 -8.720 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 -3.683 4.126 -2.539 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 -9.926 -3.625 -3.077 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 6.039 7.684 -0.447 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 -2.699 -1.446 -1.618 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 -4.540 2.331 -3.646 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 3.464 1.569 0.546 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 4.445 -4.224 -0.477 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 18.771 0.180 -7.198 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 6.037 -14.437 -11.737 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 -6.291 -0.481 4.214 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 -11.336 0.531 1.899 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 -7.238 -1.053 9.793 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 3.323 2.686 1.362 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 -1.973 -14.974 7.053 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 -11.007 10.804 -10.258 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 -3.326 -2.475 4.037 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 -4.980 -3.201 4.305 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 -22.199 6.419 5.718 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 -0.003 3.384 -4.226 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 3.552 11.503 -3.512 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 -1.890 7.384 -6.483 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 -3.738 -3.735 6.933 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 -1.891 13.182 14.290 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 -7.405 11.813 15.601 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 2.767 -3.927 -6.199 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 13.921 -9.277 -8.325 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 5.123 -2.797 -26.861 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 -3.412 -3.449 -9.507 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 -33.883 -21.436 14.025 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 15.013 6.578 -24.843 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 0.491 0.645 0.225 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 -9.425 19.399 -0.791 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 6.850 3.314 12.079 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 -1.048 -0.884 4.035 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 5.203 -3.207 -10.620 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 -0.460 20.750 6.032 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 9.231 -2.877 -10.385 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 -5.785 -24.253 -6.641 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 -1.252 -20.335 28.529 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 -3.960 -5.165 1.181 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 -12.576 2.454 11.002 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 13.538 -1.053 -13.746 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 -1.893 -7.505 4.497 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 -4.092 -6.753 1.081 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 -31.774 1.112 -25.986 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 2.168 5.859 0.809 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 -3.014 1.972 -8.048 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 4.626 12.378 17.854 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 2.417 0.228 -5.631 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 7.479 4.261 6.511 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 29.003 -34.293 -40.775 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 6.190 -0.272 -2.495 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 8.450 0.273 -0.554 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 7.195 -0.811 -3.789 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 1.722 0.152 1.831 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 6.489 12.103 24.904 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 -1.651 -6.398 5.478 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 4.987 2.133 -3.708 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 10.095 -10.187 5.768 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 8.069 0.890 -22.704 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 -0.409 -1.366 0.776 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 27.614 17.739 -0.974 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 5.868 8.256 8.952 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 2.277 1.401 -3.224 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 -5.041 11.217 -7.856 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 -18.008 17.573 -8.303 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 4.389 -2.986 1.073 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 -0.734 -9.329 11.592 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 19.970 -0.831 -0.205 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 -2.946 0.076 3.832 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 -2.349 -0.265 15.983 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 20.808 -4.004 -0.579 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 -1.026 -6.348 6.261 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 -0.419 19.464 7.302 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 12.171 9.760 6.898 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 -14.383 -3.962 3.865 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 -13.631 -7.163 3.558 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 -16.960 -1.134 0.635 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 6.236 -5.316 0.059 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 3.568 -34.362 -18.180 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 2.410 -11.138 -3.735 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 5.688 2.448 -4.127 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 -12.938 -7.268 38.557 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 -2.111 -1.555 19.466 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 2.127 -1.735 2.678 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 -6.812 -1.018 0.435 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 14.447 7.260 -5.964 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 5.337 1.847 7.605 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 -0.111 4.199 18.744 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 24.615 -9.645 -42.564 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 -2.952 2.808 0.320 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 5.488 3.595 -1.950 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 -0.974 10.276 2.527 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 1.771 6.085 2.826 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 -3.385 8.884 15.691 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 -1.525 -36.876 -3.367 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 -0.771 -0.686 -3.250 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 17.034 4.206 -2.147 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 -27.761 -2.980 -12.588 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 6.259 3.274 1.624 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 1.336 -21.259 -5.952 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 -4.585 27.873 11.061 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 0.791 2.278 -1.221 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 19.358 20.077 2.558 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 2.205 -12.650 20.332 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 0.573 1.247 -0.083 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 14.306 -4.454 -18.987 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 -8.796 10.411 2.580 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 -1.804 1.277 -2.615 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 -14.251 0.598 17.139 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 7.247 -24.183 -2.783 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 -2.442 6.861 1.747 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 -14.167 5.441 -6.354 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 -1.757 4.791 4.317 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 0.106 6.740 -1.072 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 3.566 8.204 0.237 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 -5.082 -1.067 -1.870 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 -1.424 2.425 3.276 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 -4.282 -7.942 -6.681 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 1.258 1.280 13.143 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 2.945 -0.248 -0.376 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 1.770 -24.448 -10.094 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 2.963 17.407 -11.503 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 -0.762 2.759 2.608 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 -0.606 13.519 7.007 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 2.983 -12.991 -2.777 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 -3.883 1.998 2.791 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 -2.371 18.125 19.095 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 11.082 -5.794 7.253 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 -4.991 -5.913 -5.981 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 2.507 -10.985 1.154 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 -6.624 -3.230 -11.444 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 -2.708 -0.851 -3.839 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 -4.589 5.527 -2.753 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 -6.487 -12.959 5.330 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 -5.093 -0.213 -4.781 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 -14.532 2.482 -2.877 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 22.699 1.934 12.928 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 2.389 -1.038 -5.165 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 1.103 -2.598 -7.843 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 5.968 1.474 -11.458 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 -0.345 5.382 -1.173 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 -2.256 0.037 8.533 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 -13.702 2.528 5.945 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 -1.882 -6.199 5.053 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 0.603 -6.419 13.058 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 7.022 1.219 -9.268 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 1.638 -1.844 -2.091 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 -2.136 -4.460 0.400 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 3.675 0.768 -2.717 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 4.237 -4.169 3.079 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 -9.512 -10.574 2.483 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 29.813 -4.554 16.609 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 -6.382 3.325 3.097 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 -10.290 15.419 9.995 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 -12.097 9.309 -32.091 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 5.142 -1.500 4.274 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 1.987 8.922 -12.404 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 3.002 7.508 -7.335 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 1.043 -4.006 -0.734 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 20.790 13.788 1.112 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 10.450 1.444 3.822 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 0.391 -0.588 2.171 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 13.308 -0.764 -3.500 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 -6.363 -0.011 3.050 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 -0.874 -3.659 -3.426 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 12.514 1.462 2.109 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 -10.368 9.424 -1.361 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 -1.223 6.156 -3.145 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 9.238 -9.349 -9.466 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 13.754 4.785 3.731 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 -0.721 -8.666 -0.445 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 -8.773 3.085 5.411 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 -4.745 -4.307 3.498 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 2.216 2.463 3.031 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 -28.920 26.033 11.539 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 2.910 -18.276 -3.725 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 6.742 -7.465 -3.190 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 7.824 -8.445 -5.495 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 7.494 -8.695 -3.676 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 5.221 -2.093 0.977 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 -1.395 8.314 5.263 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 -0.139 -0.661 -0.307 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 -0.165 -3.306 -6.310 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 5.312 -2.634 -10.415 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 -15.920 16.445 17.304 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 1.790 -0.027 0.990 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 19.364 13.528 4.991 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 13.949 13.163 -1.734 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 -5.956 -3.087 6.189 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 19.016 -13.916 8.277 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 -15.405 -1.456 16.202 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 -1.417 0.801 7.163 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 4.834 -3.482 -4.274 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 3.050 -9.041 18.447 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 -5.161 0.690 3.887 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 -13.550 -21.198 21.530 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 -12.385 -7.639 12.916 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 1.743 -1.097 -2.237 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 -4.116 -3.560 -6.994 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 -0.351 4.650 -10.622 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 2.494 1.189 -3.289 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 -0.495 -10.544 -0.160 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 23.709 5.994 -8.597 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 -2.267 2.403 -4.150 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 1.964 -6.040 10.642 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 -14.518 -1.572 -5.163 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 2.589 7.129 2.429 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 -0.151 7.647 -7.580 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 -3.983 10.859 0.487 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 -5.367 -2.114 -0.735 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 1.717 -3.246 -28.628 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 -30.755 16.424 -2.068 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 -1.046 0.116 -0.227 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 2.793 -6.318 -6.149 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 9.689 -5.771 6.781 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 -0.660 0.447 0.065 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 1.095 -15.989 -0.213 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 -13.450 12.645 14.244 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 6.271 0.606 12.338 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 -0.497 -1.746 6.627 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 -13.326 -1.947 -6.746 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 1.828 4.452 -4.153 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 -2.374 24.539 -17.347 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 3.338 7.281 -5.369 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 6.678 -2.822 8.651 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 2.556 -8.855 -2.096 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 10.457 0.943 16.092 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 5.243 0.854 -3.330 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 4.380 -1.223 -0.479 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 -1.517 19.135 1.325 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 -2.509 2.937 -1.351 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 -8.390 -0.964 6.636 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 -6.953 0.219 2.010 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 5.122 4.177 5.280 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 12.447 -19.239 -20.244 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 3.529 8.786 8.457 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 1.031 -1.208 0.810 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 6.542 -6.666 27.058 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 0.238 -10.977 -2.378 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 -0.389 0.091 0.010 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 -5.367 -6.825 -14.218 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 3.710 -2.876 -4.350 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 -0.448 2.605 2.469 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 5.116 -7.989 -3.244 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 11.761 -5.787 6.767 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 -4.285 -2.449 -3.572 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 -6.558 -9.600 2.471 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 0.236 5.002 -3.579 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 -1.838 2.257 -4.867 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 21.563 -15.037 -7.177 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 -4.889 20.434 -2.691 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 -5.636 -2.641 2.385 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 21.019 8.352 20.848 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 -0.371 9.243 -9.434 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 -1.226 2.148 -6.407 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 1.473 -8.563 3.042 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 -0.372 8.536 -0.358 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 3.363 -0.793 1.340 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 -17.004 -6.708 -12.670 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 -3.372 2.869 10.114 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 5.849 0.227 -4.218 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 -0.244 6.479 -11.446 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 -9.596 3.587 -5.429 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 1.803 -6.896 -3.149 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 -13.614 -8.452 9.240 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 -5.698 11.893 3.527 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 7.776 -1.279 3.512 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 -14.431 -10.661 8.826 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 7.175 18.051 1.439 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 -1.394 8.207 -0.862 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 -16.096 -32.549 -15.404 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 -3.213 6.995 -1.027 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 -3.727 -3.701 -1.903 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 -6.790 14.673 3.670 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 -7.853 -7.514 -2.190 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 -1.776 2.393 12.001 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 -4.626 0.743 16.321 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 -1.203 3.186 11.215 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 2.251 0.433 1.063 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 17.456 -1.210 -9.237 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 0.706 14.391 2.236 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 -0.076 -1.212 3.800 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 15.298 -21.075 8.655 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 -10.195 15.195 -10.972 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 7.245 -3.148 -8.606 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 -18.869 14.892 -9.485 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 28.559 -11.331 -4.791 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 -2.511 5.499 -1.594 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 7.074 9.196 -1.407 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 1.480 -0.782 -19.370 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 -2.662 -2.702 1.575 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 -4.890 1.926 -5.598 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 10.443 10.593 7.830 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 3.528 -4.624 0.136 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 -6.113 -12.925 -11.858 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 9.187 0.395 -2.568 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 -3.169 -0.378 -0.849 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 -27.425 -28.080 -11.524 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 -7.858 26.352 -25.816 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 2.624 1.403 -1.349 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 2.595 1.057 -0.568 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 -4.348 4.499 -4.396 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 -4.927 0.020 -0.007 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 -21.514 -6.331 -9.630 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 3.621 -8.078 -1.087 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 -1.938 6.416 -0.485 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 -10.008 6.640 -11.384 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 -26.717 37.000 -38.921 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 4.110 -0.725 -5.415 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 -7.525 11.631 -6.686 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 10.109 7.155 -5.338 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 -1.910 6.220 0.298 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 4.758 2.063 -17.920 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 -18.870 15.821 1.527 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 6.312 -0.944 5.794 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 1.924 -1.757 -6.263 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 -31.241 13.684 13.334 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 -2.526 -7.650 -0.762 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 0.386 -6.272 -2.387 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 -4.381 -0.806 -2.563 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 2.037 0.723 -5.357 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 14.109 -2.586 -18.040 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 11.185 3.025 -16.706 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 -0.948 1.469 2.218 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 -9.839 19.731 -27.594 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 -5.565 3.700 -12.643 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 -0.219 -4.220 8.736 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 0.452 -11.927 13.845 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 -6.302 -15.721 8.296 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 3.044 0.395 0.701 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 8.560 -6.003 6.332 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 -4.498 0.534 5.105 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 -2.835 4.900 -0.235 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 5.869 -3.294 6.693 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 -10.717 2.626 9.316 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 -2.160 5.334 5.667 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 27.165 9.977 10.157 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 -27.044 -1.962 10.808 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 4.779 1.950 -5.220 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 -7.223 -3.131 9.823 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 5.991 5.771 -1.381 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 3.695 0.933 -0.440 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 43.377 -4.909 2.486 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 -0.855 2.858 -2.485 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 5.045 -3.408 -7.135 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 17.658 36.152 -1.294 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 -15.926 -14.021 6.909 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 1.269 0.149 4.488 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 11.450 -4.665 15.037 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 3.991 -7.459 -6.290 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 3.574 -0.868 -2.437 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 -16.323 1.001 -15.100 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 -12.045 -5.792 -0.359 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 -0.286 -1.199 -0.018 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 10.388 2.698 -17.861 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 8.042 0.480 -0.161 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 -1.681 3.881 0.747 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 -4.598 10.095 -7.085 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 -2.575 -0.955 13.776 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 -1.765 -1.196 -5.722 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 -3.148 -19.792 -16.587 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 -8.818 27.602 17.532 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 -2.570 -3.830 0.757 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 23.945 14.053 3.401 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 10.576 7.114 11.456 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 0.043 -6.647 1.960 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 -4.992 13.024 13.804 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 7.314 -5.029 6.963 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 2.174 -0.626 3.260 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 -1.788 -5.120 -5.995 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 -1.473 -4.589 -5.438 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 -6.660 3.146 -0.008 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 -20.829 -14.677 4.686 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 -9.032 13.673 -20.213 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 -2.463 -2.547 3.880 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 17.359 5.752 -13.857 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 1.145 6.587 -6.522 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 4.352 -2.258 -0.214 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 -14.056 -13.359 -10.006 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 7.972 3.834 -5.393 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 -8.473 3.526 -0.740 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 -15.441 -5.141 -9.571 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 1.000 1.201 -13.831 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 6.401 5.530 0.958 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 8.802 10.576 -0.916 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 2.613 5.891 -0.742 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 1.186 7.395 5.032 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 -7.759 4.952 3.269 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 -21.364 -19.352 3.915 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 0.845 2.119 5.627 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 14.648 18.553 -0.064 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 -5.221 0.669 8.488 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 4.138 4.696 4.676 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 7.495 -3.920 -5.223 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 4.437 10.564 5.282 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 -2.303 1.733 -1.102 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 3.483 25.439 -28.582 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 10.309 5.579 1.330 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 -0.766 6.787 1.043 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 -11.187 -2.290 -11.977 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 7.601 0.200 3.733 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 0.478 -0.201 4.446 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 -5.862 -3.539 -7.271 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 40.038 -19.651 -10.381 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 -1.671 5.168 1.459 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 0.391 6.396 1.757 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 16.601 -7.356 2.485 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 -2.154 8.818 3.427 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 -10.000 13.574 8.092 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 5.682 13.496 -8.334 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 1.718 1.181 -4.281 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 -16.503 -20.210 4.378 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 5.051 5.284 -25.365 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 -3.718 1.032 -1.656 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 -17.231 -0.578 -3.348 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 -11.757 7.592 0.748 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 -0.478 -5.748 -2.357 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 11.841 1.139 8.072 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 2.574 -15.676 0.578 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 5.217 0.429 -2.924 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 16.755 3.875 -4.974 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 -28.289 -9.449 0.204 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 0.512 4.206 4.952 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 0.979 -0.130 -17.743 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 -0.611 2.050 -8.617 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 -2.480 -0.397 3.209 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 -6.030 -17.460 25.667 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 -2.483 -15.753 -18.250 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 -2.397 -3.436 3.961 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 -2.884 -3.174 6.745 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 -3.453 -3.844 12.545 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 1.662 1.682 0.649 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 -10.442 -12.977 9.665 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 16.737 6.534 -7.682 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 5.266 -3.926 -2.393 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 8.570 4.335 -7.434 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 -1.111 -3.724 5.229 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 2.621 0.264 -6.648 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 21.697 3.076 -8.621 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 14.508 0.937 15.277 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 -5.207 6.106 2.530 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 13.706 3.789 -31.337 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 -2.655 -5.010 -25.036 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 0.935 2.984 2.236 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 19.390 6.759 -2.724 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 7.426 11.555 12.472 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 -0.184 -7.738 -2.565 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 2.678 -6.461 -10.294 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 -18.707 -8.672 8.877 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 -3.961 2.601 -2.401 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 13.238 5.986 19.578 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 -11.333 0.804 -2.248 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 -2.880 -4.597 -4.461 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 -5.577 -5.539 -8.833 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 4.899 -6.746 15.306 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 -0.914 -0.033 1.920 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 1.595 -3.359 25.640 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 23.407 -22.798 15.856 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 2.197 -7.789 -1.331 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 -0.302 11.287 -16.139 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 4.954 10.678 -21.481 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 -0.734 1.316 0.500 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 10.245 -5.524 -12.429 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 7.245 -0.943 -5.182 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 -2.038 7.155 -5.843 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 7.169 18.193 11.195 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 8.778 26.062 -18.609 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 -2.595 -4.600 1.035 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 -16.994 9.803 13.338 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 -14.211 9.928 8.812 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 -2.616 1.509 -2.287 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 10.787 3.792 -16.062 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 2.397 -14.021 5.470 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 0.271 1.632 -3.054 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 -2.923 4.357 3.798 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 -6.751 6.084 8.330 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 3.022 1.282 -3.113 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 10.186 -5.196 -3.148 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 10.113 -5.523 -3.281 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 0.883 0.673 1.989 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 -1.391 -16.902 0.446 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 2.338 2.526 1.290 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 -1.343 2.169 2.749 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 4.402 9.782 -1.999 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 4.126 12.220 -9.803 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 1.216 3.514 1.376 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 -3.919 19.855 7.269 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 11.177 23.701 -10.135 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 -6.658 2.551 -3.116 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 22.719 -0.347 -21.295 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 13.298 -2.064 -23.771 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 -4.532 -4.545 6.248 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 -0.437 -4.845 9.964 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 14.543 -4.334 18.753 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 -7.824 -6.124 -0.313 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 2.172 -13.689 -0.712 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 -6.583 -0.033 -12.630 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 -0.089 -1.131 1.195 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 16.821 15.583 20.364 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 0.809 -0.634 0.605 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 -0.937 2.924 -0.978 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 2.165 -13.016 -7.709 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 -4.906 13.397 3.828 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 2.220 0.588 0.639 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 2.206 3.313 2.175 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 2.247 -0.504 2.943 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 1.470 1.504 6.719 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 0.808 9.417 -10.432 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 8.514 1.828 -6.771 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 -5.046 0.774 4.871 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 -1.717 -0.110 -13.076 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 19.913 -7.855 9.341 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 -4.273 -9.196 -1.583 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 -2.448 -19.303 12.387 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 -10.507 -7.093 8.288 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 -2.210 2.114 0.756 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 -20.216 -9.633 12.882 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 -17.125 -25.387 -20.214 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 3.400 -1.668 -2.718 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 -1.583 -15.259 -11.146 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 20.610 5.379 13.502 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 4.191 -1.126 -8.614 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 0.570 3.731 8.133 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 3.406 3.975 19.471 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 -3.122 -6.910 -0.160 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 18.501 -9.759 30.007 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 -21.164 13.605 -24.278 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 2.475 3.893 -0.767 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 11.089 -6.455 8.168 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 10.573 -1.474 -2.788 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 3.529 3.536 1.614 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 11.915 18.561 4.272 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 8.741 -4.580 -11.891 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 -2.924 -3.322 7.593 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 8.173 0.843 21.555 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 -0.447 -11.147 -1.971 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 2.459 -0.370 3.116 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 -5.952 -11.602 4.078 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 9.363 11.917 1.473 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 4.785 -5.840 0.763 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 6.941 -6.216 -8.130 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 8.579 -1.370 7.474 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 7.399 1.047 2.911 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 8.654 2.988 -3.729 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 4.995 -2.846 9.448 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 -1.907 -8.603 -3.621 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 -17.937 -3.562 -5.628 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 -0.310 10.456 3.147 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 7.225 -11.000 -2.088 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 8.106 -9.292 1.436 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 2.660 -6.359 4.023 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 -4.390 -3.845 -1.522 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 -14.334 -7.358 -3.873 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 -22.562 14.479 9.701 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 3.327 -1.914 0.162 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 7.540 0.942 -4.130 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 7.174 -2.746 -2.497 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 -2.106 0.124 -2.237 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 -8.261 -3.122 -1.447 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 9.163 4.030 -6.027 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 2.230 4.054 -0.206 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 7.352 -4.971 -6.019 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 4.549 20.261 -9.974 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 2.015 1.543 3.962 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 -9.792 11.505 7.318 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 17.500 -1.547 -5.083 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 0.538 7.685 -3.352 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 2.965 0.802 7.613 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 1.108 5.379 -0.625 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 1.212 5.235 3.232 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 5.107 -0.304 -1.460 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 -12.013 -7.231 -9.223 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 0.398 -3.346 -5.259 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 12.725 6.706 -0.561 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 1.843 19.707 -13.235 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 -4.065 4.145 -2.555 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 -30.430 -5.528 -20.377 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 -7.150 -4.045 -2.261 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 4.155 -6.028 -5.059 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 9.937 -1.440 -6.498 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 7.362 4.095 0.331 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 -2.496 1.557 -6.154 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 -0.771 3.272 -10.768 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 8.691 10.586 -18.793 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 -2.689 3.085 -4.610 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 -3.847 -7.139 -3.909 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 -5.641 -33.395 7.263 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 -2.584 4.958 4.722 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 13.075 4.046 6.350 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 1.602 32.712 5.523 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 0.890 -5.816 0.351 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 -2.585 1.980 -6.525 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 0.241 -5.946 0.154 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 1.129 1.447 4.362 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 14.097 -9.107 4.942 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 11.252 -4.032 5.877 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 -1.400 -0.719 -5.417 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 3.383 -16.530 26.332 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 10.981 8.723 6.121 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 2.082 -3.947 -0.358 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 4.243 -5.496 -6.223 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 5.782 -6.265 -2.949 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 3.087 0.007 -0.663 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 7.488 -0.296 3.007 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 -17.714 -11.028 7.793 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 -1.831 -2.714 4.603 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 -4.177 8.517 -0.633 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 -1.486 -8.337 16.225 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 4.039 -9.484 -6.448 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 -5.846 -16.190 -1.511 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 9.896 -3.781 -0.809 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 -2.645 -2.869 0.304 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 -14.455 -9.787 -18.022 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 9.082 -13.772 3.051 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 -3.690 -5.662 1.409 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 -19.868 13.196 2.535 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 3.297 -13.744 0.243 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 1.553 4.740 -0.001 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 -22.488 18.421 -8.329 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 0.746 -0.363 2.598 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 2.121 -6.533 2.251 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 34.211 7.631 30.201 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 14.653 -7.390 15.053 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 -2.781 -0.638 -4.042 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 -8.158 -3.813 12.204 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 -7.266 -1.775 -13.079 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 9.895 0.172 1.188 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 21.245 8.450 10.415 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 -1.194 -17.754 17.436 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 8.957 -3.529 -0.188 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 17.319 -15.163 17.920 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 -33.431 -25.569 -32.243 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 -1.072 0.285 2.347 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 12.121 6.952 8.146 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 -5.050 -0.918 14.766 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 4.364 -2.290 1.148 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 5.558 4.903 -4.346 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 -7.964 7.973 -8.473 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 2.717 3.084 -6.610 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 -18.308 -0.792 1.486 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 -0.010 0.725 8.149 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 -1.451 -1.247 -0.779 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 5.642 -13.202 -14.095 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 20.355 -7.102 21.980 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 11.102 -4.364 4.743 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 0.136 4.309 -25.982 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 -14.607 1.910 -8.001 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 -0.762 5.619 1.253 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 -9.677 9.131 -2.122 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 -5.295 25.758 -8.379 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 2.110 0.445 -1.703 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 -17.826 -2.411 2.949 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 -4.097 4.887 -0.498 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 7.448 3.467 -4.893 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 3.032 -20.982 -35.049 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 3.565 -8.125 -16.369 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 -5.096 -1.668 4.060 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 -16.427 -34.247 -13.257 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 13.507 11.287 -10.475 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 7.989 8.887 -2.688 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 -3.804 12.311 -4.852 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 20.547 18.679 -6.213 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 0.237 1.275 0.634 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 -0.222 -2.947 1.508 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 -7.576 -22.532 1.417 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 2.244 -1.374 -4.474 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 23.517 -0.727 -5.329 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 -4.636 0.699 -20.922 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 -4.721 -4.924 3.939 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 12.080 -3.277 -11.059 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 -0.751 -4.353 11.762 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 -0.266 -0.205 2.704 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 -25.063 21.214 31.014 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 12.250 -5.107 -27.914 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 1.827 6.670 -6.454 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 -0.326 25.152 3.602 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 1.769 -10.263 7.048 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 2.079 2.937 -2.188 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 -13.398 -2.167 13.234 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 13.226 -2.591 -6.708 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 -6.339 -6.382 -3.056 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 -3.640 -2.393 -21.186 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 -6.348 5.314 -27.374 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 0.339 4.243 -0.590 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 -16.547 0.765 5.278 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 -2.497 6.587 -20.393 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 0.961 -4.330 -0.939 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 0.383 -10.769 2.283 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 -15.671 0.194 -13.071 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 3.675 1.792 4.312 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 -13.779 19.220 3.250 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 -11.405 -18.815 5.786 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 2.997 -3.008 4.476 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 -1.110 14.333 1.798 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 -0.693 -2.946 3.581 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 -0.164 0.284 -3.345 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 -28.043 10.770 -32.541 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 -12.304 -11.327 18.178 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 6.397 1.318 1.342 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 12.722 6.761 -12.357 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 -2.233 17.206 -0.312 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 -1.506 -8.890 12.806 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 -10.327 19.722 -9.022 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 -9.550 -19.548 18.763 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 -2.911 1.420 1.782 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 13.114 -14.643 3.350 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 -15.789 -5.408 6.223 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 0.680 1.109 1.895 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 -10.806 11.209 4.263 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 8.462 -1.610 -0.660 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 -4.315 2.027 -3.403 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 -0.115 7.480 -4.050 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 -11.432 -2.554 -6.913 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 1.779 -3.482 -0.291 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 -7.447 3.970 -16.131 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 9.753 -11.235 11.961 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 -2.033 2.703 -3.171 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 24.638 1.567 -1.140 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 -2.418 1.786 8.257 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 9.357 7.129 0.430 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 0.717 5.441 5.639 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 -1.945 9.886 5.570 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 -2.120 5.390 3.589 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 -0.346 -25.374 20.709 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 -5.744 0.135 4.275 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 1.994 2.826 1.403 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 3.037 10.222 2.100 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 -7.086 5.133 6.484 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 5.654 0.329 3.259 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 -3.816 4.473 2.441 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 15.406 -2.042 -6.300 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 4.503 -8.031 3.375 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 3.834 -3.712 5.374 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 3.503 -25.345 -0.782 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 -2.952 -6.086 0.200 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 11.207 -23.713 -9.630 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 -22.630 -4.369 -19.290 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 -5.159 6.321 4.650 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 7.266 10.981 2.383 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 18.846 18.410 2.025 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 -0.709 1.395 0.460 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 9.224 9.767 3.226 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 -6.802 6.704 -10.480 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 3.255 -1.057 2.800 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 -7.899 -10.482 -0.042 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 -1.660 8.811 14.022 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 3.181 0.771 4.342 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 -23.042 -1.845 4.213 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 9.446 1.895 -16.734 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 -0.604 -3.659 -0.946 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 1.891 -5.728 6.188 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 -3.312 -7.240 1.085 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 2.704 4.023 -2.211 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 9.896 -7.037 -7.447 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 18.584 -19.947 -14.198 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 1.524 2.352 1.768 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 16.507 -5.292 12.662 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 0.339 -3.312 -19.137 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 6.312 2.103 3.940 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 7.816 -8.327 -2.865 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 13.909 -2.958 10.523 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 -3.117 -0.489 0.293 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 -6.940 3.608 4.468 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 -0.023 -6.564 -0.459 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 -0.575 0.830 5.920 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 -8.760 7.247 18.525 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 -12.158 3.923 -15.987 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 3.150 -2.202 -2.522 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 22.025 24.724 20.615 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 4.471 -2.077 -1.462 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 -0.909 -0.598 -2.938 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 12.776 5.411 12.886 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 3.462 1.849 18.253 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 0.052 0.085 -3.686 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 -12.778 -25.030 -6.499 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 -2.476 -1.287 13.779 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 2.278 -0.146 -2.651 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 -1.573 -15.698 7.572 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 11.380 -8.932 -26.260 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 -3.841 3.626 -0.822 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 -5.055 -5.601 11.530 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 -3.496 7.207 -5.932 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 -2.457 -2.813 0.429 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 -2.103 6.694 -2.346 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 -12.471 -1.119 8.664 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 -0.456 8.910 -0.116 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 7.825 -0.783 -6.948 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 14.700 -7.214 -25.653 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 -7.019 -7.256 -5.372 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 27.787 -14.278 1.574 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 13.009 -32.715 7.339 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 -4.847 0.044 -0.363 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 8.132 2.526 -16.054 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 -24.295 11.133 -21.456 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 -1.824 -0.297 5.524 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 -11.767 13.650 10.804 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 -7.811 1.572 6.881 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 0.247 9.008 -6.605 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 0.081 -6.351 -13.620 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 -0.953 3.925 14.937 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 2.034 -0.800 -5.386 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 7.385 -23.266 4.461 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 -14.428 10.152 -0.853 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 5.880 0.998 7.850 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 10.558 -0.725 -1.650 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 25.097 2.341 -18.744 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 3.439 1.461 -1.201 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 0.634 -2.835 -17.155 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 14.759 -5.742 5.052 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 1.574 -1.982 1.091 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 10.209 -4.351 -3.459 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 3.363 13.032 6.578 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 4.545 2.241 6.421 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 17.946 -16.410 8.798 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 5.070 18.890 14.320 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 3.478 0.220 1.143 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 -11.793 -8.726 -4.633 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 1.511 -16.165 -0.158 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 5.101 3.639 -1.208 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 4.047 3.590 -0.868 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 5.078 3.350 -1.129 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 -2.289 -3.764 2.163 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 -17.983 11.413 0.340 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 -7.280 -6.158 4.309 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 4.684 0.811 -0.884 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 13.030 9.622 0.198 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 11.170 7.592 0.981 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 -2.652 -5.441 -2.493 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 -13.491 -3.063 -19.811 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 -16.598 -2.108 -17.772 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 1.960 2.710 0.094 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 -2.139 1.661 -16.710 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 17.668 20.976 -3.159 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 -0.800 4.401 1.185 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 -6.789 6.937 8.528 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 -9.360 -3.358 10.124 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 -2.321 -0.002 -2.962 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 -1.690 11.694 1.387 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 -4.933 -5.225 -6.112 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 -1.373 -5.656 4.645 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 21.538 0.047 18.507 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 19.305 -4.395 -5.655 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 -1.926 -7.239 0.053 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 -21.067 -8.744 10.735 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 -36.854 -19.821 0.037 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 7.518 0.274 0.084 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 17.065 -15.441 -3.354 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 4.859 1.636 -8.903 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 -2.259 6.113 0.777 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 -14.010 15.128 -5.878 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 -0.973 6.873 15.651 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 0.585 -3.483 2.120 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 -8.628 -16.204 -0.204 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 -14.667 -8.213 28.859 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 -7.261 3.803 -3.586 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 0.530 -7.677 -9.824 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 -5.450 2.541 -7.412 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 1.492 2.671 3.682 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 -8.915 -8.858 -4.261 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 -2.488 5.218 25.056 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 -4.682 0.755 0.241 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 -15.351 -10.025 8.476 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 2.237 9.928 -16.081 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 -2.045 -2.850 2.399 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 7.203 -4.940 -7.161 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 5.920 8.678 13.207 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 5.159 -5.580 3.227 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 -26.276 -3.564 -8.279 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 0.053 -1.496 9.038 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 -1.010 7.985 3.905 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 -10.652 -8.340 0.583 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 -18.385 -27.373 -1.965 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 7.742 1.320 -1.712 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 18.112 19.420 6.903 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 -1.680 3.597 35.039 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 -0.178 1.773 0.024 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 -9.302 -1.027 -0.085 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 -33.566 -10.696 -1.091 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 -4.274 -0.206 1.449 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 -13.925 -3.337 -22.934 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 4.487 -4.599 -11.617 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 -6.404 6.391 2.699 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 -3.717 12.130 2.910 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 -9.679 -11.491 -2.368 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 -1.882 -0.152 -6.460 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 -7.471 -18.928 13.494 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 2.934 24.874 -16.520 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 -7.905 -0.345 1.625 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 5.457 24.680 12.826 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 -8.315 0.984 6.062 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 6.156 -3.779 2.668 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 4.080 -1.776 7.237 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 11.051 -9.977 -6.178 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 -0.347 -2.234 2.226 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 -18.624 8.138 10.157 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 -5.135 6.491 9.758 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 7.689 0.659 1.221 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 22.828 7.850 4.760 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 10.277 -7.793 -6.675 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 -2.516 4.107 -2.756 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 -2.879 8.884 -5.988 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 -6.421 1.185 -1.702 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 -0.947 -2.780 -5.394 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 -11.744 -0.641 -8.819 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 1.647 20.385 -12.973 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 3.394 -4.228 -5.772 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 13.241 4.663 -12.340 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 -13.036 -7.327 5.285 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 2.813 6.341 -1.308 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 19.797 27.282 -0.229 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 6.891 7.602 -9.233 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 -2.414 0.148 -4.731 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 -7.766 23.672 5.023 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 -15.352 -17.059 2.311 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 -0.491 -6.381 -5.006 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 -10.247 26.342 14.326 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 -37.580 -17.250 -11.496 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 10.133 1.752 1.454 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 6.045 10.374 24.625 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 20.794 8.435 6.696 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 -5.909 -4.951 -1.139 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 -10.199 -10.156 -1.620 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 -27.983 -15.499 -11.346 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 0.224 5.786 -0.335 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 -11.416 2.193 6.573 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 2.053 8.721 -11.607 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 -2.676 2.472 3.163 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 3.156 0.826 2.964 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 -1.630 -1.798 1.617 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 -1.547 -0.433 -6.626 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 -0.020 -19.888 7.941 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 -14.250 0.164 1.654 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 -1.781 -5.183 -4.482 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 7.792 19.613 2.996 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 -26.817 39.176 -3.635 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 -1.548 6.973 0.631 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 -8.624 -22.459 13.002 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 20.559 13.300 17.610 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 -3.533 1.472 2.062 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 -12.247 -7.155 -11.058 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 -1.792 -13.057 21.264 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 2.869 -3.315 -1.108 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 8.764 20.185 -15.864 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 -1.914 -2.077 15.133 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 0.491 4.593 -0.173 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 -3.163 3.812 -0.191 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 -19.327 4.523 14.769 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 4.190 -2.010 2.926 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 -11.649 9.061 -3.077 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 -1.514 -15.531 18.336 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 0.949 5.687 6.070 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 -3.922 3.387 8.608 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 21.729 10.820 0.357 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 5.910 3.750 5.385 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 -25.086 -33.750 -1.405 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 -0.502 -0.602 3.159 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 -1.778 -2.235 -0.226 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 6.594 12.293 -9.860 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 -0.783 -0.291 -1.531 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 6.809 1.233 1.208 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 5.729 1.847 -7.849 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 12.371 -3.236 7.407 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 -0.787 3.992 2.779 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 -8.438 6.286 19.945 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 11.426 12.895 -38.663 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 -1.102 -0.512 2.907 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 -4.181 1.294 0.404 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 4.241 2.429 6.856 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 0.505 -1.596 1.613 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 -10.925 -3.115 11.740 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 -29.950 -16.462 -0.754 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 -9.409 0.754 0.711 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 -5.962 3.822 9.412 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 -5.482 11.764 20.591 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 5.586 1.153 -4.941 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 -19.022 8.944 -7.133 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 -2.930 7.032 23.804 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 -3.374 1.998 0.865 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 -3.732 0.512 1.539 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 -7.655 1.522 4.905 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 1.781 2.379 0.368 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 -5.056 2.714 8.153 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 -0.968 2.758 5.959 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 2.604 -1.360 -2.596 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 2.433 3.180 -9.456 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 5.308 -2.727 -9.935 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 -8.160 0.511 4.419 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 -14.901 18.965 3.931 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 9.153 1.591 -4.710 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 -2.533 2.897 2.927 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 -10.979 -13.163 -7.680 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 -7.678 2.232 14.021 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 -1.766 2.832 -4.627 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 -12.996 17.993 -9.697 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 5.931 21.018 16.893 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 2.411 -2.322 2.683 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 6.777 0.088 -11.375 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 15.332 5.099 0.265 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 1.752 0.339 -1.513 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 3.875 -13.413 -32.433 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 0.339 -2.156 4.014 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 -1.401 6.391 -0.962 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 4.745 1.271 -3.963 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 -6.856 6.215 -0.576 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 0.008 3.102 2.080 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 -0.715 3.974 2.702 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 -0.738 4.508 -1.025 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 1.912 -2.809 -10.147 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 1.601 -21.070 -1.719 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 -0.076 16.891 8.480 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 -0.945 1.970 -4.382 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 -8.448 30.259 -12.810 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 -7.868 21.001 -16.896 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 -2.775 -1.010 -5.681 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 21.475 10.646 -7.563 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 -26.986 -10.508 -8.997 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 -1.343 -1.508 4.008 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 -18.865 11.747 11.915 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 22.359 16.934 -9.592 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 -0.508 0.638 -1.714 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 18.281 1.568 5.257 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 -13.981 0.030 -6.896 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 0.588 -7.766 -1.804 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 0.821 5.887 -0.799 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 9.037 -6.329 -13.066 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 0.729 -8.001 2.614 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 -21.790 -5.738 -20.379 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 12.135 24.329 1.617 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 0.939 -5.079 2.319 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 -3.580 -8.758 0.511 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 12.517 -1.803 14.040 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 -1.192 4.505 -2.847 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 -3.440 1.516 -4.062 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 -5.514 7.719 -5.281 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 -3.273 4.384 3.696 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 -2.875 -2.857 16.250 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 -5.540 -3.945 6.558 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 0.313 0.974 -4.849 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 4.911 6.107 6.923 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 4.785 10.826 -15.951 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 2.414 1.993 1.096 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 -18.074 11.107 -7.528 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 5.127 -1.697 7.088 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 -0.570 2.528 -4.312 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 0.300 11.896 -0.928 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 -9.912 -0.659 -3.012 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 7.187 6.548 2.466 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 9.508 2.760 0.956 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 -19.780 -18.399 -10.864 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 5.263 -3.043 3.778 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 1.935 9.860 -10.667 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 7.741 -20.704 27.992 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 -2.226 1.432 0.069 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 3.291 -4.737 11.479 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 -6.991 -9.211 -7.739 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 -4.518 -2.108 0.114 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 4.177 12.386 5.721 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 -1.680 -2.109 11.538 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 -2.793 -0.238 4.727 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 -1.333 -15.353 0.359 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 26.619 -14.032 -6.020 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 0.945 -3.215 -4.224 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 -1.426 -6.291 1.894 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 -2.449 -4.542 -9.228 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 -1.703 -0.551 0.421 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 4.296 13.366 -28.152 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 -0.083 11.951 14.362 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 1.358 -1.049 -4.602 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 3.947 -9.675 -10.364 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 -6.151 -4.541 -8.926 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 1.219 -1.263 -0.405 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 14.186 -4.473 -2.630 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 -23.383 4.159 3.755 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 -3.624 2.431 2.090 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 -13.138 15.417 -3.879 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 1.281 1.440 4.491 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 1.560 0.683 4.609 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 4.195 -12.263 -6.823 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 -4.519 19.871 24.481 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 -0.519 1.124 -1.744 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 -14.025 -13.099 -7.626 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 -5.414 19.552 -18.244 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 7.478 -5.100 3.289 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 -5.182 18.930 -4.787 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 3.509 3.528 13.674 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 1.806 2.022 -1.343 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 -31.936 19.874 -6.651 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 -10.913 -14.537 -2.140 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 1.474 -2.772 6.685 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 8.797 -1.388 3.589 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 0.698 -0.515 13.413 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 -0.197 3.648 1.710 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 -10.145 0.846 -24.222 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 21.134 -12.418 2.886 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 -4.189 -4.915 5.387 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 -8.618 -15.994 5.914 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 6.425 10.272 6.178 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 1.181 -2.754 1.684 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 22.784 17.824 -10.086 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 -5.851 -16.956 -8.252 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 2.752 1.950 -0.894 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 1.573 1.985 25.685 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 26.923 9.359 -3.557 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 6.151 -5.198 -1.464 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 -2.168 33.367 -20.746 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 -0.004 9.478 20.390 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 -8.621 2.841 -2.196 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 -8.272 -15.205 -6.445 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 -10.031 11.018 14.266 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 3.325 1.012 -0.192 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 4.457 2.327 -0.359 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 -14.581 5.917 4.323 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 6.405 -1.171 6.147 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 7.759 -4.130 20.156 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 -7.410 4.071 5.867 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 7.203 1.986 -0.579 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 27.027 4.515 12.800 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 22.436 16.677 2.130 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 -4.956 3.781 -5.438 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 17.441 0.371 -6.361 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 -17.708 12.124 -12.028 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 2.524 -0.821 3.963 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 15.376 -13.359 10.620 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 -33.718 10.688 19.366 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 -0.231 7.704 -2.109 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 12.878 24.903 -18.138 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 21.775 18.119 3.369 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 -0.871 -5.281 2.875 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 -7.556 -14.068 -28.006 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 8.250 -9.627 4.444 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 1.072 -1.664 -2.266 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 7.001 -7.074 -8.508 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 -1.733 6.125 -12.979 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 -11.433 4.437 8.123 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 -2.882 -4.501 18.911 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 -17.509 14.317 -2.188 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 2.765 2.585 -2.828 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 4.782 14.401 -0.690 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 -22.105 10.783 0.441 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 0.474 1.239 1.788 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 -13.393 10.735 -2.727 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 4.716 -13.160 10.162 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 -7.756 0.416 -3.395 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 11.132 -0.092 8.027 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 -9.633 -17.964 -4.771 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 -2.536 -7.588 -1.876 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 1.015 -11.284 -9.180 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 -5.552 -2.373 -2.065 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 0.668 -2.575 6.200 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 0.021 -3.762 -2.352 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 12.930 -3.499 -12.343 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 5.046 1.438 8.270 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 0.801 14.307 -7.651 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 7.019 -2.806 39.132 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 5.439 -1.052 1.361 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 -9.013 -13.612 -2.845 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 -0.268 -13.070 -1.535 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 -4.550 -3.355 -8.792 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 9.446 25.479 -5.117 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 -16.692 -26.141 -14.355 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 2.794 1.849 2.255 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 -23.643 9.720 -3.391 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 -20.563 6.822 0.526 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 -4.661 5.603 -4.374 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 -6.469 6.028 -1.380 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 14.450 0.909 -7.538 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 -4.975 3.884 1.915 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 -8.049 0.549 1.057 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 -1.947 -17.918 4.496 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 -4.084 3.467 3.129 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 -14.684 7.468 8.852 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 1.085 3.519 18.666 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 5.714 -5.233 3.557 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 17.154 -0.426 3.513 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 0.006 -7.361 6.321 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 -3.921 -1.508 -2.426 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 -6.785 2.958 -16.276 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 -3.295 -3.621 2.271 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 2.498 -7.364 -2.574 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 -4.586 -15.866 3.206 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 18.121 -15.018 8.593 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 -0.801 -3.063 4.525 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 -2.690 -2.281 5.319 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 -7.191 -6.277 0.740 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 -2.347 -5.948 -5.503 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 -1.598 3.513 -0.172 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 -4.447 -19.781 -0.754 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 -2.580 8.300 -3.526 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 -7.013 20.932 -2.661 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 22.990 12.986 7.778 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 0.369 7.481 -8.435 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 -5.675 6.336 -13.905 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 -5.146 4.807 -12.403 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 -0.928 -1.924 1.146 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 -1.013 -4.587 2.127 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 10.369 -18.770 12.153 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 6.493 2.046 7.099 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 4.415 -2.619 -2.144 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 5.483 1.967 1.893 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 -8.698 -4.090 0.607 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 -15.160 0.095 1.938 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 -10.417 -1.845 1.182 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 3.799 0.913 -0.493 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 -17.497 3.857 -2.058 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 4.524 -17.123 13.045 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 -1.200 2.617 4.875 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 -5.793 9.874 19.797 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 -9.606 0.076 1.904 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 -7.495 -0.136 4.633 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 -9.619 -4.722 7.074 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 -10.959 -7.894 -2.507 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 -1.679 6.386 -1.616 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 14.793 5.405 20.902 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 11.375 -2.646 -16.619 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 -1.885 7.421 2.205 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 -9.308 11.751 5.779 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 16.172 1.536 12.994 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 -2.354 1.686 -2.092 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 3.897 8.128 -4.313 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 0.667 22.801 3.121 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 0.853 -0.656 5.846 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 2.163 -11.143 -3.875 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 -3.720 -24.235 -1.937 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 4.516 -3.471 -0.342 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 -16.929 14.098 7.297 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 7.828 -6.463 2.031 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 -7.990 -4.716 4.202 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 -10.781 3.224 21.982 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 10.056 -1.424 -6.951 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 2.392 -0.898 1.200 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 -2.092 -15.532 -7.090 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 8.421 -4.732 17.976 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 3.050 1.656 -2.528 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 0.545 23.545 7.907 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 -1.310 -3.890 -14.358 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 7.852 1.362 5.473 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 1.704 1.673 -11.478 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 -7.497 -21.560 10.684 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 -1.078 2.920 0.418 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 11.357 -13.711 2.929 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 10.779 18.328 10.181 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 -4.144 0.185 -0.513 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 -1.637 -16.236 0.574 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 -3.774 -2.483 5.055 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 0.722 1.389 -0.049 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 -2.011 -0.337 5.565 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 18.191 33.514 1.293 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 -0.674 0.154 0.948 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 9.491 -11.429 10.981 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 -11.898 -10.735 -14.735 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 0.971 -1.542 0.689 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 8.983 2.285 29.014 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 25.598 -2.946 8.206 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 -3.338 5.683 2.701 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 18.588 1.196 -0.101 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 12.824 15.431 -7.990 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 -2.105 4.249 -0.615 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 -8.814 14.392 -0.193 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 10.733 -2.316 -2.454 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 -3.973 4.458 2.094 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 24.288 6.934 -5.379 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 14.957 6.262 -8.710 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 3.269 2.594 -1.195 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 -6.594 23.647 -17.110 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 12.381 -10.209 11.140 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 6.626 -1.117 3.256 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 -0.865 -9.511 -33.341 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 9.368 3.220 12.225 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 -2.064 3.300 4.413 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 2.990 12.206 -20.224 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 -6.977 3.012 -5.445 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 4.050 6.449 -1.369 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 3.937 6.696 0.890 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 34.355 27.313 -3.495 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 2.767 8.785 -5.845 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 5.187 9.946 -1.474 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 3.769 10.929 -6.128 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 1.348 -1.463 0.438 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 3.090 1.576 -1.082 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 -0.555 -3.759 1.726 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 -4.309 -1.345 1.935 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 -1.349 -2.821 -1.803 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 -7.948 6.956 10.912 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 2.613 4.431 -0.841 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 22.352 0.474 -18.379 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 11.677 -5.602 8.455 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 -4.552 -0.522 3.775 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 2.815 4.868 -8.797 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 2.534 -10.219 17.459 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 -4.928 -4.216 1.656 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 -6.469 -1.028 -5.423 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 -2.566 10.853 -3.968 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 -0.838 6.307 -4.500 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 -12.269 9.519 9.297 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 8.850 18.795 0.359 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 0.112 2.428 -8.700 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 -12.490 8.578 -13.854 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 0.395 -2.905 -1.335 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 -2.850 7.911 -3.865 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 25.922 16.410 -24.159 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 -1.504 3.397 11.102 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 -1.596 4.435 1.912 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 -0.218 -15.074 19.450 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 8.563 6.787 -9.968 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 2.538 1.376 0.512 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 4.762 8.651 -12.303 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 3.008 -1.005 4.064 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 -1.296 -5.060 3.499 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 -29.790 -11.108 0.584 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 -11.391 1.051 18.746 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 9.173 3.246 0.521 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 13.534 3.322 2.051 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 8.854 2.422 -3.818 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 1.948 -1.563 -6.044 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 0.160 10.633 -13.796 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 0.414 -7.541 -17.004 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 1.953 2.824 -4.514 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 11.082 15.549 3.189 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 15.663 -7.770 -30.271 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 2.154 -1.408 -3.070 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 -1.876 -2.200 -16.137 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 -1.323 6.909 5.131 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 7.751 1.892 0.130 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 10.402 5.863 -1.663 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 18.985 17.334 -7.148 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 0.043 1.075 5.302 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 16.813 9.258 20.311 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 -26.253 5.363 3.054 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 4.712 -1.818 -6.020 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 -10.593 -2.861 -22.705 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 5.747 -0.436 -5.383 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 -0.217 -0.129 1.613 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 11.056 2.151 -3.694 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 -3.663 -2.379 7.066 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 -3.771 1.375 4.592 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 3.923 13.435 -7.846 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 -4.911 -1.437 10.644 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 -4.967 0.065 4.102 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 -15.393 15.728 12.536 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 -21.193 -25.418 -1.304 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 0.771 1.347 -5.019 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 -0.533 4.667 21.184 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 10.123 -10.414 -8.676 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 1.715 3.758 -7.351 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 10.013 6.076 -0.296 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 -5.897 6.171 -1.602 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 -3.563 7.057 -2.957 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 2.077 -5.359 3.766 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 -5.844 15.525 -1.878 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 -4.313 4.627 2.227 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 8.501 -6.761 8.337 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 -15.300 5.260 -9.893 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 6.118 -0.516 -2.376 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 0.627 0.976 -9.470 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 -1.819 -2.154 -15.519 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 -0.970 -1.161 -4.611 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 -16.946 8.095 -7.714 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 3.086 1.155 -9.195 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 -5.826 -0.573 9.068 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 -10.410 15.728 2.507 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 4.787 -7.817 -4.932 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 -0.353 2.146 -0.026 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 17.855 11.636 10.074 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 -0.470 -17.091 -8.303 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 -2.079 3.091 -0.283 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 10.247 -14.726 9.876 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 -7.528 8.974 6.130 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 -1.830 -7.708 -0.087 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 2.132 -8.686 -18.543 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 -12.948 -23.849 2.314 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 3.295 3.682 2.157 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 13.498 22.585 -21.143 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 2.816 -9.199 -1.184 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 4.406 -1.340 0.201 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 5.427 19.970 -18.906 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 11.445 -4.776 5.051 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 -1.560 -0.363 1.332 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 4.778 -10.721 6.613 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 -11.967 6.028 1.932 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 -0.868 2.794 -4.521 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 -0.729 -7.213 17.692 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 5.304 -10.225 -22.582 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 0.735 1.002 -1.164 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 7.412 9.466 8.681 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 -4.943 -18.954 8.991 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 4.054 -2.847 3.502 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 4.312 20.489 -7.665 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 6.818 2.982 -13.174 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 -1.293 -1.050 1.166 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 13.620 0.174 3.686 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 -7.630 6.582 12.020 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 -3.638 3.495 4.613 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 -2.671 3.273 4.150 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 22.364 14.553 -4.851 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 -1.178 1.877 2.656 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 2.687 20.594 12.252 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 -12.756 7.225 0.832 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 4.943 2.650 2.474 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 -5.124 0.447 8.252 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 8.940 13.517 -3.940 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 -0.528 7.955 -3.374 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 -7.079 3.726 -3.289 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 -4.436 12.555 -4.247 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 0.509 2.577 -6.105 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 12.589 3.139 -4.845 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 -3.481 1.911 8.063 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 0.544 -2.426 -1.404 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 12.092 20.985 0.473 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 -2.123 -18.984 -7.147 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 8.767 4.920 1.208 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 6.788 2.197 -12.881 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 -5.926 16.450 23.753 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 3.941 -1.300 -6.459 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 -2.683 -3.099 -13.153 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 3.805 -7.203 1.283 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 3.037 0.881 5.228 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 -3.342 2.637 4.691 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 3.416 -0.615 3.337 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 -7.660 -0.737 -0.859 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 3.765 -8.110 13.340 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 -10.941 -15.037 -3.369 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 4.340 -0.287 -1.545 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 -2.424 2.594 -7.594 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 0.951 1.149 -4.887 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 -0.435 1.679 -0.784 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 -18.303 -0.538 0.053 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 -3.389 13.515 40.691 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 1.886 4.941 2.205 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 9.899 1.611 4.381 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 -10.186 5.893 3.029 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 -0.821 0.671 0.718 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 -2.628 5.695 -11.501 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 -29.563 -7.368 14.117 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 -4.991 7.606 0.495 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 2.597 -10.374 12.788 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 1.034 11.071 5.919 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 2.987 -4.467 0.302 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 4.548 -5.713 -2.806 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 -0.368 -10.708 1.267 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 -5.444 -0.484 -4.932 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 -4.291 -0.714 -9.285 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 2.648 3.427 -14.019 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 0.995 2.840 -3.072 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 5.616 23.193 -10.177 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 24.488 -12.248 2.479 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 2.901 -0.752 -0.500 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 13.089 17.366 -4.347 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 0.753 -13.959 0.523 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 -5.250 -2.970 -0.860 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 -9.720 -17.120 -7.272 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 10.750 -6.261 -0.727 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 -1.560 -0.448 -3.786 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 -3.416 1.865 0.564 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 24.732 17.366 -7.343 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 1.267 0.573 2.354 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 -0.316 2.691 3.237 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 -4.878 4.012 -10.329 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 4.969 4.996 -1.453 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 15.208 2.337 -3.415 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 -17.729 4.996 2.640 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 1.313 -0.725 -1.010 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 -10.088 1.632 18.107 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 3.244 8.084 -22.752 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 5.409 3.305 -9.465 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 0.382 11.215 -9.965 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 -2.920 14.559 -7.270 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 -1.854 0.796 -2.405 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 -27.709 -9.030 3.547 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 14.941 -5.572 7.764 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 -2.781 2.079 1.889 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 9.852 1.220 15.858 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 -7.847 6.504 -3.236 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 3.957 0.158 2.464 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 0.087 0.194 -6.031 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 4.182 4.739 9.293 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 -0.952 0.969 -0.467 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 10.912 5.106 21.065 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 17.324 -10.943 6.203 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 -2.694 -1.468 -0.122 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 -0.931 -8.191 5.519 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 -4.021 -5.343 -7.925 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 -3.253 0.273 2.771 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 10.706 5.834 -8.575 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 -11.417 -2.475 15.571 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 -2.675 -0.801 5.806 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 -4.956 7.420 -20.819 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 24.613 24.995 -2.419 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 -2.531 5.097 7.208 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 -13.091 -14.392 6.801 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 11.222 5.089 24.811 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 -2.728 -1.014 -2.563 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 -0.601 -4.698 4.350 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 -0.317 4.107 -1.550 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 2.608 3.493 1.169 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 -13.515 9.821 7.191 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 -18.594 -0.018 -13.674 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 3.343 -8.579 -0.670 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 2.158 0.934 3.852 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 13.369 13.961 0.793 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 3.669 -5.949 -2.618 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 3.184 -1.150 -0.954 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 8.102 9.790 -14.903 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 1.447 1.194 4.098 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 -7.302 1.034 12.173 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 10.454 5.788 8.895 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 -5.363 -2.963 -0.371 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 -10.632 -13.684 0.528 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 -5.643 10.517 5.802 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 4.889 0.857 -4.301 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 11.684 -16.193 0.484 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 5.647 -0.167 -8.460 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 -2.076 -5.467 -0.260 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 -12.841 -13.778 -9.155 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 9.121 -9.098 -3.680 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 4.924 -1.054 1.491 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 3.656 -4.628 -4.205 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 7.090 8.502 -0.307 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 -5.959 -1.168 -8.282 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 -20.248 3.277 -34.143 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 -10.738 25.080 8.181 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 -0.049 3.870 4.788 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 29.708 -20.924 -3.508 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 -10.622 17.120 5.578 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 1.035 -0.467 -3.888 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 11.799 -6.396 6.858 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 2.876 19.525 1.953 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 2.077 -3.634 -4.880 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 1.064 -6.388 -6.542 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 5.451 2.527 -8.890 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 -3.626 -6.229 -5.184 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 18.740 3.083 -18.595 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 -3.812 -15.296 -1.672 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 -2.929 -0.897 -0.794 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 -0.349 -4.187 -0.926 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 -11.015 -1.319 5.676 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 3.080 -4.170 -3.012 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 2.337 14.421 -8.066 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 -4.601 19.597 -5.172 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 0.095 1.105 -7.154 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 7.288 0.179 -6.809 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 -8.697 -1.827 0.756 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 0.394 2.900 3.169 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 0.202 10.599 -3.435 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 -4.114 -1.845 -8.877 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 -6.428 5.661 -0.065 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 4.589 0.067 -11.318 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 4.077 8.582 19.261 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 4.403 -5.155 -3.058 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 3.402 3.924 11.266 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 9.230 -7.707 -6.937 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 -7.526 6.166 5.323 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 -13.062 -0.463 4.714 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 -11.340 2.851 4.083 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 3.157 1.694 -1.598 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 -0.468 -1.281 1.504 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 3.759 -10.632 -2.001 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 -1.312 -6.324 2.883 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 -3.903 0.622 -5.719 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 0.361 -7.186 5.155 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 -0.760 -0.933 6.393 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 7.135 1.080 7.302 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 0.171 8.665 -15.604 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 -1.416 -1.031 0.271 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 -17.553 7.175 1.194 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 19.045 -15.131 15.312 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 1.473 -7.177 -6.122 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 16.399 -10.617 -12.067 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 -4.878 5.144 -6.390 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 -3.806 2.009 -7.137 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 11.414 -7.634 -7.417 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 3.740 -2.644 -7.118 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 -0.939 -4.243 -1.725 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 -9.625 0.791 11.332 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 -3.410 -2.160 2.015 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 1.792 -2.922 2.426 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 -2.197 0.221 3.853 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 -12.395 -1.728 8.891 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 4.286 3.334 -7.593 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 -1.166 -13.267 -7.158 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 -2.856 -8.005 -4.386 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 0.159 -10.664 -0.084 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 4.872 -11.206 0.901 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 3.428 11.580 -6.619 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 1.417 2.902 0.535 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 6.392 6.249 -16.885 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 2.073 -0.540 -1.782 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 -0.212 -2.412 -1.277 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 21.423 1.240 -3.636 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 3.503 -8.312 12.275 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 -2.017 0.911 -1.157 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 -1.023 7.616 -19.722 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 18.076 1.764 -12.925 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 -0.584 2.343 2.533 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 -0.480 -1.000 1.730 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 -1.688 12.225 3.270 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 -2.243 2.618 0.640 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 -12.718 11.043 -22.048 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 0.876 6.996 -13.940 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 3.385 1.841 -0.019 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 5.842 11.118 6.889 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 14.972 4.216 -13.079 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 0.675 -0.676 0.554 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 -22.173 -8.464 5.034 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 -1.007 -5.219 -3.808 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 1.645 -3.468 -7.622 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 -9.289 1.453 -1.535 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 -11.255 -1.335 -5.701 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 -3.897 6.307 8.506 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 -0.981 2.683 13.857 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 -8.803 11.991 0.285 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 1.395 4.555 -4.258 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 -0.127 -10.914 -6.182 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 13.435 -1.362 -17.812 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 1.210 2.689 -4.547 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 9.107 29.062 4.521 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 -28.557 5.956 -9.224 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 -9.774 2.799 -5.444 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 -1.892 -10.648 -28.885 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 -16.690 14.296 20.343 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 -6.488 2.639 -3.115 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 4.383 17.641 -10.108 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 16.608 22.684 -13.356 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 -0.594 2.523 -1.027 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 -8.139 9.224 -3.852 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 -6.825 -15.523 -3.147 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 1.228 -0.612 -5.690 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 -2.726 -6.996 -14.600 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 6.654 4.629 -14.529 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 -5.080 4.343 3.141 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 -20.273 5.013 -3.317 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 8.408 6.583 -8.639 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 -6.624 3.063 -2.668 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 -4.125 7.524 8.807 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 -5.452 -8.017 -6.459 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 -0.912 2.159 -5.974 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 3.735 9.366 -14.799 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 -13.940 -25.306 5.935 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 1.264 3.035 -3.345 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 0.469 -1.140 1.650 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 31.299 -10.412 18.225 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 1.496 2.638 -4.137 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 -19.500 1.724 10.717 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 3.365 2.288 -5.019 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 3.247 1.764 -2.995 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 6.952 -18.938 4.850 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 -13.562 23.699 -17.529 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 -0.589 -3.969 -1.907 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 -2.077 0.559 2.908 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 -11.239 -8.142 -4.023 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 3.335 -4.080 5.159 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 -16.026 16.345 -5.295 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 5.897 10.884 28.284 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 -1.999 -3.588 -5.844 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 -7.641 -12.850 -4.584 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 -17.307 -0.374 -15.866 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 -0.244 -5.050 -7.619 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 3.891 -3.345 -6.271 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 -4.603 -34.301 21.675 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 -3.994 -4.131 0.165 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 -10.505 -3.469 8.159 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 0.403 7.967 -0.537 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 -5.171 4.461 -8.479 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 2.787 6.058 17.256 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 0.040 -18.375 -15.426 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 -1.717 4.630 7.289 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 15.960 -0.055 -3.127 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 11.190 11.074 13.282 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 -7.370 7.807 5.796 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 20.198 12.636 9.530 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 -12.219 2.580 -13.425 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 3.918 2.595 3.780 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 -0.889 -1.475 7.751 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 7.651 2.858 -2.250 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 0.165 2.086 -1.411 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 -6.862 9.446 14.382 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 12.554 10.848 -4.177 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 -3.017 -3.851 -6.533 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 4.280 3.741 -13.878 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 -5.040 -13.679 -9.457 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 -9.845 -2.598 2.569 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 3.232 -7.379 4.971 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 -26.178 -18.051 2.041 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 -5.632 -2.292 -0.832 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 0.248 -12.282 -4.160 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 3.805 -4.755 -0.230 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 -0.927 -0.879 -3.358 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 1.416 0.878 -5.996 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 -5.699 -6.087 1.099 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 -1.332 -2.181 -2.044 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 9.069 -1.010 0.444 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 5.899 3.531 0.037 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 -1.458 3.867 -3.786 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 -4.816 1.553 -1.606 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 6.174 8.923 -8.509 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 -1.846 3.383 5.156 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 -8.398 -4.054 -12.386 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 26.634 24.980 7.579 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 1.608 0.487 2.937 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 15.457 12.274 6.008 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 -19.664 -12.138 -1.390 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 -1.615 -4.328 -2.895 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 3.496 1.255 0.231 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 2.314 -12.480 -7.407 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 -0.349 1.276 6.539 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 6.915 5.253 9.778 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 -8.922 4.594 7.537 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 -1.925 1.397 4.651 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 -16.988 12.463 -2.435 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 -17.532 3.556 -4.551 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 -2.264 -2.088 6.613 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 6.391 -2.593 8.724 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 -21.712 -6.270 3.484 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 3.474 3.555 2.048 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 -3.119 -5.893 -3.907 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 -0.014 -4.983 12.173 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 0.638 4.644 1.423 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 13.111 -11.152 8.518 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 -15.319 0.572 -17.170 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 -1.495 4.691 -0.887 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 10.829 8.316 -12.459 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 5.940 14.387 -16.126 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 -6.141 -0.488 -7.886 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 -5.542 -1.387 -14.663 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 -2.661 0.500 8.524 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 2.837 5.994 -3.535 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 14.162 -1.264 -7.925 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 8.520 8.105 -3.694 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 5.149 -0.429 1.430 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 19.378 6.748 2.825 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 31.509 -26.486 -11.508 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 -3.469 0.219 -1.376 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 -6.447 -9.413 5.525 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 11.389 -2.105 20.681 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 0.565 0.494 -5.445 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 -15.406 38.426 13.742 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 -3.637 2.927 -5.050 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 -7.596 2.265 -3.912 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 -8.957 -0.728 -13.455 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 -7.871 10.379 5.392 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 -0.678 5.254 3.209 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 21.463 -1.165 15.413 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 -6.017 -4.768 -4.403 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 3.742 -2.100 -0.848 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 8.895 -9.747 -5.012 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 -11.850 3.064 10.796 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 -4.529 -3.868 -3.193 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 -7.191 10.833 -5.259 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 -14.136 -12.829 -10.753 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 -0.438 -3.685 0.639 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 3.894 -17.948 -9.641 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 -10.883 -4.363 0.272 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 -1.095 -1.098 -1.726 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 6.300 -0.831 -12.056 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 12.078 11.033 11.378 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 8.230 1.891 0.479 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 -5.013 12.758 -18.685 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 -0.577 3.298 17.977 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 -4.035 2.694 -5.207 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 -5.456 9.184 -1.470 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 2.877 7.460 -5.242 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 -1.401 -2.152 3.437 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 16.516 1.800 -13.164 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 -1.411 -6.019 5.610 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 -2.019 0.919 -6.069 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 -4.547 1.164 10.425 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 25.367 -6.173 -5.202 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 2.969 -3.352 5.068 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 -4.055 -22.040 2.649 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 -0.924 -14.522 4.190 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 -1.529 4.191 -1.402 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 -6.749 1.697 -2.299 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 -20.589 -5.729 -5.756 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 3.309 1.143 2.251 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 -3.387 16.343 0.968 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 -18.087 -20.432 6.154 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 1.091 -1.501 0.186 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 5.874 -3.428 -4.821 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 7.954 -3.842 -3.994 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 -2.738 -1.076 -5.880 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 -9.042 -4.707 -4.334 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 8.473 3.111 -8.063 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 3.711 -1.002 5.850 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 15.387 21.195 -16.157 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 -16.781 -6.043 1.435 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 4.022 -0.705 -4.666 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 -2.624 -12.213 -4.019 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 11.467 -2.280 -3.262 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 -1.685 2.917 -2.689 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 -3.642 -11.559 -10.364 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 -17.244 -11.276 14.873 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 -3.048 1.631 -0.505 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 1.538 -13.749 12.118 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 -8.276 -14.467 -33.006 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 -3.771 0.360 -4.300 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 -5.023 -1.558 2.182 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 -12.024 26.113 1.437 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 2.465 -2.010 -5.741 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 5.886 -2.411 3.367 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 0.550 8.194 -12.788 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 4.113 1.449 -0.340 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 3.598 -1.472 1.940 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 -0.807 0.467 6.009 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 -7.112 -7.427 0.248 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 -0.286 -3.892 -1.697 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 -11.854 0.785 12.571 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 3.604 3.045 -4.505 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 15.790 24.578 -14.215 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 -13.298 3.313 -20.027 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 0.915 3.713 1.935 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 -3.226 4.123 3.661 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 -30.396 4.520 12.258 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 -3.682 -0.657 -1.601 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 -29.439 17.342 3.503 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 -5.308 -12.156 -10.868 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 5.789 -3.416 -0.366 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 -0.741 -5.389 -1.352 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 8.049 -1.086 6.030 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 -1.905 2.592 1.311 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 -0.372 -9.998 0.487 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 -5.079 20.702 3.190 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 3.010 4.608 7.692 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 -4.398 9.472 13.727 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 11.316 -0.900 1.665 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 5.082 0.423 4.541 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 17.885 12.886 -19.959 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 20.585 -0.047 14.140 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 -1.920 -8.809 11.585 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 -4.229 24.132 7.130 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 -0.313 -23.979 14.902 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 -1.727 -2.446 -6.294 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 -12.750 15.236 -3.866 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 -4.770 4.200 -4.693 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 -6.352 -1.307 7.215 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 -27.700 5.281 11.749 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 22.820 0.062 1.228 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 4.623 0.423 1.503 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 -6.546 8.664 1.752 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 -15.549 -0.564 -6.728 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 4.036 4.651 1.351 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 2.810 -11.908 -10.265 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 -9.964 15.973 8.878 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 -2.643 2.330 5.232 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 -9.298 4.309 -1.267 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 -3.788 -12.608 -5.652 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 -1.947 -1.836 1.911 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 -0.898 -1.472 -5.097 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 -5.574 0.591 6.466 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 -4.627 0.185 6.534 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 -0.935 -6.951 -0.442 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 -1.222 -11.033 -3.255 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 -1.283 -2.876 -1.152 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 -17.344 -6.790 17.290 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 20.749 -4.407 9.153 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 -1.225 2.650 2.400 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 -23.813 -10.801 20.373 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 -12.670 10.960 2.910 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 11.643 3.475 7.432 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 5.255 -4.558 -0.562 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 -2.367 17.658 -14.001 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 -3.465 1.113 -2.137 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 -24.763 -13.513 -5.724 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 -1.422 14.359 4.919 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 4.340 -3.084 0.690 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 8.283 -6.363 21.622 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 -21.836 11.163 20.186 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 1.059 -2.441 0.770 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 -2.451 -27.405 -2.748 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 4.321 -15.617 -5.932 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 -6.126 -3.502 -5.846 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 1.591 -9.366 14.418 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 0.038 -9.178 1.382 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 -2.250 3.195 9.128 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 -12.241 20.377 0.901 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 -7.667 3.112 -16.759 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 4.016 4.352 3.160 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 1.901 -17.307 1.379 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 4.306 33.825 9.732 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 -3.511 2.073 1.578 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 -9.478 -12.285 -9.091 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 14.548 1.376 -0.405 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 -0.495 -8.788 -3.848 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 -5.956 -10.595 -4.205 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 -39.096 -5.142 9.024 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 -0.911 0.284 2.509 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 11.759 3.340 -0.866 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 16.585 0.189 -3.423 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 -1.857 -0.194 -2.537 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 4.613 -1.387 1.798 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 1.930 -12.627 8.611 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 -6.229 -0.913 -1.752 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 -7.455 -0.976 -2.912 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 -20.033 -0.609 21.309 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 0.843 -1.950 6.945 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 -15.267 -1.531 1.972 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 4.488 -18.094 19.391 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 4.096 -5.912 -0.006 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 -0.135 -10.878 2.875 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 -7.612 -7.165 4.902 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 -2.015 5.745 -5.588 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 8.811 9.260 -11.818 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 -2.931 8.639 6.910 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 -1.997 2.029 3.227 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 -4.392 -16.956 16.663 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 1.762 19.741 -8.844 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 3.177 11.245 -3.138 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 0.243 -16.432 -27.153 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 12.230 -13.615 9.349 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 -4.084 3.453 -4.114 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 -8.068 14.765 -21.252 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 -7.283 7.611 -9.689 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 -1.825 11.447 -2.459 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 0.924 3.756 -2.562 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 -11.319 10.854 0.305 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 0.501 -4.754 -2.761 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 1.302 -6.956 -4.592 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 0.599 -12.301 -12.106 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 3.410 -7.077 8.026 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 10.775 -8.101 0.680 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 -5.104 -2.562 12.370 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 10.186 -5.093 2.027 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 12.852 1.962 4.677 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 1.990 -2.516 3.411 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 1.148 1.957 3.370 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 0.949 -5.296 0.566 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 -8.463 11.714 -7.793 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 -5.626 -0.109 -2.272 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 -12.055 -7.180 -6.627 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 -3.471 -3.068 6.643 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 7.592 1.049 -4.493 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 10.721 4.061 -14.638 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 7.602 5.649 -18.493 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 0.571 -0.417 -1.033 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 23.740 12.683 14.648 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 1.693 -10.559 1.408 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 -0.633 2.733 1.207 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 -1.324 15.859 6.491 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 -24.987 -14.873 15.742 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 2.821 -10.491 0.362 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 0.557 -11.680 6.737 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 -16.374 -0.728 28.494 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 -0.428 -1.768 -7.587 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 -13.609 1.756 -1.724 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 -25.956 3.669 19.117 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 1.470 -1.891 3.686 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 -3.787 -0.798 22.763 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 3.986 -17.092 10.632 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 0.601 -0.721 -7.037 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 -2.478 -0.671 -11.879 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 -4.834 -9.190 -6.070 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 -6.658 0.633 -6.468 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 0.783 3.269 5.177 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 4.925 9.454 4.130 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 -2.400 0.939 2.177 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 1.848 6.460 -15.190 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 -4.515 16.195 11.173 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 0.416 1.476 -4.218 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 3.951 1.453 5.601 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 -5.893 -6.912 -11.889 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 2.441 2.417 1.404 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 4.078 5.935 19.340 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 -2.317 -15.755 0.176 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 0.162 -1.876 -1.059 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 -6.984 14.272 -17.683 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 16.209 5.342 -7.877 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 -6.981 3.548 -1.285 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 3.202 9.739 10.803 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 20.520 -1.514 -17.795 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 -2.898 6.877 -4.332 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 -21.168 8.877 -6.066 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 -8.234 1.515 -6.255 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 -0.748 0.544 1.166 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 -13.006 22.160 -4.283 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 -5.605 -10.080 23.325 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 -3.109 7.912 -1.352 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 -0.306 2.285 -12.649 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 -8.547 0.720 6.827 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 2.784 1.580 -5.386 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 -14.271 8.591 31.357 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 -9.814 -32.645 6.764 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 1.736 1.533 1.708 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 4.183 1.023 -0.474 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 13.716 -4.357 -10.312 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 -2.108 0.278 1.573 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 -6.282 -12.185 -1.939 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 8.560 -3.865 4.797 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 6.717 -1.344 -1.429 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 1.788 5.180 8.736 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 -0.173 -8.841 -2.772 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 4.587 -2.507 4.235 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 13.802 18.570 5.435 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 12.060 -10.793 -15.752 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 2.710 0.751 5.476 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 -22.024 -27.102 -19.453 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 2.995 -30.348 -40.818 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 2.018 -3.021 -0.459 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 -5.402 -7.806 -3.075 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 1.915 3.625 -2.717 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 -3.279 -0.630 -1.040 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 -12.617 -11.693 12.146 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 -10.607 -12.882 20.887 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 -2.786 -1.566 5.174 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 0.682 22.426 -5.815 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 8.579 -21.486 -15.717 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 5.207 2.583 3.109 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 -6.995 8.142 1.596 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 7.831 1.393 -12.069 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 1.295 1.842 0.877 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 -7.368 11.753 -16.124 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 3.123 14.783 9.648 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 4.457 7.577 3.350 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 2.506 10.033 11.397 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 8.567 0.571 -35.962 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 -3.476 -0.381 -2.448 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 -3.302 -6.879 -1.302 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 -4.609 -15.295 -1.373 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 -2.167 5.650 1.464 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 -8.750 8.474 21.309 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 11.304 0.004 -18.430 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 -0.183 -1.949 -1.682 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 3.950 6.106 6.864 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 2.874 0.845 -1.634 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 -0.128 -1.123 1.147 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 5.360 -6.405 26.408 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 -18.224 18.174 -12.044 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 -1.271 -1.918 -2.887 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 7.355 -3.105 6.047 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 -14.058 6.513 -8.464 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 1.923 -3.551 6.960 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 5.249 14.348 17.640 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 3.629 -4.035 12.317 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 4.784 -0.103 0.232 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 5.371 -0.327 7.014 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 -4.312 2.575 -4.105 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 0.606 -1.561 -2.763 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 11.492 12.182 1.870 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 -10.523 -8.582 10.270 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 1.997 -6.183 -2.471 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 14.094 -4.915 -5.496 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 -1.070 -7.163 -1.355 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 12.716 -1.140 2.422 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 1.445 13.529 8.011 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 16.810 7.433 3.099 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 7.269 -1.203 -3.597 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 -9.020 34.687 2.065 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 -5.828 17.014 0.689 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 -2.789 -3.463 3.837 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 6.515 -19.779 10.928 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 7.378 -30.852 -3.499 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 3.068 -1.166 -4.288 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 14.919 4.488 32.274 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 -3.909 -2.981 -23.083 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 0.705 4.659 -7.581 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 -23.719 19.372 -10.609 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 14.598 27.762 -23.886 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 1.726 -3.585 0.618 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 -5.735 1.254 19.872 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 4.805 11.116 10.295 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 4.828 -2.736 -2.589 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 0.561 9.380 0.714 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 8.894 -26.122 -10.980 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 -0.360 -10.722 -1.804 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 6.174 13.480 -28.215 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 -13.026 15.346 13.401 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 -0.762 2.820 0.638 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 15.936 28.044 10.565 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 1.783 -7.329 9.076 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 1.772 -1.103 3.066 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 6.774 3.745 11.494 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 -10.751 -1.053 -4.767 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 -0.475 -0.099 10.984 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 29.274 -11.481 17.415 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 -9.408 2.920 7.414 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 -0.450 -3.753 6.367 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 2.504 -12.624 -1.760 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 -4.530 -4.392 4.507 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 2.524 2.753 -5.272 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 8.670 -6.813 0.804 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 6.903 11.736 0.326 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 3.603 0.337 -1.068 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 -5.357 23.857 -8.901 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 5.530 -3.018 12.219 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 2.299 1.298 -1.532 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 -1.187 -5.346 -7.143 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 -3.496 -5.342 -10.185 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 -2.953 -2.464 5.120 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 -16.503 -8.214 15.575 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 -26.114 5.892 -2.722 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 1.877 -0.911 3.924 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 -21.000 -0.412 -0.749 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 2.750 -6.228 -1.702 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 -1.426 0.300 -1.174 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 12.878 5.429 5.629 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 -12.451 -5.068 -2.740 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 9.433 -1.344 3.399 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 -6.419 2.091 -12.303 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 -4.895 -23.196 2.260 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 -0.308 2.528 -3.454 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 14.157 -1.223 6.849 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 -12.816 -7.145 24.473 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 1.811 2.798 5.137 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 15.815 12.466 -4.186 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 -13.276 7.293 15.810 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 -0.652 3.176 -1.415 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 -7.725 -11.857 6.976 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 25.430 20.759 -0.478 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 -2.427 3.541 9.639 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 5.518 -15.693 6.332 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 2.200 -17.692 4.297 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 -3.878 -0.682 0.936 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 -1.723 -4.458 -11.596 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 -2.250 1.061 2.251 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 6.170 -2.949 -5.427 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 6.804 -15.262 -7.668 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 34.895 4.408 -27.547 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 0.320 -2.691 -1.567 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 -20.194 -25.828 17.612 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 5.104 -7.026 8.904 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 2.754 -0.731 -0.572 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 -6.344 10.317 -4.490 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 -1.456 1.011 5.459 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 1.063 0.598 -1.000 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 -2.171 -38.010 -7.554 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 -30.441 2.770 24.710 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 -0.847 -10.215 -0.110 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 0.261 -4.777 -8.704 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 15.798 22.947 -4.039 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 -4.353 -0.600 1.868 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 -12.828 7.025 -4.585 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 -0.715 11.697 -14.032 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 4.495 10.461 -1.322 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 -14.292 12.590 7.879 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 5.328 4.837 13.650 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 0.188 1.499 2.806 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 2.936 -3.678 -0.463 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 -4.894 4.441 -6.287 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 -6.515 4.426 -3.131 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 8.506 -16.208 26.067 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 -0.049 -14.359 -9.941 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 -4.769 -2.387 -0.943 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 16.293 -0.722 8.694 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 -12.524 -13.350 8.919 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 4.279 1.259 1.026 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 -0.973 -4.722 -5.859 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 -4.782 -25.156 -6.570 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 -5.951 -0.781 -0.078 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 -10.599 3.278 7.700 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 -16.686 8.943 16.569 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 -5.101 -1.621 -6.380 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 23.488 -23.131 11.040 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 -15.244 -19.827 -8.856 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 0.182 -5.425 3.797 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 3.364 -14.025 -2.156 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 2.875 -7.553 14.064 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 2.313 0.013 2.918 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 1.342 -15.832 26.100 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 -0.374 6.520 14.294 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 -2.579 4.604 3.026 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 7.125 -11.301 -5.954 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 -17.564 3.131 5.275 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 -0.410 -0.537 0.950 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 4.478 5.798 15.238 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 -14.996 -11.027 5.598 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 1.517 -10.804 -0.311 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 -12.919 -0.044 26.534 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 -8.078 -13.568 -14.400 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 -1.119 -7.232 -0.187 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 -1.301 11.776 -9.661 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 -22.933 -21.535 -2.717 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 3.647 2.614 2.304 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 13.357 7.173 11.724 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 9.593 6.389 13.742 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 4.652 -0.845 0.347 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 21.978 -5.366 -18.982 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 -0.707 -5.666 3.761 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 5.121 -5.328 0.527 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 2.053 -5.162 -14.331 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 8.163 -4.844 9.165 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 2.752 -4.097 0.196 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 6.266 -11.619 -2.600 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 -3.310 -12.316 11.442 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 -3.915 -8.137 -3.756 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 -11.359 9.763 9.835 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 9.470 -7.860 -5.525 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 -3.578 -2.675 6.751 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 -0.272 -10.433 1.481 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 2.199 1.191 4.639 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 -3.113 -5.734 -2.899 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 -0.749 -3.802 -3.832 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 4.411 -5.764 -1.364 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 -6.064 0.304 -4.596 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 4.334 -18.283 14.799 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 0.776 2.401 -11.427 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 0.469 2.673 -2.466 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 -5.234 5.267 -9.164 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 7.942 -5.003 6.580 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 -8.447 2.061 2.862 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 -17.645 7.736 18.295 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 7.386 7.171 -7.549 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 -0.374 -0.698 1.392 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 6.818 -1.967 3.887 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 -9.710 16.898 5.644 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 -3.432 -1.410 -3.340 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 -26.834 4.961 -3.933 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 11.614 -4.674 -3.175 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 -3.143 5.743 0.453 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 7.598 3.510 -2.014 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 -7.725 -2.585 2.768 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 3.679 -6.080 2.130 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 -0.009 22.302 -14.945 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 -8.981 -21.623 13.022 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 -4.477 -3.345 1.713 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 23.243 -18.610 15.622 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 2.893 -7.106 5.413 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 0.415 -0.575 1.783 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 18.881 10.108 -2.401 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 -4.158 0.732 3.943 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 3.094 7.223 -1.066 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 15.816 5.937 -14.356 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 -7.518 -8.717 6.577 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 1.259 1.827 -4.889 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 15.234 -1.765 3.299 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 -8.615 24.622 -14.118 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 -9.432 -1.087 3.791 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 -3.441 7.536 8.740 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 -8.257 -14.487 -5.969 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 -5.212 7.703 1.485 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 2.852 7.434 -0.217 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 1.220 7.077 -2.620 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 1.840 0.701 8.392 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 -7.857 21.236 12.082 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 0.727 4.979 5.127 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 -1.235 4.101 -0.302 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 4.753 25.979 -4.660 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 4.841 -5.604 2.237 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 2.272 -4.586 5.442 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 13.030 4.337 -1.942 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 9.350 -11.142 3.447 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 5.133 3.478 0.901 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 -4.672 10.080 27.101 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 -24.486 -0.120 14.125 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 0.006 1.020 3.567 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 -2.766 -2.715 -6.251 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 7.054 -6.687 -6.575 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 -4.906 -3.067 1.871 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 -12.648 -15.864 -13.489 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 2.961 14.445 1.327 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 -6.353 -0.320 1.845 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 -10.285 -12.807 1.401 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 -7.520 4.771 13.902 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 -8.846 -1.929 -0.292 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 2.351 -9.212 -1.058 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 2.912 -14.051 -8.305 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 -5.472 -1.030 -4.387 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 -25.597 -6.116 -10.507 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 6.615 -16.927 23.056 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 1.065 -3.604 3.713 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 -6.602 -4.227 8.153 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 -14.367 -5.081 15.475 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 -3.156 -9.159 -2.814 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 -9.914 -7.500 3.432 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 -5.963 -8.088 -9.682 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 -0.434 2.562 2.182 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 3.042 -5.874 0.710 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 -5.502 9.231 11.151 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 4.641 4.583 -4.513 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 -14.591 -1.866 1.050 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 14.928 7.925 25.951 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 1.071 -2.704 0.145 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 9.284 7.383 2.957 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 -5.682 -15.983 -3.624 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 -1.254 4.616 0.357 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 0.945 -7.601 -2.773 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 0.870 -9.083 -4.125 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 9.483 -0.853 -3.660 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 -7.650 -1.002 12.063 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 5.644 1.328 -9.952 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 0.882 4.652 2.906 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 8.417 -12.300 15.726 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 -25.834 -3.316 17.039 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 -3.269 -4.969 -2.301 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 -19.465 26.690 17.286 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 20.110 17.367 7.242 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 0.275 -0.483 -4.022 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 -2.169 2.445 -14.029 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 11.072 -13.436 -6.857 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 -6.512 0.804 -3.187 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 -10.125 10.399 -7.795 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 -12.104 -3.438 10.689 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 6.771 -1.747 -4.784 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 14.683 -9.353 -27.153 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 -24.550 -3.157 -1.743 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 1.306 -2.445 -2.769 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 -9.361 -14.721 -10.628 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 0.220 -5.248 -3.241 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 6.953 1.569 -2.291 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 11.035 -4.148 18.167 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 -2.678 -15.654 -10.972 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 -5.429 -1.692 0.693 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 -5.576 8.269 2.160 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 -13.689 -6.100 -0.023 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 -0.689 -1.839 -0.507 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 14.803 -8.978 -13.409 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 8.830 -21.601 -9.010 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 1.706 1.067 3.209 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 -5.708 -5.376 -28.238 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 -2.104 34.058 -7.385 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 -0.033 6.209 1.750 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 17.097 -13.197 -9.337 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 -25.620 -2.547 -4.010 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 -2.179 -6.477 -0.626 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 -9.150 10.901 -10.749 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 -6.678 -8.043 7.749 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 1.849 1.913 3.404 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 -20.707 2.635 9.206 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 5.497 11.437 10.253 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 -0.901 -1.473 0.118 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 5.689 -10.139 -10.475 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 -3.036 7.757 -9.089 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 7.671 1.464 0.343 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 -24.870 -7.801 6.021 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 -24.492 -3.807 14.727 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 5.341 3.059 0.670 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 -4.579 -2.566 -7.085 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 6.504 2.686 -10.515 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 0.374 4.025 -0.866 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 3.339 5.232 -0.133 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 14.818 8.607 4.543 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 -2.805 -4.392 -2.099 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 32.906 2.430 1.555 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 -2.679 2.634 6.721 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 2.906 2.348 1.391 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 6.082 -7.040 16.702 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 2.360 4.423 -3.504 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 4.528 -0.369 -3.280 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 32.424 5.819 2.462 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 17.688 7.553 8.660 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 2.447 -0.125 -2.949 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 4.765 1.183 -1.573 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 8.361 3.604 2.561 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 2.428 -5.459 -2.819 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 -22.891 8.306 4.726 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 -2.631 13.136 -19.255 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 6.440 4.911 7.559 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 15.015 6.884 5.999 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 -2.332 2.128 8.344 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 -0.387 -4.578 -6.202 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 10.970 1.311 -4.940 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 6.658 -15.144 17.950 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 -4.937 2.010 3.419 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 -14.508 -5.513 -3.514 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 -1.265 -14.477 12.072 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 -11.501 0.359 3.908 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 -1.934 -6.970 12.829 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 -2.998 6.159 -7.997 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 -2.259 1.394 -8.831 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 -14.953 24.028 0.627 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 -0.711 -6.418 0.199 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 2.064 0.462 1.086 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 -3.972 13.183 24.702 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 -7.118 7.723 6.834 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 2.969 9.985 -1.385 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 -24.753 26.595 -11.183 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 -1.279 6.188 -3.556 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 -0.490 -0.389 -5.286 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 -13.737 3.274 -15.845 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 -8.946 6.946 -5.427 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 -3.726 0.989 -5.252 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 24.203 -6.867 32.108 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 -27.133 29.935 -0.020 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 -5.223 -0.835 -5.693 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 6.112 -7.438 -0.615 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 -14.876 3.355 -0.938 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 0.712 -1.573 2.643 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 5.298 -14.977 4.953 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 -9.063 23.088 -4.511 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 0.164 2.146 4.970 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 -9.742 -2.342 -11.898 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 2.607 6.676 11.749 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 -3.314 2.612 9.898 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 -24.046 1.555 -3.767 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 2.201 -10.093 18.689 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 0.985 -1.806 9.433 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 -20.432 15.794 28.708 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 14.989 -10.573 -4.245 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 -5.452 -5.269 0.015 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 -13.416 11.460 17.045 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 21.318 -14.864 -1.015 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 8.848 2.977 -1.618 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 23.065 11.631 1.362 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 -0.022 -2.456 -3.588 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 -3.646 -1.838 -3.080 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 8.218 -15.325 -2.379 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 -24.465 -1.100 -4.890 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 -4.217 -1.151 0.865 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 3.819 6.489 5.330 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 -13.789 -18.373 1.777 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 3.035 0.005 -1.977 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 -8.902 -8.738 -5.145 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 6.446 -2.759 -9.685 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 -2.035 -1.137 -0.272 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 -11.977 -0.467 -19.025 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 -19.372 1.599 -4.414 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 5.519 -4.073 0.902 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 1.422 -14.454 5.760 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 11.515 -9.852 -9.047 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 1.891 -4.023 0.215 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 15.078 -12.146 21.841 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 6.482 -1.413 -2.838 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 1.659 -2.674 -3.629 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 -7.515 20.428 -6.988 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 -14.819 -18.113 3.819 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 1.364 5.485 1.879 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 -16.386 15.083 -1.975 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 -0.172 3.348 8.589 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 2.977 2.408 0.721 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 -11.389 -1.377 2.773 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 2.590 8.910 -11.461 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 6.655 -1.216 -2.773 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 9.668 4.099 1.263 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 9.185 3.644 -2.752 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 -4.498 1.174 -3.953 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 -5.911 -9.306 6.680 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 -2.571 -3.523 -3.853 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 1.177 -1.949 -0.595 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 -4.591 -2.132 -8.606 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 0.964 5.315 -0.104 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 1.257 -1.980 -3.488 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 -25.078 -0.825 16.987 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 -6.905 8.925 2.459 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 1.498 -2.442 -2.024 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 26.939 -2.738 4.810 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 0.266 3.226 -5.825 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 1.678 -3.440 -2.783 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 8.005 5.308 -12.444 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 -1.585 0.678 9.557 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 -7.747 0.820 7.621 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 13.258 -5.943 -1.905 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 -5.017 2.690 11.303 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 1.209 -0.461 8.011 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 4.326 11.039 9.027 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 13.176 -3.101 16.556 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 0.460 1.541 -3.723 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 -1.872 25.587 -0.890 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 -10.245 -11.442 -3.042 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 6.153 -4.424 -0.681 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 12.622 -10.339 -7.389 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 12.618 -2.391 -8.973 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 2.718 -0.845 -0.992 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 2.914 0.246 -8.663 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 5.145 -7.957 -2.535 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 2.573 1.135 2.643 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 4.803 1.389 1.887 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 -0.413 -19.276 1.108 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 -1.722 1.054 2.542 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 -2.447 -10.271 7.564 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 -8.130 5.481 2.146 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 0.869 -2.163 2.197 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 -17.507 2.075 -13.766 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 -3.695 -10.108 6.157 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 -0.009 -0.728 0.598 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 -12.252 12.075 1.566 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 5.406 -0.085 -16.964 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 -0.791 -6.884 3.551 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 10.419 -0.902 10.714 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 7.307 -2.222 9.187 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 -1.648 -1.408 -1.460 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 -24.839 -13.746 -12.734 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 -2.643 24.088 -0.316 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 -2.254 2.660 -0.467 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 -3.366 1.922 -2.501 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 1.304 14.321 -10.882 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 1.417 2.654 2.925 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 10.532 19.625 13.267 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 2.015 10.170 10.860 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 -1.527 -2.584 -2.207 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 -9.244 -19.749 -4.363 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 -8.751 -7.829 1.219 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 5.648 -2.146 -7.749 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 12.343 16.907 3.593 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 18.221 8.089 21.957 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 7.491 -1.160 -2.023 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 -2.710 -1.558 -16.482 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 3.996 13.522 7.865 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 4.502 6.964 -0.950 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 13.369 -16.370 -8.977 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 16.638 -9.101 34.743 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 6.545 -7.101 2.796 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 12.246 0.880 -15.116 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 -12.657 5.161 9.684 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 -0.429 3.336 -2.753 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 -3.968 1.718 -9.932 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 -6.544 -13.687 3.690 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 -0.738 -1.336 -0.862 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 4.046 9.448 14.183 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 10.489 4.143 -6.336 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 2.447 4.625 1.228 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 5.786 7.279 -1.677 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 11.378 -4.434 2.658 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 3.784 3.061 -6.239 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 7.196 -4.941 -0.169 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 6.218 -2.892 -10.632 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 -4.367 4.745 1.789 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 -14.033 -4.546 12.317 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 -18.740 26.770 25.941 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 0.820 -1.527 -1.455 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 0.732 14.960 -5.898 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 15.924 13.213 10.671 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 -0.335 -5.512 6.523 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 2.622 -0.886 4.602 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 1.356 -1.504 4.982 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 0.177 4.984 -4.502 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 -9.292 2.881 -2.993 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 18.925 -0.824 -19.280 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 1.627 7.250 4.160 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 19.703 -23.069 -11.906 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 -6.253 17.620 -18.110 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 0.926 3.384 5.838 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 -17.742 -13.217 15.500 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 17.171 -7.362 10.415 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 4.543 -5.368 -1.654 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 3.500 -14.024 0.979 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 5.582 13.241 -1.360 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 -3.350 -4.037 -2.814 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 -11.919 -11.454 -18.147 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 1.706 1.256 14.492 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 0.167 0.361 -0.051 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 -0.311 2.953 -7.275 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 -7.971 -3.479 1.249 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 1.037 -4.326 4.014 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 -4.689 -0.376 15.263 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 -11.556 -4.526 -4.056 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 -0.008 -5.599 -2.455 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 13.212 -30.970 -2.974 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 -3.984 -8.016 3.901 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 -9.014 -2.159 1.170 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 1.995 -13.384 -6.136 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 -18.904 7.016 5.907 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 5.817 -6.212 -0.978 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 -4.126 24.899 0.711 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 20.147 2.670 -6.340 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 -1.324 -5.210 -2.542 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 4.003 16.637 3.316 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 0.086 0.673 -0.692 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 5.232 -2.619 0.692 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 -3.707 15.167 3.247 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 24.619 1.416 3.599 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 2.824 -0.459 -0.604 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 -25.581 -4.557 -9.113 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 -6.557 0.022 -17.562 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 3.064 2.879 0.657 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 -13.990 23.452 7.459 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 -9.107 4.363 17.616 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 -2.811 6.853 1.966 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 7.838 -5.132 -12.942 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 -23.378 3.588 -3.873 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 -3.224 6.605 0.085 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 -10.008 -6.452 20.606 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 -3.134 23.211 6.484 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 -2.041 -0.760 2.793 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 1.667 5.946 -7.233 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 -3.401 -0.889 -9.265 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 4.468 -0.732 -1.474 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 6.822 0.367 0.368 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 -10.290 1.216 -11.734 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 -1.374 2.286 4.542 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 2.210 6.956 -8.010 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 -13.477 17.968 11.142 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 2.808 -0.102 0.663 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 -27.203 2.561 3.187 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 12.471 -5.775 -0.714 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 2.848 -5.344 -0.360 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 -0.323 -19.418 -8.505 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 10.317 -14.336 -10.754 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 0.051 4.305 -3.330 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 -0.565 -23.784 21.513 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 -16.759 17.610 16.169 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 -10.441 2.822 1.464 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 13.120 6.605 26.936 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 4.228 10.752 -4.081 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 10.583 -5.730 -2.992 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 7.934 3.444 -7.052 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 -9.350 11.149 -4.997 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 -4.151 4.430 -0.988 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 -2.132 0.697 8.998 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 -4.486 -4.303 -6.031 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 3.377 1.070 2.493 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 -16.764 0.798 -5.047 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 -13.591 -3.396 -6.413 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 -2.289 5.452 -0.446 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 14.835 24.411 1.376 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 -21.664 16.551 -17.464 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 -1.729 -1.957 4.863 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 -7.566 0.809 6.523 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 10.588 12.173 -20.654 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 -1.366 -5.888 -0.206 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 9.905 3.713 28.113 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 -1.616 -12.624 -6.344 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 4.219 -2.507 2.224 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 -2.130 5.074 9.456 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 -10.353 14.315 11.969 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 2.081 6.229 2.361 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 -8.344 6.058 3.060 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 -1.911 20.062 -9.257 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 -2.631 0.882 6.741 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 -2.373 -5.079 6.888 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 2.792 -28.195 13.861 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 3.612 0.753 -1.731 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 -24.749 -23.159 -0.623 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 35.239 7.192 -2.405 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 -1.903 3.542 -7.981 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 -12.258 -18.654 -6.249 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 16.970 16.131 10.134 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 -2.707 2.726 4.219 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 19.767 5.727 7.128 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 -12.504 -5.314 3.952 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 -1.518 2.968 2.403 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 -8.882 21.908 17.196 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 -3.171 -0.686 -3.405 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 -0.644 -2.657 0.370 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 -1.808 -2.653 -4.478 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 -2.669 -4.970 1.214 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 0.610 5.791 -1.286 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 5.617 2.481 21.528 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 3.001 4.847 -11.094 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 3.201 1.901 8.800 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 -1.625 -4.328 14.515 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 -3.457 -2.022 15.552 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 3.555 -6.135 -2.227 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 5.273 -12.436 -3.152 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 7.079 -0.049 7.615 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 1.765 -3.090 1.766 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 0.839 -9.721 0.359 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 -5.022 -1.198 4.749 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 -2.768 3.456 -0.473 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 -6.448 -9.291 0.159 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 -12.039 0.658 -10.188 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 1.778 2.460 -2.710 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 2.035 1.955 -4.411 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 16.775 11.836 -1.620 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 -4.163 -5.401 -4.337 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 -22.164 -0.466 -0.519 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 6.936 -8.408 -5.553 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 -4.594 2.132 -7.096 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 14.103 3.158 -19.076 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 -14.303 0.946 -0.987 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 2.259 -0.720 -4.698 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 0.979 1.643 1.410 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 10.909 -6.201 -7.623 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 5.167 0.851 -8.734 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 -4.254 -29.392 -15.801 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 8.569 -3.659 24.192 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 -7.832 0.054 -0.962 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 -2.675 -1.636 7.860 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 -9.252 0.084 -11.462 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 0.566 7.627 0.193 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 -25.552 10.885 0.104 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 -4.255 2.231 -10.432 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 -4.560 3.326 -0.848 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 0.498 -17.187 -19.918 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 12.480 17.219 -7.885 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 -0.755 -3.966 -2.873 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 -5.177 -12.800 -0.886 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 1.043 -3.571 2.304 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 4.087 -5.814 1.463 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 -0.102 -9.137 1.610 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 -8.508 -7.325 2.870 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 3.651 4.382 -0.389 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 5.216 10.200 4.015 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 0.354 1.812 -11.381 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 -2.795 -0.996 -2.364 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 3.847 -0.666 -12.038 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 -9.164 -10.258 13.027 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 2.308 -1.117 -0.740 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 -5.491 -16.484 -3.224 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 16.589 9.023 7.406 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 -4.566 3.794 -2.935 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 -3.565 3.221 5.289 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 3.228 3.423 -2.653 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 -0.237 -0.095 1.814 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 24.522 3.113 -7.724 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 9.119 0.606 5.820 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 0.321 0.792 -1.164 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 3.110 7.810 -1.642 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 12.665 19.387 3.510 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 -5.632 -1.903 -9.519 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 -12.396 3.702 -5.817 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 -6.393 -11.684 -6.443 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 -7.285 -4.946 -3.590 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 1.348 -6.214 -1.457 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 -19.936 -1.005 -8.235 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 -0.218 -3.335 -4.832 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 -7.594 5.802 3.092 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 -17.945 6.020 5.167 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 4.182 -1.275 5.493 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 -17.189 7.100 2.274 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 -4.938 16.106 1.328 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 -6.123 -4.339 1.478 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 -11.423 -19.056 -6.270 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 9.476 4.103 -14.952 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 -7.017 -4.827 1.694 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 -5.024 17.473 -3.794 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 -3.473 37.739 -8.611 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 2.076 -6.460 -2.073 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 -7.880 -11.468 9.944 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 10.652 6.352 -9.666 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 1.429 -4.190 2.487 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 0.748 -1.374 -3.633 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 -11.577 20.470 -0.487 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 6.097 3.026 -2.167 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 5.227 10.035 39.684 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 3.966 6.981 0.630 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 0.244 0.629 1.541 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 -2.693 24.224 2.995 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 24.813 -2.830 16.053 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 6.011 0.687 -1.890 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 23.504 28.970 12.228 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 -11.449 -28.264 -15.488 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 0.852 -6.365 0.928 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 0.991 -12.401 -2.278 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 5.079 -0.916 -0.387 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 5.324 -7.935 3.150 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 -6.191 3.089 -14.010 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 1.914 -2.573 -5.617 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 4.343 -1.563 -10.055 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 -4.173 -10.171 -16.616 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 20.096 -15.379 7.421 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 1.095 2.807 1.899 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 -6.265 -26.255 7.585 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 -1.790 -1.362 0.556 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 4.285 -2.703 -1.872 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 3.692 -8.380 -2.393 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 8.485 11.870 10.737 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 0.452 3.519 -1.878 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 2.714 3.647 4.493 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 -1.702 15.841 -2.227 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 -0.404 -3.809 5.466 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 8.149 4.860 27.863 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 -19.636 11.301 5.441 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 -2.113 -0.497 -3.218 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 -5.409 -3.840 4.675 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 1.210 2.245 -14.171 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 -8.917 -12.884 4.134 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 -16.639 -4.987 -13.880 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 5.320 -15.934 13.919 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 -6.310 3.064 -2.538 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 -4.702 27.138 -7.016 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 16.981 -1.673 24.887 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 5.608 1.896 -4.220 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 4.220 -6.249 7.746 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 13.768 14.703 -0.402 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 -2.151 -0.195 -5.643 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 13.381 4.394 10.876 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 -9.477 16.530 -7.521 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 3.746 -0.418 -3.242 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 -0.534 9.516 -8.890 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 13.247 -0.029 -16.316 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 -2.163 0.919 -6.297 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 3.924 14.433 -16.594 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 -3.183 6.606 -5.345 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 -5.918 -3.528 -0.348 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 -8.825 -20.344 -30.298 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 5.512 19.440 -1.217 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 -11.476 -4.562 0.196 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 -20.316 -3.594 9.643 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 9.785 2.036 -17.286 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 1.075 -2.348 -2.615 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 13.959 0.207 1.977 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 -16.891 -3.225 -11.213 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 0.739 3.386 3.306 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 8.759 1.050 15.801 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 5.975 -0.220 5.888 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 -0.465 4.546 -6.079 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 13.290 -1.849 -6.239 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 5.068 12.825 -6.303 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 -0.753 -0.386 -2.701 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 0.912 -15.379 11.306 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 -1.785 10.329 -10.970 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 0.115 5.724 4.477 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 6.021 6.647 14.891 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 16.193 -7.095 6.576 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 -2.460 3.250 6.729 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 -2.695 -0.896 7.758 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 -3.963 -24.036 12.836 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 5.057 1.474 1.611 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 4.814 -8.008 12.536 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 2.989 5.063 0.690 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 -0.490 0.747 -0.067 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 5.573 -14.903 -15.096 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 1.443 -6.068 -4.019 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 -2.605 -0.618 5.329 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 -1.382 0.275 -5.257 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 -11.195 3.543 3.672 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 -1.760 8.010 2.039 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 6.833 -2.231 4.935 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 -20.870 -1.101 -3.757 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 -1.985 -0.422 -1.531 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 0.963 17.723 45.804 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 -2.955 5.676 -4.790 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 1.009 -1.140 6.910 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 -4.394 2.108 7.622 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 -8.250 -12.818 6.828 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 -3.485 -5.402 4.837 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 11.350 -13.327 12.136 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 14.075 -5.412 -0.217 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 0.808 -2.354 2.984 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 -4.661 9.312 -13.305 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 -10.123 -5.570 -2.248 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 -0.504 2.742 1.072 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 -4.587 5.324 3.604 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 12.626 15.600 -8.810 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 -0.381 6.502 0.183 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 -1.415 6.854 -10.238 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 7.378 6.597 -1.066 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 -3.579 5.725 1.572 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 -11.808 4.410 21.801 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 5.484 -27.509 11.028 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 -0.160 -0.547 1.971 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 2.176 -13.795 -14.870 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 -9.428 13.860 1.941 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 -0.900 -3.154 -2.613 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 2.043 10.335 0.525 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 -13.176 -17.299 23.545 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 -1.508 6.806 3.341 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 17.853 -8.897 -1.131 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 6.648 -3.876 3.447 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 -5.778 -4.113 7.978 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 -3.421 8.612 -2.825 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 8.877 17.585 -19.088 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 5.071 0.139 -5.499 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 7.147 -5.791 -13.600 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 9.833 0.224 4.124 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 -2.053 0.169 -5.043 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 9.073 7.665 2.797 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 -2.177 17.854 6.549 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 -5.273 -1.670 2.355 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 -7.483 -4.892 -4.718 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 -10.604 1.251 1.143 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 1.203 3.980 4.239 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 -12.313 -0.012 11.148 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 -6.281 -1.401 -11.238 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 -0.361 0.275 3.713 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 -0.754 3.246 11.195 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 5.066 -5.183 -10.951 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 8.443 2.531 1.407 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 0.361 -0.348 8.637 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 21.613 -4.130 7.502 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 2.429 3.016 -0.869 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 1.809 -1.030 10.889 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 24.764 14.715 -11.304 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 0.429 0.720 5.243 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 5.989 -0.224 -0.415 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 -3.906 6.971 -1.175 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 0.695 5.177 -1.508 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 0.454 4.372 -4.647 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 0.671 11.645 14.777 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 1.307 2.977 -6.053 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 15.735 4.925 0.242 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 30.392 -5.044 -26.391 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 -4.296 -2.845 7.499 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 -20.512 7.061 -6.100 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 -10.226 -31.955 2.640 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 0.137 1.251 -3.298 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 -13.397 -17.437 -36.248 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 -24.130 31.498 2.662 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 0.336 -4.878 1.687 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 18.456 -2.685 21.317 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 -4.694 -8.789 -3.193 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 -4.022 -11.720 -0.076 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 -4.941 -22.325 8.006 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 9.081 -12.615 -4.767 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 2.216 -6.018 4.273 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 2.984 -5.875 -2.612 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 -4.061 -3.565 5.604 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 -2.552 -4.053 4.592 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 -7.153 -18.000 6.972 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 12.298 -1.046 0.855 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 -5.012 -5.560 4.648 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 -11.078 1.624 5.373 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 -12.689 6.675 6.858 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 -2.472 -7.629 -1.584 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 3.115 -10.664 -9.900 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 -7.895 -2.448 21.610 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 -2.251 2.070 -3.323 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 -6.400 2.516 8.319 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 -3.611 2.371 -3.482 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 3.101 1.161 0.615 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 -1.835 19.945 17.899 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 -13.582 7.169 -8.667 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 3.071 4.301 5.199 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 -21.000 -3.119 -13.801 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 -19.968 0.678 0.796 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 -0.459 -4.624 1.028 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 -12.488 -21.399 6.630 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 -16.580 6.951 -1.447 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 -1.997 0.812 -2.566 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 17.761 16.314 -11.435 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 -25.149 17.209 -13.804 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 -0.868 -5.573 2.550 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 1.883 -23.065 3.894 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 2.120 -13.213 8.217 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 -1.751 1.319 -3.964 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 -20.770 1.129 30.764 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 -17.214 -0.152 7.275 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 0.383 -3.605 5.415 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 -0.589 -2.603 5.675 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 -19.268 8.042 15.180 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 2.371 -2.747 -3.329 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 -5.894 6.052 4.032 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 -19.204 6.595 -16.664 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 2.843 -5.811 -2.254 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 -16.269 4.181 4.982 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 17.083 2.539 -6.365 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 2.476 0.472 0.992 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 29.950 7.930 13.118 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 -13.016 2.131 -1.247 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 0.065 -1.631 -3.633 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 0.527 9.923 32.575 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 5.642 -1.484 0.476 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 -0.324 4.564 2.278 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 -1.098 3.465 8.949 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 0.889 9.270 1.808 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 -1.110 -8.293 3.134 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 -8.467 -19.698 20.601 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 -16.590 -3.680 10.236 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 -1.815 1.071 -1.860 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 -1.757 8.084 -4.181 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 -6.304 0.018 -10.969 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 -6.158 -0.479 6.751 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 0.799 37.921 -20.228 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 12.053 -13.833 10.583 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 0.516 -1.629 -1.562 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 18.710 17.945 -11.034 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 -0.080 -22.527 -12.362 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 2.916 -4.052 1.066 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 3.556 0.396 0.360 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 -0.490 -4.247 -3.616 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 0.259 -7.114 2.188 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 6.666 3.135 6.956 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 0.223 -10.740 6.766 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 6.819 -6.968 0.714 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 14.676 -1.112 -11.549 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 6.244 6.317 7.922 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 -2.028 -4.190 6.509 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 -0.178 5.513 10.042 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 -4.106 -12.368 0.819 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 0.536 2.414 1.148 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 4.227 10.482 0.667 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 -16.757 10.561 -5.537 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 2.990 -2.907 -0.926 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 0.641 -6.200 -3.540 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 12.803 -10.279 -3.950 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 -4.898 -5.654 -6.212 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 -9.076 -3.918 -13.073 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 -5.742 2.464 -2.636 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 2.015 2.165 5.125 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 -0.259 5.437 6.513 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 5.102 -4.242 1.872 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 -3.279 -2.125 0.470 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 -4.583 25.967 -20.360 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 4.164 -5.104 10.976 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 -6.089 -5.125 0.502 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 -20.707 -0.801 -7.124 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 20.560 -4.992 -14.898 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 0.037 0.762 4.684 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 1.101 -9.182 0.877 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 8.391 -0.013 9.389 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 5.468 -0.136 4.790 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 -0.191 4.373 18.593 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 3.445 -3.300 15.043 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 -2.988 1.162 -1.565 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 -1.848 -4.422 3.887 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 17.906 10.208 -5.945 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 -3.483 0.473 2.770 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 8.799 0.668 6.888 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 -0.504 -8.560 6.688 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 -0.842 -1.674 -0.998 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 -2.024 -6.569 4.800 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 2.276 4.304 -10.253 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 -2.275 -1.419 5.925 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 11.335 16.228 14.277 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 43.797 -33.486 10.431 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 -6.090 0.250 2.996 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 -2.957 -14.636 2.739 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 -7.560 -0.464 4.907 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 -1.611 -0.319 5.792 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 3.206 1.293 8.151 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 4.696 -0.652 17.977 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 6.249 0.746 -0.301 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 19.407 -1.505 3.902 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 0.512 -9.762 -13.204 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 2.353 0.387 -6.634 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 1.658 -25.284 -18.270 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 0.126 10.200 -1.756 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 0.437 6.452 0.933 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 -0.606 -20.322 -11.941 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 -15.527 -9.415 11.085 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 1.413 7.451 1.599 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 4.530 3.923 1.515 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 1.946 4.098 -2.193 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 2.186 2.777 -0.243 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 5.184 7.755 11.066 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 3.901 -12.115 -1.216 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 -1.836 2.969 -5.285 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 -5.058 -10.052 -10.696 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 8.778 10.443 -1.089 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 1.167 1.938 -3.345 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 7.358 29.824 7.048 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 -0.793 -1.366 16.665 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 -6.598 -5.084 0.583 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 -32.740 11.286 3.866 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 1.221 -8.757 -0.026 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 -2.027 0.883 -1.105 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 -32.940 -5.742 9.223 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 4.149 4.685 -4.698 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 0.261 3.504 -1.677 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 -1.652 12.822 -1.256 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 -13.281 10.156 2.191 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 3.765 12.156 3.170 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 -0.166 29.649 8.510 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 -13.683 15.998 6.763 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 0.160 1.160 -4.380 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 -14.195 -6.846 -9.412 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 7.587 -20.415 1.083 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 -5.985 1.015 4.186 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 -6.928 1.994 -1.020 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 -0.818 4.370 3.706 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 1.443 7.174 -6.596 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 -2.426 -9.620 0.107 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 -17.063 5.267 4.339 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 -3.480 0.859 -5.435 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 -3.815 7.098 10.696 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 10.398 -17.489 0.296 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 4.881 2.295 0.208 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 5.505 4.891 4.214 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 -0.515 2.217 -0.455 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 1.241 -4.251 -1.356 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 -2.522 -12.182 -4.398 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 2.052 -9.876 -3.593 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 0.815 2.974 -4.086 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 17.293 3.002 -8.492 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 -2.379 -1.938 -0.676 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 -2.370 -1.614 4.520 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 7.117 9.243 -5.299 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 -7.493 -0.328 -8.792 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 0.967 -1.192 3.467 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 -21.930 -24.625 4.879 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 14.289 25.264 -0.648 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 -1.056 6.909 7.493 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 -1.590 -9.431 -7.080 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 -5.370 27.378 11.450 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 -0.343 -3.008 -2.672 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 -17.844 -1.814 -16.114 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 11.495 -14.254 7.634 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 3.716 -3.327 -0.322 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 0.272 5.590 -11.411 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 16.393 1.578 4.174 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 6.943 0.308 -6.066 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 10.028 -1.127 -14.161 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 -0.953 0.921 -4.167 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 0.042 3.860 -4.585 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 -1.406 4.728 -12.574 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 9.071 22.905 15.304 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 2.880 4.604 -3.745 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 0.731 3.352 -11.111 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 10.694 35.798 -5.098 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 6.391 1.571 1.983 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 7.272 5.603 12.409 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 5.050 6.847 2.316 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 -6.164 0.864 0.084 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 -1.438 4.188 -0.537 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 -11.473 -3.776 1.130 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 3.143 -2.347 1.269 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 -1.617 3.669 5.508 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 3.725 -3.661 0.907 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 7.227 -0.875 -9.614 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 30.019 1.509 -1.606 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 -1.653 10.874 -19.292 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 6.994 -3.718 6.212 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 19.454 -13.950 6.746 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 13.349 12.740 5.405 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 1.476 -0.301 5.567 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 1.644 -10.295 3.578 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 1.342 7.275 3.331 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 -0.496 -4.276 6.480 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 -14.158 12.675 -17.887 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 26.304 11.062 12.658 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 -0.787 -0.215 -0.991 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 3.591 -20.115 8.790 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 5.747 4.003 -4.708 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 -3.553 3.761 6.056 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 -7.562 10.032 14.635 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 -3.199 3.224 4.839 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 -3.738 -3.949 1.976 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 9.533 2.045 -6.619 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 -1.972 -3.306 0.745 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 -3.408 -4.181 -1.412 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 -6.063 -11.784 13.444 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 -5.172 8.987 -23.072 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 -4.586 -6.048 -2.035 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 -6.440 6.948 -16.782 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 -7.393 4.678 14.251 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 -0.216 2.573 1.212 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 1.328 3.786 7.244 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 10.874 19.968 5.628 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 1.597 0.729 -2.009 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 -12.896 -6.838 10.188 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 -22.442 -13.843 -5.940 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 -4.319 -9.019 -2.591 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 -13.971 9.090 5.243 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 19.497 -11.342 7.536 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 2.158 -0.059 1.882 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 -10.619 -1.647 7.374 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 -1.093 -16.498 9.988 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 -0.312 8.395 5.160 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 0.811 11.305 -5.982 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 5.371 1.631 9.263 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 0.529 4.643 1.002 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 14.738 -0.211 -0.978 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 4.907 -5.296 -7.488 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 2.801 2.345 -2.499 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 10.193 3.569 2.562 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 5.342 2.030 -9.449 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 -1.498 1.564 4.078 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 -9.131 -7.537 2.195 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 -12.674 6.980 -2.273 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 -0.531 -2.449 -0.965 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 -13.019 19.861 -16.098 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 9.805 4.430 0.170 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 5.109 4.527 -3.279 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 -12.416 10.877 -13.676 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 1.081 21.986 8.297 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 -1.382 -1.513 -4.040 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 -15.667 32.932 5.543 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 -10.722 -21.049 8.443 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 -1.136 -8.188 0.355 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 -0.854 -0.751 1.007 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 6.720 -36.239 -23.119 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 2.586 4.999 -1.351 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 21.358 3.813 -23.897 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 -27.589 0.679 5.595 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 -1.811 -7.994 -10.119 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 -2.658 -7.964 1.268 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 -3.899 -4.719 20.051 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 5.842 6.852 -2.756 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 -15.296 15.001 -0.627 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 0.431 -10.692 11.256 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 -1.011 0.513 5.501 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 -4.560 -2.656 4.663 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 -10.228 -0.555 6.425 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 -6.504 -5.280 6.107 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 11.377 0.162 6.477 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 -15.638 9.206 -15.244 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 0.369 4.327 4.355 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 8.305 -2.181 -27.418 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 2.151 -1.889 7.897 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 1.353 2.469 7.855 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 5.255 0.103 10.088 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 29.365 -1.384 19.372 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 -3.795 2.184 2.411 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 30.673 -6.609 -2.545 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 7.151 -22.845 -6.056 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 1.708 -5.437 -0.138 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 7.200 -7.734 -21.030 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 -20.071 0.605 -6.734 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 0.618 4.735 -1.906 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 13.280 4.944 -6.372 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 -2.902 17.218 5.510 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 0.197 -5.769 3.117 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 4.393 -15.332 -6.656 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 -13.673 14.560 2.612 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 0.960 -1.100 -2.715 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 2.096 2.474 -3.321 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 2.147 5.618 -9.393 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 -2.731 -2.216 5.335 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 -24.858 2.593 8.063 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 3.529 10.936 -17.524 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 3.367 -2.087 -6.564 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 17.313 -9.184 -8.939 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 8.202 -20.071 -27.286 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 0.810 4.218 -0.180 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 1.817 22.245 -10.532 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 1.321 11.598 -2.172 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 -1.597 -4.626 -3.975 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 9.651 -10.234 -12.210 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 4.646 -27.082 -12.651 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 -5.921 -1.216 4.430 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 -21.217 -10.153 -5.695 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 -15.896 3.359 -11.930 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 -1.764 -2.088 -2.184 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 -12.201 2.662 -21.413 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 -0.406 -3.723 -1.286 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 -0.078 5.814 -2.388 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 33.646 -3.416 -7.528 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 -28.340 3.583 11.565 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 5.815 -5.432 2.572 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 12.730 -13.386 18.401 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 -1.775 0.126 -14.818 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 -0.390 1.596 -5.897 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 -2.566 -0.027 -6.267 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 -5.274 -10.761 -12.642 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 4.353 -2.208 -3.638 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 22.451 -6.431 4.413 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 -4.048 -13.005 9.289 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 -0.143 -4.100 0.014 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 4.213 -0.068 1.738 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 -2.206 -11.866 -2.904 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 -1.010 5.787 2.683 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 -9.507 -10.278 -2.447 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 -6.882 12.003 -11.347 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 -1.190 3.379 0.467 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 -9.689 2.890 1.246 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 -2.368 -4.103 -3.522 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 0.231 -2.344 -8.280 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 -2.133 4.014 -2.167 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 4.716 -10.062 -5.523 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 7.931 -3.913 3.580 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 -17.125 -9.193 4.975 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 7.245 -11.497 -4.829 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 -1.722 6.270 -5.061 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 7.933 -35.681 -16.829 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 9.550 4.227 -7.130 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 -2.777 2.421 -3.912 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 -3.344 18.017 -21.687 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 18.401 -2.171 2.845 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 -0.664 -6.145 -7.190 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 27.560 -1.437 -20.648 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 -14.248 -24.462 -10.045 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 -2.043 4.945 4.641 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 9.446 -5.051 -2.387 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 1.337 9.938 15.866 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 -9.087 -1.501 -0.209 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 4.708 6.845 9.392 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 -39.221 -23.442 -6.311 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 -2.940 -0.911 2.634 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 -6.202 0.780 1.967 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 -1.557 12.183 -3.145 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 0.726 9.185 -0.557 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 16.775 19.456 13.117 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 -17.909 9.377 11.767 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 -7.723 4.139 2.885 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 -16.887 20.602 16.826 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 -12.885 18.152 5.827 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 -2.330 -0.183 -1.094 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 21.412 11.203 -12.784 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 8.867 -2.338 10.564 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 1.780 0.058 1.309 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 14.259 -18.606 9.409 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 10.791 10.711 -4.140 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 -5.248 -1.348 5.180 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 2.758 -19.196 -0.151 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 -15.272 20.887 13.280 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 4.877 -6.961 -1.850 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 -10.770 5.847 3.123 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 -27.883 12.405 -0.191 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 0.002 1.458 2.337 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 -0.234 -8.627 -10.644 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 -4.661 -7.423 12.749 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 1.199 -4.786 6.106 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 -2.643 -12.049 7.500 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 16.184 11.967 -18.581 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 -2.615 -3.571 -3.213 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 -11.498 3.792 -1.608 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 -4.528 -16.898 0.811 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 -8.039 -3.896 2.766 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 1.348 -8.298 -0.181 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 -3.419 8.153 -0.623 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 7.642 -4.881 2.672 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 -0.046 9.445 5.670 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 1.235 -35.287 -18.391 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 -0.443 -4.810 5.435 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 4.350 5.444 8.203 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 -0.535 -15.070 -12.903 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 0.394 1.592 4.569 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 -10.223 -9.016 -1.390 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 -5.640 1.407 5.089 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 -4.824 -4.451 -3.396 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 -28.906 -22.909 16.244 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 22.321 10.249 -14.270 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 -0.647 6.543 1.847 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 -11.241 15.570 8.696 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 -28.814 -11.674 17.514 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 5.907 -6.378 2.265 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 6.620 -8.392 2.628 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 7.087 -0.804 2.701 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 3.079 -7.309 7.148 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 -11.238 5.471 3.912 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 -24.372 1.758 12.445 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 2.415 1.311 -3.203 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 8.711 4.449 3.260 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 7.259 -18.057 1.966 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 1.132 3.069 -1.047 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 11.163 -1.712 -13.650 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 7.666 -10.434 3.997 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 -4.412 0.416 3.264 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 -6.161 -5.944 1.625 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 -6.114 -0.330 1.906 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 -3.733 -1.295 2.766 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 -8.913 8.097 16.260 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 3.139 21.988 2.609 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 3.779 -5.059 -5.387 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 -0.235 -3.514 -5.165 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 -16.562 1.787 1.003 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 -1.838 -9.979 -0.914 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 -1.513 -2.325 6.970 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 -19.453 -21.285 -6.128 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 5.373 2.000 3.640 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 -8.141 -4.365 -2.999 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 18.673 -13.577 1.531 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 6.450 -2.345 -0.193 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 16.439 17.217 45.009 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 12.067 -2.298 0.645 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 -4.706 -1.077 -3.428 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 -0.869 1.399 -5.253 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 -10.375 -16.312 5.497 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 -7.643 1.743 2.949 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 -9.252 1.980 8.968 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 -8.449 -2.043 -9.551 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 4.776 1.052 -3.038 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 3.313 8.354 -8.930 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 5.741 6.184 -3.209 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 -1.109 -2.343 1.560 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 5.020 -1.102 -6.868 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 -3.880 -4.423 4.835 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 -1.371 -3.666 0.363 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 -10.968 -12.871 -19.191 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 3.167 -13.875 5.206 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 -2.354 -2.878 -0.823 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 -3.447 2.991 2.651 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 -0.892 -9.936 -1.486 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 -2.294 -5.209 6.063 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 -5.459 -7.262 -0.696 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 5.948 -10.148 0.330 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 -0.333 4.842 1.510 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 4.098 16.547 -7.456 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 9.161 -13.740 -6.595 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 -1.576 4.531 -1.507 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 0.178 5.214 25.524 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 -26.906 -13.303 -6.739 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 3.475 6.838 -4.954 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 -0.370 -10.340 -19.188 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 -14.714 -5.683 -3.003 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 7.354 2.645 1.509 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 4.498 -1.514 -1.709 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 11.746 1.690 -7.429 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 2.348 -3.153 -5.493 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 8.394 2.764 1.683 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 4.874 -11.783 -21.167 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 -0.088 3.221 0.012 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 2.795 -1.078 -3.005 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 6.908 -2.060 -2.146 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 -3.709 8.011 3.307 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 10.177 -11.385 4.490 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 7.822 22.842 -4.678 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 -1.832 2.735 -10.373 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 8.586 18.665 14.873 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 -12.853 -3.063 -4.508 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 -1.361 7.332 0.938 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 -4.730 -13.060 2.134 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 11.313 4.824 -2.010 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 -4.129 -6.910 -1.006 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 -6.141 -5.665 -4.834 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 10.287 -7.590 -2.648 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 5.901 -3.676 -3.719 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 -21.498 2.767 8.181 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 3.149 4.752 14.258 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 1.129 -2.031 0.662 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 0.396 -6.826 1.277 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 2.839 8.611 -1.624 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 -0.219 -3.921 6.136 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 9.261 -9.974 -6.023 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 7.445 -13.367 -11.027 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 3.375 -6.490 -1.536 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 23.673 -0.873 27.675 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 -15.414 -31.223 -18.023 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 5.149 -6.635 -1.005 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 -8.016 -18.719 21.419 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 1.258 16.639 25.082 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 3.540 1.278 0.246 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 -11.451 12.827 4.896 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 8.947 -14.660 -32.118 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 -2.935 -1.422 6.722 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 -6.051 7.406 -13.304 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 -15.582 8.300 1.040 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 -9.763 -8.878 -6.106 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 3.012 12.391 2.918 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 -2.988 1.980 10.090 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 -1.726 5.422 0.753 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 -41.222 5.482 -6.661 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 19.986 8.387 2.287 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 4.083 4.534 0.632 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 0.430 -24.325 16.648 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 7.498 13.526 -11.519 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 1.971 2.974 8.355 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 4.657 3.889 2.542 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 4.078 25.160 -16.356 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 4.176 -8.356 -0.840 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 9.455 -11.214 -4.073 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 11.373 -14.203 -5.265 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 4.511 -1.395 0.920 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 9.961 15.246 -11.337 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 7.335 -14.366 -19.554 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 -4.266 -1.642 -5.056 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 0.185 14.691 0.526 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 -17.095 -5.295 -7.150 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 3.847 1.231 0.527 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 1.985 2.008 10.844 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 20.887 -19.070 5.807 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 0.779 1.017 -3.819 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 -1.012 1.332 8.341 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 8.176 -4.881 -2.764 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 -0.511 2.879 0.133 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 0.336 14.427 -11.282 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 -3.388 -4.640 5.409 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 5.063 -2.521 -7.607 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 5.078 -7.545 -11.892 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 9.282 -8.643 -4.896 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 2.835 1.341 0.105 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 0.581 -1.376 5.263 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 -0.370 -1.815 -5.096 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 -1.098 -6.875 -4.635 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 -18.026 -14.521 -9.874 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 -1.901 -11.925 3.399 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 6.622 -3.210 -7.267 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 7.564 -4.276 16.310 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 7.988 -21.069 -9.693 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 2.588 3.554 3.191 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 20.764 9.532 -11.817 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 -13.890 0.407 -0.121 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 2.295 2.149 -2.849 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 2.608 1.335 -3.005 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 -2.314 12.773 7.323 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 1.845 -0.187 0.586 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 -1.330 1.969 3.577 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 21.697 0.465 -20.769 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 4.145 -3.112 1.684 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 18.986 8.666 -3.110 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 -13.622 16.184 -3.148 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 4.859 3.849 -0.511 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 25.262 11.188 15.102 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 -10.652 -5.892 -12.533 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 -5.140 -4.305 0.641 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 2.330 4.080 1.933 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 -21.570 8.155 -14.898 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 2.634 2.624 3.293 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 -3.598 13.647 -8.670 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 10.046 5.706 2.863 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 -3.152 -0.012 -1.107 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 -20.410 12.078 -12.580 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 -11.062 0.353 14.317 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 -3.457 -4.210 -1.617 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 29.255 -27.055 -17.920 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 -5.135 -20.056 2.444 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 1.748 0.773 -9.277 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 -10.926 7.055 -2.475 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 0.116 -6.880 -6.304 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 10.309 -3.819 -8.022 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 16.890 8.112 -4.160 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 -3.174 -13.414 -5.614 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 5.668 2.519 1.022 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 -5.942 5.486 3.122 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 -3.332 -0.186 -23.900 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 -1.760 -1.191 2.724 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 1.066 4.006 19.462 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 -7.266 18.589 -10.693 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 4.545 0.354 2.866 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 4.288 2.988 4.988 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 2.329 -7.798 -6.719 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 4.822 -3.613 0.522 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 4.702 -2.366 4.421 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 5.921 -4.164 -3.954 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 0.891 4.806 -4.058 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 -19.274 17.795 9.180 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 -10.614 9.408 15.732 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 -5.706 5.248 1.915 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 5.291 -2.109 10.643 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 -26.035 14.467 -14.201 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 -1.866 -4.811 -1.815 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 19.385 -0.298 8.874 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 -13.172 0.637 -3.284 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 -0.034 -9.533 1.978 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 24.396 -20.441 -1.072 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 10.400 -14.330 1.605 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 3.608 -1.988 -0.513 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 14.414 12.034 -23.798 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 -4.429 8.778 -1.150 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 3.223 4.528 0.338 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 10.785 10.920 -11.793 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 -4.568 -1.786 -8.396 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 0.017 -3.526 -2.782 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 8.594 10.598 14.868 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 -11.020 -6.568 -25.913 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 0.220 -2.262 -1.803 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 -6.331 -14.733 14.393 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 -1.738 -7.258 -10.721 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 0.087 0.040 6.063 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 -19.223 12.833 -5.143 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 -8.090 6.176 -2.909 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 -0.558 2.737 -0.179 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 5.709 6.249 0.165 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 -0.239 -4.435 -25.091 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 -5.199 1.660 -1.383 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 -2.345 0.545 -14.236 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 -14.414 4.497 9.057 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 1.901 3.111 1.112 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 0.602 -6.312 21.947 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 -0.338 1.969 1.183 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 2.484 2.791 2.364 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 2.948 2.790 6.270 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 10.689 -7.037 4.466 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 3.495 3.231 -0.705 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 -4.115 1.114 13.203 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 -29.715 28.660 -14.971 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 7.377 1.519 6.901 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 6.567 -8.591 5.471 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 6.010 12.913 10.561 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 -4.692 -1.876 1.101 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 -6.852 5.691 -5.489 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 -8.905 12.998 -6.069 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 3.710 3.626 2.297 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 14.723 4.706 1.849 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 5.241 -0.215 5.103 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 -6.622 2.858 3.831 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 -7.659 -3.433 7.594 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 5.617 -6.707 12.767 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 -9.906 8.723 4.592 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 -11.014 9.434 -2.919 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 -5.917 3.406 17.887 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 4.310 -4.131 0.424 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 -4.420 -14.177 12.265 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 22.467 -8.082 -0.791 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 -2.678 -9.656 0.322 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 -3.282 -14.385 4.779 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 -3.541 -8.119 -1.204 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 0.195 -5.064 -0.604 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 -2.106 -2.336 -9.932 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 11.790 -6.507 12.403 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 13.301 2.699 2.610 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 16.461 23.052 13.513 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 -9.255 5.982 -8.290 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 6.136 -6.086 3.184 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 3.547 -5.182 7.687 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 2.984 -1.612 -2.901 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 4.060 -2.931 6.375 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 4.662 -3.016 7.450 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 23.162 5.373 12.558 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 -0.457 2.191 0.529 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 -8.232 6.246 10.359 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 -9.929 7.461 12.097 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 -5.399 3.285 -0.076 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 -1.770 11.307 7.290 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 -10.250 2.682 -4.544 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 -3.990 -2.208 -4.670 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 -2.045 -1.760 -3.284 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 -2.284 -6.179 -1.689 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 5.063 1.628 -1.911 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 -17.779 -8.455 9.764 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 10.854 1.973 -7.094 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 1.677 -4.245 0.639 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 -6.250 -26.366 -9.552 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 9.095 16.147 16.627 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 1.969 -0.158 -5.948 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 1.686 -5.348 -21.248 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 1.609 2.507 7.296 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 -8.007 -2.977 -5.082 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 9.854 9.902 -1.715 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 3.593 2.131 3.760 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 -0.559 3.892 0.500 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 30.236 4.136 12.865 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 4.453 -0.936 -1.402 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 4.264 -1.144 3.470 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 4.551 -2.868 5.073 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 4.106 22.436 -5.722 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 -2.425 1.023 1.424 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 -0.392 -9.772 -10.618 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 11.288 -1.073 11.387 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 -0.234 1.898 0.779 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 -3.858 5.337 -9.069 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 3.638 10.777 -24.568 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 0.289 3.389 0.935 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 3.169 -5.889 -14.159 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 0.684 8.185 3.932 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 6.521 -0.636 -0.213 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 8.116 20.977 6.587 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 -20.094 -39.391 -0.591 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 3.544 -2.251 -1.106 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 -14.885 5.685 3.420 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 15.076 14.095 -5.715 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 -3.779 0.232 3.588 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 -2.799 -13.685 25.699 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 -3.978 1.189 1.709 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 2.080 -8.199 1.252 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 -4.216 -0.091 5.016 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 0.902 -13.371 6.043 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 3.601 0.373 -2.767 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 -0.623 -26.748 -5.313 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 -16.366 3.021 -2.341 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 -2.373 0.575 5.027 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 -21.578 -15.110 7.503 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 -37.200 8.196 19.496 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 -0.727 -7.143 -6.307 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 -15.762 -10.410 0.647 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 -8.955 -9.804 -1.180 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 0.777 4.485 -0.987 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 18.623 12.172 -14.142 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 17.824 -5.138 12.711 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 -1.256 8.267 3.479 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 -0.797 30.658 4.673 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 -9.710 -15.050 6.291 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 -3.784 3.080 -0.370 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 0.051 16.524 13.930 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 -2.730 -8.549 -11.042 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 -3.506 -0.482 -0.257 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 -1.065 14.384 -2.487 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 -3.785 30.924 -6.002 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 2.135 -8.414 -1.442 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 -10.326 -7.957 13.134 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 -3.711 -10.939 9.900 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 -4.606 -1.550 -2.190 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 -1.878 -5.909 -13.640 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 11.586 15.533 1.341 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 1.182 -0.218 2.158 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 24.729 -7.059 -10.715 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 -3.767 9.527 3.076 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 5.956 4.236 4.444 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 1.583 7.245 -9.171 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 16.207 10.735 -8.013 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 7.081 -1.923 -2.378 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 -10.723 -23.558 -18.333 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 4.863 -7.395 -10.673 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 -2.011 -2.632 -1.040 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 -9.235 -25.364 -1.106 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 17.070 5.315 -26.421 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 -1.180 -0.120 5.103 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 -0.703 -7.067 10.760 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 -5.631 -18.688 31.250 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 4.700 0.752 3.762 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 -2.963 1.680 5.626 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 -27.319 -7.578 9.325 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 2.594 3.356 2.229 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 18.700 16.286 8.448 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 -7.440 -3.009 2.258 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 -4.625 -0.405 -9.803 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 0.613 -9.580 2.758 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 -0.944 -8.439 -9.529 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 -2.919 -1.116 -0.830 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 5.252 -4.618 1.094 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 -15.890 12.212 6.767 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 4.269 4.168 -0.215 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 8.354 21.028 10.188 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 13.997 -2.054 0.576 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 -6.854 -1.121 7.367 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 -12.716 4.578 10.513 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 -9.229 2.633 17.040 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 -3.975 -1.687 0.571 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 30.144 1.099 6.294 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 -7.968 10.002 -32.775 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 -5.515 0.844 -7.734 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 3.795 5.335 15.256 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 1.673 -27.222 -8.837 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 3.866 -0.151 -4.570 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 23.410 -19.299 4.365 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 -5.301 8.967 -8.569 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 -3.914 -5.515 -4.371 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 -11.016 -10.025 -5.097 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 16.185 3.999 4.356 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 -6.349 -2.100 4.733 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 -7.776 -1.784 5.655 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 -2.019 4.112 5.293 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 4.632 5.275 -0.520 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 6.190 -1.870 7.078 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 2.727 8.020 -1.568 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 3.799 2.235 2.067 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 -20.516 -11.100 9.416 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 5.728 -21.311 8.336 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 -0.429 -4.238 1.060 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 -5.409 18.343 10.194 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 19.041 -11.982 5.455 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 -2.536 4.117 1.420 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 -22.985 16.585 3.101 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 5.560 8.169 -4.759 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 0.974 1.036 -2.718 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 1.823 -6.112 -0.977 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 8.697 11.827 -9.019 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 8.867 -2.930 -4.302 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 7.203 1.031 31.742 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 20.997 2.302 1.953 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 1.912 2.408 -1.522 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 -11.916 -5.884 -4.890 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 14.729 -2.522 13.689 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 5.437 -7.939 5.095 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 -3.663 11.484 0.355 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 12.857 -16.828 11.671 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 4.519 0.557 9.510 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 -19.351 -3.406 25.182 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 -1.445 0.685 10.233 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 2.338 4.849 -3.361 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 -10.449 1.800 2.103 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 10.393 -17.407 -0.478 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 0.517 0.535 1.715 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 14.010 -4.140 -16.017 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 -6.427 5.661 0.230 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 1.361 -0.035 -2.390 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 -16.398 1.149 -0.298 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 17.493 -20.913 -2.540 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 0.963 0.509 5.575 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 -3.651 4.458 0.818 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 -22.466 16.211 7.894 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 -0.976 -1.693 4.731 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 -9.680 -6.982 14.736 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 -7.835 8.818 -10.287 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 -2.307 -1.252 9.451 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 -13.560 5.552 -3.103 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 -7.728 2.411 4.886 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 -6.635 7.290 -5.442 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 12.330 19.228 -4.901 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 -10.885 -2.099 -2.094 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 -7.596 2.139 2.770 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 8.184 -14.135 -0.333 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 -2.155 -8.812 9.120 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 -6.323 -0.763 -2.496 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 13.783 -1.371 -3.610 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 0.421 -3.599 -5.800 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 -1.620 3.437 -1.175 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 2.389 0.785 -5.173 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 -3.058 -1.446 -4.372 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 -1.710 4.292 -0.893 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 -3.593 10.417 -0.330 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 0.747 0.417 -0.801 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 3.058 0.456 -1.653 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 1.707 2.165 -13.252 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 21.041 -1.519 8.371 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 0.294 0.765 -1.656 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 -11.451 8.268 -15.802 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 2.750 2.454 -3.711 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 2.008 -3.255 2.271 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 16.936 22.813 6.733 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 -3.466 -8.306 2.585 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 -0.943 -1.702 -0.788 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 -0.781 1.636 -3.992 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 27.241 13.037 8.934 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 6.211 3.006 2.094 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 6.668 2.210 2.099 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 4.642 2.689 2.426 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 -5.288 3.415 3.181 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 2.290 2.397 4.414 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 27.611 -1.479 7.285 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 5.516 1.375 4.607 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 -6.440 1.397 -19.168 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 -9.298 18.673 16.898 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 0.065 5.839 -3.525 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 4.503 -1.993 -9.457 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 -1.965 11.369 1.206 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 -3.742 2.176 -3.427 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 4.189 -6.298 -5.976 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 -18.224 14.002 -5.801 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 -3.875 -1.357 -5.813 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 -26.950 -1.826 3.130 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 22.571 0.994 15.447 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 1.777 0.557 -1.255 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 1.018 -1.387 -2.072 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 -0.116 -6.101 -5.017 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 3.684 -3.807 3.177 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 18.314 16.975 -14.622 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 13.852 13.211 -10.166 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 -5.317 2.135 1.682 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 -17.389 3.556 9.062 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 20.436 14.319 19.313 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 -3.251 -4.290 -3.926 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 -4.242 -9.682 1.429 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 -2.857 -2.444 -5.479 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 -2.726 6.540 -2.888 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 17.159 -16.130 -5.334 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 6.136 8.631 6.933 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 4.528 -10.981 -0.508 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 17.275 -7.608 13.229 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 1.046 -14.304 -3.755 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 -2.463 -3.344 2.141 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 -11.696 -6.047 -7.502 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 11.623 -3.606 18.801 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 -3.558 0.087 -2.577 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 1.673 3.574 11.926 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 -5.079 1.232 2.837 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 -7.319 4.174 -5.178 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 -4.025 5.711 -0.116 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 -7.380 4.797 -5.925 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 5.554 -1.336 -5.957 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 -9.134 1.833 -2.361 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 15.171 3.047 -5.529 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 0.524 6.051 -7.641 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 -13.937 -3.500 14.830 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 -6.808 -5.456 14.825 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 -2.863 4.874 -2.165 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 -16.827 5.481 -2.136 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 1.732 -0.931 -0.758 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 -0.035 0.390 -0.579 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 0.637 -8.923 -11.677 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 10.854 -7.384 -6.452 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 5.457 0.543 5.434 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 -10.064 -12.531 6.333 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 21.965 -7.307 12.430 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 4.705 -1.847 -4.806 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 8.941 -5.957 0.101 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 8.339 4.249 -6.599 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 0.799 4.623 5.202 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 2.256 14.438 -0.122 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 5.913 -5.264 4.202 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 -6.735 -1.439 3.703 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 -23.775 8.687 11.485 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 -7.127 -10.670 -7.415 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 -3.303 -3.360 -1.031 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 5.844 -9.969 -7.195 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 -4.751 3.531 21.701 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 1.279 4.154 5.736 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 12.217 7.203 -6.186 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 6.326 -1.304 2.882 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 -1.714 3.175 2.333 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 -2.499 -1.476 -3.320 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 -3.183 -3.919 -1.933 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 1.297 -5.816 0.742 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 -4.064 -44.286 19.463 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 14.228 -23.931 -21.493 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 -3.892 -1.001 -8.641 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 3.022 -10.932 17.995 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 -0.577 -13.405 13.247 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 3.374 -3.202 -6.349 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 -7.694 16.887 13.635 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 4.535 4.552 14.357 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 5.363 1.932 -2.007 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 4.216 5.864 0.309 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 4.405 0.645 -1.752 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 -4.931 4.746 -5.917 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 -27.678 -8.187 0.253 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 -24.587 -6.337 -0.954 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 1.848 1.238 5.528 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 -21.939 11.687 -14.576 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 10.216 -9.986 -13.683 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 -1.956 -2.281 5.798 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 -4.170 12.566 10.711 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 17.075 -17.274 8.640 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 8.859 3.095 2.175 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 6.710 12.339 16.246 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 17.625 0.376 2.949 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 4.891 -2.775 -3.293 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 -5.792 -10.943 -1.592 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 -3.631 -14.844 -3.690 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 -1.017 -0.773 6.420 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 -7.425 9.423 9.715 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 4.756 -1.138 2.555 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 -2.742 -4.637 6.907 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 -3.650 -6.471 -19.840 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 6.477 -0.585 9.168 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 2.396 5.556 -7.797 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 -36.300 -16.696 -5.581 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 3.632 8.628 -13.770 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 0.539 3.208 -0.252 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 0.403 -13.906 -19.985 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 18.672 -10.583 16.168 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 0.197 5.000 2.372 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 -4.851 11.954 11.574 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 -10.847 16.536 19.608 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 0.215 -0.964 7.763 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 -10.166 2.530 -5.977 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 6.635 1.935 -0.238 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 -0.506 -5.035 -0.124 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 16.633 18.511 19.329 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 -0.577 -2.753 11.047 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 1.663 2.337 -0.355 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 6.982 -0.723 2.870 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 -7.547 7.291 -6.849 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 -3.915 1.672 -2.328 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 -26.397 -11.663 -13.931 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 10.992 43.121 0.029 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 -2.401 1.584 2.540 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 3.778 -13.641 -10.828 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 -1.530 -6.087 -13.858 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 1.039 2.900 -3.132 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 -5.858 -10.398 3.072 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 -2.506 -2.620 -0.123 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 -10.263 4.233 -0.235 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 -15.807 6.820 6.481 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 -17.033 2.977 6.675 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 1.388 0.441 0.529 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 -2.060 -4.988 15.180 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 6.921 1.124 -6.012 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 -6.423 -3.266 -2.617 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 -2.855 18.431 -8.755 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 1.353 11.786 -9.263 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 -0.905 0.594 -0.916 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 -0.610 8.163 -2.763 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 -2.646 -4.475 0.377 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 3.703 -3.488 -6.388 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 3.686 -0.440 -6.371 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 -1.785 -6.277 -3.409 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 5.696 -4.043 -3.724 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 -8.696 -1.870 -5.528 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 3.559 11.811 -5.427 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 -0.413 7.183 1.876 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 9.366 0.239 1.408 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 9.684 0.633 7.868 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 2.419 -2.283 1.125 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 3.354 -2.373 -1.738 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 1.106 6.302 19.451 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 -1.054 -1.740 0.144 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 7.253 3.622 -11.657 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 13.208 -11.590 -25.836 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 -5.946 -0.586 -1.541 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 14.284 2.129 9.322 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 6.430 8.967 12.894 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 0.756 2.687 2.027 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 -8.239 0.980 9.071 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 -8.306 14.898 -16.959 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 4.218 0.611 0.307 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 1.260 -3.289 1.633 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 13.302 -3.526 -5.279 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 -3.226 -1.703 -3.356 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 4.240 3.894 -7.847 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 -6.025 3.566 6.158 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 -1.048 10.082 -5.088 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 11.266 0.260 24.690 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 -1.722 17.602 -15.853 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 -0.591 7.931 -2.220 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 -11.698 3.540 -10.410 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 8.532 9.339 -12.373 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 -2.943 -4.805 -2.798 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 -4.551 -3.745 0.954 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 -4.064 -4.019 0.145 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 -2.773 -2.852 7.270 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 27.433 -14.235 13.721 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 -7.383 16.686 2.931 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 2.281 -1.330 -1.665 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 10.634 -5.836 4.177 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 -19.123 7.478 -16.331 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 6.752 -1.523 -0.877 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 31.595 2.381 -5.117 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 -7.328 -3.369 0.979 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 -1.921 -5.345 -3.110 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 -23.153 9.327 -19.326 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 -0.587 -7.681 -4.832 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 0.427 0.464 -0.517 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 8.266 0.859 12.988 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 5.502 -6.136 -4.315 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 5.048 -4.439 -7.058 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 -5.272 -22.201 -7.815 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 5.205 18.481 -5.547 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 3.435 -0.224 4.353 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 -2.817 -3.002 11.094 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 5.942 2.492 -1.370 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 -0.098 1.405 -4.320 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 -0.490 1.037 -5.042 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 4.515 1.753 11.309 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 -2.282 -10.877 -3.930 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 5.954 -10.353 -2.198 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 -3.214 -12.870 -12.148 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 -5.640 -1.240 -3.261 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 5.827 8.182 -21.552 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 -10.060 -3.421 -7.239 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 1.816 -2.337 8.835 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 -19.485 -6.169 -11.311 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 -12.916 23.854 -5.336 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 4.229 6.499 -2.090 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 16.655 1.212 2.342 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 12.269 -48.709 16.970 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 -5.228 -0.384 -4.789 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 -10.082 12.673 -19.040 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 3.337 -22.130 18.443 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 2.631 0.342 1.154 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 -10.028 26.726 -11.003 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 -4.636 15.482 4.543 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 4.761 -2.221 -3.594 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 -0.181 -3.896 -9.601 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 7.880 -1.833 0.050 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 2.049 -2.043 -4.699 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 5.474 0.395 -9.682 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 8.173 -1.848 -4.673 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 -0.643 -6.679 0.305 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 -8.450 19.610 3.365 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 -1.822 -3.471 0.615 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 1.749 8.864 2.290 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 -14.009 -6.538 -21.542 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 20.753 5.644 14.109 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 -0.873 -3.338 3.343 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 3.474 -1.079 -0.456 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 1.742 -3.190 2.450 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 -4.515 0.315 0.301 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 8.755 6.581 0.051 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 1.856 -9.499 20.654 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 3.776 -1.383 1.295 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 14.860 -16.289 -14.783 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 8.728 -10.947 -2.209 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 2.588 3.554 -0.370 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 27.386 17.743 1.345 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 -3.242 -1.177 7.998 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 -4.493 -2.533 -2.331 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 14.024 8.699 5.402 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 0.391 1.571 2.289 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 -0.609 1.777 5.154 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 -10.050 -3.109 0.617 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 13.855 7.245 10.076 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 -3.337 3.336 8.712 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 -2.930 -5.388 -7.379 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 -0.285 13.990 10.474 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 1.503 1.490 -3.838 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 -2.150 4.575 5.745 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 -4.505 4.505 0.066 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 -0.699 -4.096 0.473 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 -5.480 11.016 -0.997 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 -23.930 2.124 -1.959 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 4.962 -2.239 2.303 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 4.744 -29.574 -1.858 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 4.474 -23.751 -2.643 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 0.020 -0.748 -2.901 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 10.025 8.301 -9.712 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 -0.459 1.939 -18.480 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 1.602 -7.014 -4.109 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 3.148 -5.319 -4.210 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 6.312 -0.805 -6.876 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 1.170 -0.579 -0.520 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 9.171 4.929 28.602 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 1.127 -8.564 -1.418 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 6.281 0.921 1.829 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 5.817 -33.755 -18.539 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 20.077 -22.456 -10.784 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 2.545 -2.246 1.153 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 -15.087 -11.533 19.466 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 -7.066 11.914 -23.522 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 -0.620 3.661 0.062 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 8.164 13.325 10.497 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 13.129 9.796 0.392 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 5.081 -0.444 2.723 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 7.433 9.333 7.125 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 -3.124 -1.877 8.917 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 0.495 -2.241 -3.702 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 5.014 -9.932 -8.230 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 -21.388 23.866 3.602 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 5.402 0.990 4.753 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 8.517 -22.131 0.402 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 -4.168 -19.658 3.768 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 2.314 -0.204 4.908 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 13.477 13.852 -11.465 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 14.064 -6.266 -9.943 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 2.635 -1.785 -2.711 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 -5.445 -3.377 -16.346 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 15.099 0.315 -10.123 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 2.620 -7.081 0.871 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 -14.508 12.553 -2.492 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 12.309 0.095 0.181 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 -2.577 -2.786 -0.951 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 -7.985 -11.010 4.144 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 -6.736 -7.202 6.040 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 5.856 3.215 3.145 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 -12.232 11.043 -12.014 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 28.472 -6.083 17.051 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 0.989 0.868 4.271 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 -5.851 7.155 1.667 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 -10.974 20.298 27.387 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 -0.447 -0.711 -5.011 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 -18.785 -16.700 5.748 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 -3.064 -2.198 -16.331 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 -2.844 3.760 2.431 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 -7.071 14.895 10.620 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 9.139 1.753 15.747 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 4.535 4.283 1.276 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 23.155 -9.027 -4.704 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 -28.674 28.532 7.495 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 1.556 -2.975 3.406 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 5.687 -0.033 -6.650 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 -3.915 -1.891 10.012 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 0.915 0.410 -0.073 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 10.253 -0.581 1.910 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 5.198 5.815 -1.043 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 -0.252 -5.621 0.199 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 -5.870 -8.688 3.076 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 14.655 -0.690 -8.947 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 -5.877 -5.363 1.368 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 -5.604 10.501 6.523 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 14.805 -3.503 -7.036 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 -4.755 -0.776 -3.560 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 -4.338 -11.754 -5.068 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 2.309 2.937 3.501 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 -0.433 -0.315 -2.994 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 3.126 -8.849 6.255 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 -3.321 -6.831 8.226 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 -2.075 0.266 -2.325 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 1.725 24.963 25.701 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 8.708 -22.757 -14.518 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 -3.853 1.724 8.150 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 -4.970 3.206 12.795 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 1.507 -2.522 -9.176 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 -3.081 -2.630 -2.349 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 3.530 3.326 8.618 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 24.953 -15.996 -3.457 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 0.850 5.929 -2.160 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 2.204 8.448 -5.581 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 -10.852 -3.539 13.954 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 -3.806 2.232 -7.860 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 -11.948 -1.313 -15.914 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 6.667 -15.162 -3.423 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 5.631 4.562 -1.680 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 1.926 8.811 3.295 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 -12.368 17.545 8.431 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 -0.068 1.786 5.910 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 -8.698 2.135 7.802 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 -3.893 -4.846 15.910 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 -0.148 5.819 -0.609 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 12.453 4.707 -18.328 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 3.772 -7.897 13.867 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 -5.129 2.418 1.099 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 -9.080 -0.215 4.105 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 -0.646 6.675 -6.672 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 1.650 -1.892 -2.917 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 6.873 -8.509 -0.227 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 8.780 8.664 -12.063 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 5.858 4.725 4.985 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 -8.605 -21.284 -7.959 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 34.189 -5.822 15.580 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 -0.537 -2.275 1.640 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 10.588 -2.676 9.668 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 0.366 -19.857 -1.122 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 4.653 -5.773 -4.806 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 15.253 25.473 -26.875 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 -8.400 -10.447 -17.293 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 -2.462 4.604 3.570 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 0.673 7.363 5.480 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 -7.315 5.217 3.863 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 1.318 -1.588 5.985 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 -3.901 -5.032 5.908 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 -3.979 -4.181 34.478 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 -5.624 -4.078 4.529 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 -24.363 12.457 6.104 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 11.920 19.547 6.751 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 -0.295 -4.027 -4.412 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 -7.537 -7.521 1.773 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 7.736 1.996 -12.892 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 1.309 0.348 2.566 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 0.668 3.578 -1.169 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 0.001 -3.146 -0.821 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 0.437 -0.925 1.175 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 -1.670 -11.444 -5.653 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 14.644 12.745 -6.639 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 -6.602 -0.820 -0.106 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 -12.297 0.368 18.703 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 11.713 5.344 0.074 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 4.637 -4.372 -2.771 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 2.808 -6.670 -3.225 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 0.095 -6.995 0.312 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 1.739 2.789 -8.105 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 1.311 -13.405 -5.378 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 1.185 -10.083 -25.620 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 1.348 9.226 2.744 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 -6.346 10.580 3.968 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 12.178 6.868 1.105 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 2.569 -4.982 -0.323 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 -2.291 -21.056 8.814 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 -17.710 13.784 -25.749 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 -4.041 -0.759 -3.504 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 -4.234 14.010 -1.289 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 -3.543 -3.132 3.017 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 -7.381 -1.690 -3.043 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 -1.238 4.364 -3.286 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 -8.666 0.281 5.689 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 -1.709 2.330 3.004 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 6.946 1.767 1.339 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 -7.026 -12.793 -1.295 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 -1.488 4.703 -1.876 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 -17.413 7.007 8.960 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 19.230 -0.834 -0.030 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 5.314 4.106 -0.327 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 -5.506 -9.085 -6.499 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 12.147 11.209 -0.499 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 2.277 5.527 3.692 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 0.904 -17.645 -6.929 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 -4.279 1.968 -17.289 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 0.949 -0.324 2.659 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 -3.339 -2.387 9.370 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 7.655 6.454 -1.875 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 -6.571 1.698 -2.813 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 -13.105 -0.770 -19.249 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 -22.859 -17.913 -0.367 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 -4.015 -0.927 -5.464 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 -17.265 -15.107 -2.682 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 -14.459 16.944 -6.929 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 -0.955 5.953 -3.406 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 3.262 5.354 -4.221 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 -0.667 9.939 -1.807 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 -0.696 3.754 -3.384 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 -10.875 1.147 -8.623 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 12.640 0.592 -19.663 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 4.334 -3.332 -1.827 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 11.730 -2.167 0.691 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 7.984 -14.010 -2.912 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 -0.665 2.714 -0.543 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 -18.260 0.478 -2.062 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 7.746 1.138 0.270 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 0.732 -6.014 0.533 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 -4.912 5.582 -10.757 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 -6.583 4.396 -10.686 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 1.733 1.762 -0.027 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 11.177 1.543 17.944 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 -26.830 -13.655 2.942 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 -1.062 -1.503 5.704 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 -6.663 6.879 18.736 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 0.279 8.177 -0.626 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 -0.342 3.211 -2.273 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 19.503 -4.359 -6.052 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 1.515 19.764 13.824 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 -2.431 4.184 -1.262 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 -5.110 -43.929 5.377 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 -14.110 -4.363 15.821 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 3.279 -2.692 -2.597 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 5.249 0.908 13.463 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 -7.645 -1.182 -16.068 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 -1.270 2.935 -3.307 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 -9.603 14.022 2.077 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 -0.492 -12.801 -0.509 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 6.216 0.849 1.995 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 5.864 -3.939 -3.759 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 6.207 -0.200 1.646 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 -5.099 0.347 2.780 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 4.877 7.589 -7.157 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 8.194 -4.256 11.276 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 -1.738 -1.535 0.677 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 -2.206 -4.704 6.101 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 5.454 -11.584 -3.809 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 7.052 3.754 4.146 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 -2.909 7.286 9.588 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 4.573 -11.210 5.926 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 6.396 1.706 1.540 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 4.023 4.069 0.619 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 8.714 -0.649 2.028 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 -2.010 10.809 -6.773 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 15.777 8.630 6.307 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 -16.147 -2.874 -0.476 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 5.792 1.076 2.073 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 8.637 -3.789 -3.591 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 -16.349 1.188 -2.210 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 -0.809 3.610 3.756 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 21.998 -0.598 5.118 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 -2.419 -14.519 -14.506 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 1.280 -0.685 -2.080 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 1.905 2.013 13.646 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 9.310 -4.688 -7.656 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 7.547 6.883 -3.480 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 -5.086 -4.406 0.386 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 15.742 0.379 -16.733 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 4.383 -2.405 10.523 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 -1.391 1.390 5.176 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 6.112 -4.794 2.147 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 -1.452 2.714 5.024 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 -1.597 2.656 2.242 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 -3.291 0.295 10.489 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 -2.444 -6.920 -4.562 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 -20.350 -22.679 -22.505 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 27.497 -5.024 -21.848 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 0.133 -5.491 3.110 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 18.505 -10.882 -18.746 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 -14.284 21.549 -5.768 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 -2.248 0.539 -8.854 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 -5.185 14.201 -12.583 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 3.212 -24.438 -13.784 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 1.643 -4.229 0.863 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 2.755 -0.444 -0.304 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 0.776 -3.538 1.190 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 0.742 3.240 -2.768 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 7.569 -3.686 -17.231 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 -2.168 6.297 3.266 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 2.003 -2.746 -6.472 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 24.121 -3.412 -18.016 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 7.277 -3.702 -3.882 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 4.643 1.453 2.229 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 12.073 -2.014 19.555 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 7.123 -20.474 2.860 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 4.068 1.519 -3.398 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 27.618 8.145 -25.357 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 9.428 0.450 15.256 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 4.905 1.953 1.429 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 2.693 9.623 10.353 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 0.425 3.258 -5.460 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 7.986 -1.915 -4.280 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 28.365 2.621 -22.506 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 23.175 -10.335 19.520 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 -1.063 2.197 -0.573 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 -14.746 5.777 6.998 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 13.087 -10.598 -12.579 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 0.492 -3.168 1.135 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 -8.263 22.707 11.675 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 -1.578 3.584 1.339 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 -1.324 6.577 -3.078 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 5.053 8.648 -5.444 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 -2.775 7.046 -10.516 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 3.820 -3.332 -6.487 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 4.648 -1.484 -4.835 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 3.308 -12.456 -19.862 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 2.023 1.937 -3.521 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 20.886 -11.075 -6.567 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 3.078 10.817 16.538 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 -0.250 -0.717 -0.372 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 -12.407 -13.375 -4.822 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 7.285 18.331 29.979 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 -1.467 -0.339 -1.514 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 -6.928 2.952 -3.575 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 3.670 -12.539 -31.113 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 -5.021 2.000 0.431 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 -8.603 17.090 11.721 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 12.844 -8.793 8.747 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 0.912 -1.481 -0.309 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 -8.876 -1.280 -2.702 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 8.011 -4.784 -8.368 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 2.608 2.982 -5.811 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 -11.203 -5.526 2.290 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 -2.158 0.812 -11.733 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 -2.040 -0.526 1.857 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 6.874 -3.448 4.853 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 8.021 -12.089 -4.697 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 -0.804 1.197 3.194 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 8.109 -3.034 4.026 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 -12.420 -22.112 9.515 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 3.122 0.450 4.289 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 6.800 8.490 -15.398 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 -28.789 -6.134 -21.232 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 1.138 -0.706 -3.816 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 6.807 7.592 16.414 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 1.273 -20.437 -31.993 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 -3.415 -6.014 0.199 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 -9.680 -14.702 -14.425 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 -2.824 -6.596 -2.383 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 2.580 4.609 -3.289 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 18.306 5.993 8.703 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 0.768 -7.588 7.778 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 8.148 0.988 0.448 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 7.198 17.593 -10.322 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 9.213 12.616 13.120 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 5.522 6.471 1.361 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 16.250 5.577 -1.438 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 6.502 3.302 12.260 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 2.681 5.832 0.997 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 13.827 -16.150 12.984 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 1.014 26.077 -33.478 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 7.648 -5.654 1.283 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 7.029 11.740 -15.041 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 32.589 -13.523 -18.668 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 -3.343 -5.782 -1.609 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 -2.262 -5.175 0.613 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 1.486 -0.299 6.735 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 2.414 -3.273 0.286 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 -2.307 10.099 -5.471 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 11.684 -23.254 1.063 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 2.256 -3.898 -1.507 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 7.558 -6.937 16.142 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 21.038 -28.759 -10.187 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 3.091 3.930 -5.472 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 -11.305 -1.232 19.624 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 -9.150 2.443 0.256 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 5.774 3.420 3.710 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 -5.542 10.335 6.736 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 3.641 7.731 0.475 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 -5.533 -0.642 4.199 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 11.448 -4.616 10.171 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 0.503 -9.969 0.609 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 2.608 -8.302 0.841 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 -3.846 -5.070 4.964 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 2.424 -6.034 -2.554 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 -4.840 2.940 -1.429 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 -10.882 -4.072 -13.048 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 6.449 10.195 -3.364 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 0.981 2.328 -2.865 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 -0.361 7.356 14.297 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 0.755 -0.898 -13.521 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 -3.561 3.036 3.616 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 -20.843 -10.609 -3.225 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 5.471 6.895 13.123 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 1.586 2.143 -0.169 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 -1.266 20.666 12.582 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 -17.249 5.638 -11.513 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 4.694 3.646 -0.029 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 12.527 -0.775 6.370 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 15.304 -4.207 8.731 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 4.670 -5.242 -0.861 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 12.251 0.412 23.542 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 1.573 -22.856 -4.161 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 2.396 -4.846 4.860 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 19.336 -12.690 -4.423 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 12.345 13.637 10.013 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 2.576 -5.335 -6.462 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 -2.940 -21.349 12.582 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 4.860 0.834 -13.724 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 1.010 -2.203 1.312 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 6.733 15.294 -4.414 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 3.208 -3.448 -2.675 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 4.316 4.307 5.831 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 0.454 3.835 11.543 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 -1.366 -15.535 -19.827 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 1.551 1.143 -1.867 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 9.941 -15.359 7.111 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 -7.476 12.565 12.096 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 -8.481 1.555 -5.477 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 24.867 -14.175 3.550 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 6.847 6.430 -14.391 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 -1.662 2.170 -3.228 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 9.829 -8.522 -0.473 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 0.839 -7.517 5.413 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 -2.708 -3.987 -1.205 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 -24.084 -3.429 -5.841 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 4.928 12.544 -14.879 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 7.169 1.625 -2.686 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 5.642 7.800 -3.026 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 6.135 -4.539 1.600 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 -0.023 -3.458 -2.017 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 22.336 -13.788 -1.596 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 -4.169 -8.839 18.316 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 3.438 5.937 -8.092 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 20.618 10.315 -18.295 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 2.375 -14.996 6.277 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 -4.392 3.458 -0.509 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 -13.751 4.260 -15.470 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 -6.148 37.837 -29.647 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 4.976 -1.608 2.934 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 19.158 -9.389 9.506 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 -33.752 8.944 -9.405 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 0.353 -0.223 1.738 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 -7.065 -9.206 -0.084 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 -1.232 21.061 -18.009 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 4.858 -2.315 -0.101 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 15.840 -3.442 4.091 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 5.458 -3.619 3.652 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 -5.778 3.875 0.818 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 -0.193 4.808 -5.833 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 2.940 8.067 -6.503 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 -1.762 2.697 -0.792 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 8.596 7.898 4.948 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 -15.178 1.739 -6.076 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 -5.483 4.095 0.731 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 -0.860 7.217 12.867 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 -10.453 -6.259 -13.615 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 -2.658 0.380 -0.304 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 -4.261 1.915 1.678 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 -1.177 -1.396 -3.673 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 4.905 -0.744 -4.184 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 -1.000 5.173 6.611 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 -2.173 -3.393 -13.535 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 2.005 0.211 3.642 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 0.435 0.359 16.065 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 -2.058 -9.922 -7.712 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 2.299 -0.877 0.510 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 -17.496 9.324 12.158 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 -5.048 -3.864 1.604 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 2.140 2.453 -2.853 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 6.881 8.905 -1.027 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 5.897 -8.755 25.373 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 8.333 4.470 0.141 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 -1.424 -1.749 -23.805 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 15.172 -9.118 -0.939 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 1.766 -2.263 -3.721 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 -11.692 -35.200 -10.314 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 -17.264 17.040 -5.302 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 3.894 -0.784 -3.693 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 -0.981 -3.929 0.840 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 0.467 -8.624 -5.783 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 4.432 2.021 4.441 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 24.168 -14.173 0.823 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 -3.292 18.480 -8.580 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 -1.837 2.504 2.732 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 -15.532 -18.404 -13.303 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 8.754 5.484 13.013 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 3.392 0.516 0.370 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 -8.853 -1.830 -3.860 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 -7.966 4.353 -1.474 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 5.351 1.581 8.572 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 10.959 -18.568 -22.237 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 -23.730 4.152 31.809 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 2.292 5.928 5.283 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 -4.505 -6.855 2.922 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 0.874 5.507 3.213 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 2.282 -0.074 -2.166 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 -11.847 -1.647 -17.273 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 -0.418 -9.616 10.405 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 -9.729 -2.337 -3.309 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 -5.533 17.640 1.005 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 -1.324 21.298 -2.777 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 2.858 0.178 -5.245 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 12.524 8.187 -8.023 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 -8.228 7.347 -12.552 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 -1.037 0.712 5.381 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 2.094 -22.130 16.031 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 15.061 -27.810 6.907 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 -6.352 -0.472 -4.055 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 -14.925 -4.987 2.096 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 3.149 -10.123 -0.208 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 -3.132 -3.617 4.264 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 13.612 -0.951 -27.163 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 0.823 8.348 12.127 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 1.731 -2.216 2.076 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 8.702 11.944 4.443 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 -7.639 -14.580 18.470 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 3.849 2.765 -0.878 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 -2.198 -4.695 -8.428 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 0.295 7.308 1.651 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 0.685 -4.015 1.927 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 31.885 15.895 -14.071 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 0.384 -10.275 1.380 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 4.867 -1.346 0.380 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 3.117 -2.941 -7.438 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 29.499 -3.269 32.304 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 5.389 0.746 -3.691 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 7.294 -4.602 -2.951 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 7.404 -2.743 -3.762 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 -2.808 -4.991 4.402 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 -1.094 -15.772 17.988 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 -16.210 -6.206 13.979 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 -2.052 1.318 2.295 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 21.608 27.479 -13.875 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 -21.446 -18.556 -26.204 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 -3.306 0.243 -2.141 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 -6.085 -6.578 34.705 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 22.107 -22.463 -18.217 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 -1.870 -3.294 -7.849 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 -6.851 -7.694 -9.240 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 11.051 -3.930 -4.097 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 3.555 -3.213 3.295 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 3.015 7.745 -7.732 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 -7.414 -3.934 1.392 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 -0.336 -2.076 3.915 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 -7.626 -11.236 -4.167 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 -7.924 -14.217 17.867 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 -4.048 2.284 -1.452 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 -8.680 12.498 3.497 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 13.944 -11.772 -17.766 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 -1.222 1.869 5.240 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 -7.020 -20.549 16.933 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 1.432 18.466 -5.406 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 3.608 -5.439 2.770 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 -4.311 22.028 -25.537 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 -10.311 -31.974 14.678 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 3.969 2.769 -0.727 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 -4.128 3.678 20.879 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 2.397 8.186 -16.618 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 9.366 1.494 -1.832 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 10.833 -2.666 -15.810 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 12.526 -10.970 4.260 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 -2.161 1.177 3.239 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 -11.805 21.086 8.627 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 -13.694 -1.167 -6.509 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 -1.088 6.895 -6.329 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 17.332 14.314 -2.610 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 10.979 -13.973 -8.444 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 -1.917 4.239 -5.321 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 5.985 6.445 -0.927 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 3.955 10.614 -2.815 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 1.653 -0.740 0.005 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 -9.785 -10.179 -0.668 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 11.337 -6.268 -9.083 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 0.137 3.295 2.798 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 3.003 -2.477 -9.316 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 -1.365 4.616 7.946 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 -4.342 2.444 1.287 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 1.030 -9.566 -5.160 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 27.110 -7.942 0.038 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 3.784 5.691 -0.866 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 -4.743 16.834 -1.399 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 1.376 -3.144 7.932 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 -0.765 -0.959 1.739 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 -4.191 9.811 -1.602 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 -15.536 -3.015 10.724 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 3.228 -2.617 3.551 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 8.675 2.480 4.444 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 0.768 -0.768 -3.354 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 3.583 -0.393 1.409 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 -8.303 -7.157 4.317 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 -4.614 10.306 -5.874 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 3.721 -0.015 1.359 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 9.822 -2.454 -0.297 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 16.688 8.683 10.900 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 5.164 1.913 3.359 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 1.306 15.367 3.904 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 6.248 -5.319 2.870 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 -1.101 -4.133 1.650 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 -15.231 4.993 8.064 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 -24.926 -2.612 -1.739 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 1.845 2.307 -2.227 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 8.148 -5.199 -13.871 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 13.151 9.325 1.267 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 3.821 -4.710 2.400 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 -1.380 2.778 -6.939 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 6.086 -17.004 2.377 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 2.311 -0.263 4.011 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 -0.640 5.238 1.602 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 8.244 5.247 -10.567 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 -3.504 -0.490 3.286 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 4.010 -0.351 3.138 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 -7.775 3.906 -0.147 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 1.798 -0.851 6.647 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 4.299 3.513 4.137 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 3.156 -7.128 -1.929 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 -0.727 -3.993 -3.523 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 3.797 2.097 3.527 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 -1.567 -6.782 -5.572 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 5.496 5.624 -1.095 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 0.717 15.904 -15.307 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 5.425 -11.739 -16.956 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 -5.653 0.836 -1.109 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 6.521 -13.898 27.163 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 -8.953 -1.367 9.979 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 1.253 2.765 6.902 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 -4.135 -17.546 32.623 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 36.984 -0.683 2.824 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 -0.405 -3.249 -4.212 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 -7.899 -5.058 8.006 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 12.873 6.385 -4.796 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 -2.723 2.284 3.247 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 1.823 2.427 -13.010 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 -5.767 -2.011 12.066 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 0.651 1.129 3.101 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 10.977 -24.865 16.676 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 -6.133 23.166 4.859 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 -1.468 3.223 6.556 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 2.446 5.518 12.875 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 -1.381 4.305 8.321 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 -3.421 4.402 1.245 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 0.136 11.327 -1.384 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 -8.932 9.886 7.571 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 1.059 -3.918 1.795 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 -15.179 9.627 -32.147 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 -24.076 -30.084 15.421 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 -4.285 -3.680 -4.311 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 -6.360 -2.344 0.130 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 -7.975 -6.759 -5.813 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 10.711 -4.356 1.861 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 2.520 -2.826 5.503 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 5.801 -3.950 5.331 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 6.790 -9.967 7.323 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 -6.873 -7.784 13.689 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 15.959 -0.173 20.875 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 -5.651 2.059 12.199 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 -16.609 -13.727 4.720 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 -16.483 24.233 -7.329 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 0.773 1.086 -6.166 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 7.005 3.484 -1.311 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 8.456 -3.149 -14.890 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 1.791 -0.208 -0.743 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 7.179 -13.127 -4.098 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 -2.258 5.913 2.683 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 -1.223 9.036 0.413 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 0.527 -0.366 -7.518 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 -2.914 7.816 3.654 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 1.221 1.764 -5.052 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 -3.658 -0.710 -7.873 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 1.305 12.613 -9.738 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 4.496 0.733 0.871 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 6.619 9.450 3.595 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 3.679 -2.388 -2.201 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 -1.722 -4.157 -6.955 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 18.274 -14.028 0.507 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 11.898 -10.720 -1.571 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 4.236 2.713 0.674 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 3.468 1.736 -2.534 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 6.633 1.474 4.077 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 -1.765 3.179 -2.489 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 -4.548 10.191 2.091 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 -8.994 -1.902 -4.052 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 -7.459 -11.224 0.886 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 9.932 -3.544 0.715 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 10.197 2.435 1.455 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 1.797 -3.314 -5.435 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 -1.837 23.808 24.591 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 5.749 4.010 18.967 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 -5.198 1.549 -1.524 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 6.352 4.730 -6.801 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 -9.170 -10.520 -7.138 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 -0.457 0.730 1.598 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 15.727 1.460 6.981 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 2.074 -0.558 -3.748 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 1.936 -3.424 -2.619 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 -5.283 -1.915 3.814 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 1.016 -5.164 -18.487 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 2.567 -0.209 0.632 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 14.443 -19.371 17.287 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 -46.408 -2.350 -0.339 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 1.379 1.842 0.181 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 6.830 -6.391 11.557 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 -15.486 8.675 7.812 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 2.642 2.585 -1.615 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 9.131 0.479 2.192 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 1.723 -2.793 0.225 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 -5.427 -7.870 -7.741 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 -2.602 -5.403 3.662 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 7.241 -9.484 6.843 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 -2.743 3.498 -2.119 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 -9.885 2.925 -5.820 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 -0.073 -5.857 2.312 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 1.455 -1.149 4.407 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 6.399 19.735 11.908 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 -2.697 18.842 1.567 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 -2.638 -2.884 -0.196 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 7.012 -15.205 -18.923 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 11.148 29.697 10.354 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 -8.617 4.028 -2.158 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 11.880 12.914 -27.970 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 1.414 8.410 -11.789 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 -4.152 0.037 1.562 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 -0.689 -23.592 14.209 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 18.504 13.207 -1.346 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 0.009 0.650 0.409 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 2.125 -0.364 30.459 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 -7.443 2.930 -6.073 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 7.920 0.184 6.648 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 -15.529 9.987 19.430 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 7.705 20.323 -12.809 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 6.094 -5.927 5.703 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 -1.188 -11.472 3.046 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 -12.257 -14.256 -8.733 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 1.015 -4.336 0.043 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 23.545 -13.941 6.978 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 -4.856 17.079 34.887 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 -3.348 -4.653 -1.863 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 2.980 0.294 -4.302 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 2.771 1.400 6.117 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 -5.390 2.963 6.327 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 -13.990 12.518 -1.972 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 12.535 -10.230 6.064 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 2.086 4.381 -7.462 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 -16.398 -3.017 4.792 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 -4.813 4.582 3.460 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 -3.831 -3.818 -5.499 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 -13.669 -4.869 -17.914 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 -31.477 0.757 -18.076 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 2.471 -2.789 6.357 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 10.087 -3.179 3.778 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 -18.153 -1.374 20.320 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 -1.286 -0.586 -1.553 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 5.984 6.071 -1.356 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 9.831 -7.394 7.734 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 2.131 -1.880 -5.399 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 -2.621 -9.070 2.113 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 -1.149 16.050 -10.444 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 -2.577 -6.476 5.244 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 10.463 23.131 -12.289 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 4.163 11.068 24.512 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 2.573 3.615 -7.090 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 -10.080 -13.041 1.329 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 -6.404 15.653 6.729 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 5.084 -3.736 -5.699 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 6.274 -6.401 -5.154 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 5.816 -5.711 -7.391 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 -0.512 15.529 -6.209 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 10.951 23.767 -8.813 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 5.244 2.249 -2.930 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 3.231 3.409 -3.869 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 1.062 -6.886 13.529 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 -10.020 9.369 10.394 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 -6.308 -1.478 -3.080 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 -14.832 -13.432 -8.128 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 3.606 4.651 2.162 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 3.635 -1.460 0.734 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 1.037 -3.054 2.875 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 -7.933 -6.649 0.327 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 -0.469 0.372 3.305 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 1.200 1.724 12.809 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 -12.742 8.472 7.000 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 5.307 -1.028 -1.433 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 29.271 -19.636 -26.984 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 6.137 -4.417 -2.745 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 -6.403 0.183 0.912 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 18.523 -5.098 -14.235 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 -15.301 28.411 2.654 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 5.697 -1.161 2.630 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 4.748 9.497 24.168 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 1.130 -16.606 -4.358 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 -6.449 -1.538 -5.865 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 3.247 -6.150 -0.582 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 -18.751 -7.651 20.851 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 -2.854 -0.667 0.086 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 -1.884 10.817 -10.414 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 7.472 8.697 0.014 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 -2.610 3.807 -1.105 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 -27.256 -0.471 5.827 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 5.693 -25.416 -0.533 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 -2.940 1.697 2.391 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 3.791 -3.914 3.505 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 0.713 6.265 -5.449 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 4.852 -1.269 -1.310 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 1.685 9.511 1.221 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 -1.712 -8.315 2.223 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 0.785 -1.482 1.352 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 18.047 7.783 -9.630 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 -2.331 0.070 0.728 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 4.521 -0.104 0.874 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 -14.454 8.547 -24.971 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 8.528 -7.477 0.749 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 -0.052 7.102 -4.044 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 -17.063 -1.283 14.994 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 2.622 7.048 -35.808 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 -2.597 -1.740 4.540 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 3.194 -6.103 -12.598 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 6.220 -11.994 -8.627 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 -0.695 -4.065 2.448 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 -5.991 -16.858 10.124 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 3.212 12.800 -8.968 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 -0.327 2.862 -0.446 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 4.540 -2.193 -2.990 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 -1.046 5.356 0.619 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 4.426 -3.569 2.478 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 -0.602 -7.517 4.752 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 8.965 -7.639 -0.247 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 -1.941 0.442 -3.813 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 1.452 -5.518 -1.188 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 -6.991 -5.327 14.665 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 4.363 -3.272 -1.670 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 8.711 -10.117 -17.884 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 3.137 1.269 -5.914 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 0.676 0.811 1.214 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 -30.390 4.673 26.305 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 12.134 -0.121 -7.607 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 -2.647 -0.515 1.636 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 -7.244 -6.552 5.074 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 -8.352 5.253 -0.942 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 1.251 -0.007 -3.341 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 -3.121 7.512 18.457 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 -1.712 -20.840 6.956 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 -6.629 -2.088 -4.250 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 -12.069 -8.850 -14.704 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 -14.973 -7.130 -20.576 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 -1.847 6.841 4.449 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 -2.875 6.360 3.751 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 -2.232 8.943 0.604 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 0.961 1.594 -0.404 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 0.805 0.005 -9.740 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 3.445 1.272 10.318 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 -0.397 -4.534 4.804 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 -22.870 17.860 5.985 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 -4.847 0.311 -1.633 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 -2.939 -0.584 2.338 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 4.504 0.740 0.123 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 -0.038 -3.787 10.570 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 2.098 1.078 1.916 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 34.453 -5.198 -2.102 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 -31.375 -5.386 35.815 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 7.191 -1.721 -2.778 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 8.187 28.673 -1.837 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 7.172 -20.352 10.778 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 1.774 7.686 -2.329 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 -10.113 4.409 20.199 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 6.166 -14.364 -17.177 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 2.379 -2.043 0.811 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 6.057 -9.785 -17.622 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 18.844 9.162 0.927 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 -2.396 -4.244 -5.877 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 2.293 -17.746 1.473 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 2.070 -9.110 -21.341 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 3.311 1.517 2.332 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 -5.206 9.130 -14.196 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 8.736 12.673 -19.444 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 -0.913 3.439 1.081 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 2.096 -6.780 3.588 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 -5.375 -11.434 3.311 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 -2.791 1.614 1.666 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 6.576 11.494 9.426 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 2.180 12.694 11.388 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 0.165 1.618 0.786 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 -0.957 7.705 15.116 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 21.898 2.798 22.422 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 -8.627 -1.055 0.528 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 -2.353 14.523 4.680 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 3.016 7.517 -0.023 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 -4.183 0.965 -3.394 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 2.688 4.323 0.763 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 -34.965 7.350 -32.255 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 2.429 0.034 1.355 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 1.109 -0.826 6.351 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 3.602 -9.296 -10.658 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 -7.437 -1.042 -3.064 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 -0.815 -7.781 -14.537 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 -14.166 9.953 4.194 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 4.692 -5.083 7.135 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 -5.845 3.092 8.844 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 16.275 -5.142 5.658 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 5.494 -1.878 5.490 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 -3.472 12.489 2.387 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 7.141 1.223 22.532 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 4.971 -2.936 -1.126 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 1.029 -7.358 -4.465 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 -2.180 12.619 8.041 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 -1.008 0.477 -0.008 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 -13.638 12.731 -6.592 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 14.117 8.685 8.771 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 -2.710 1.270 -2.628 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 -11.953 -25.759 -7.590 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 12.299 45.525 5.229 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 1.844 -0.949 -1.391 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 6.188 -5.450 -16.054 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 -14.158 -9.336 -19.203 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 8.135 -0.658 0.964 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 -7.959 0.705 -2.187 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 -17.495 -0.737 -1.316 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 -3.961 -0.961 -2.190 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 -6.311 -7.190 -3.939 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 -10.884 12.206 -9.067 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 -1.350 2.870 0.505 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 9.911 15.795 4.893 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 11.546 17.231 -0.207 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 -0.556 -2.665 5.065 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 8.069 -2.636 -12.826 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 -5.983 -4.673 5.587 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 0.523 1.957 -1.932 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 -2.462 2.176 9.545 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 3.488 1.410 -5.567 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 -5.626 2.006 0.359 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 9.400 6.856 3.483 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 6.121 -7.369 -14.908 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 -1.717 2.184 -1.528 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 -7.895 3.638 -10.101 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 -8.797 -6.233 -7.136 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 8.631 5.175 1.897 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 -1.825 5.358 17.427 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 11.991 15.251 -8.356 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 -3.742 9.342 5.558 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 3.789 -3.899 -1.766 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 5.407 2.045 -4.759 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 -0.701 -2.811 -1.984 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 2.328 -11.856 -8.966 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 -13.452 -1.700 4.018 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 -3.503 -2.114 -1.947 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 -1.903 -10.091 17.500 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 4.127 -11.273 11.122 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 1.754 2.259 -5.657 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 -10.992 -11.123 -14.669 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 -5.203 -0.836 -3.925 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 2.283 0.860 -0.908 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 18.792 16.736 5.590 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 -26.831 21.356 10.105 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 -1.715 -8.297 3.202 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 11.174 2.596 25.264 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 -38.427 21.021 -10.203 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 -2.069 -0.148 -1.134 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 11.641 -4.773 9.385 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 11.412 -9.239 -6.105 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 -1.690 -3.832 0.595 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 -2.872 -16.103 -10.834 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 -1.392 -1.444 -13.254 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 -4.393 -0.365 8.377 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 -13.867 3.128 -1.890 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 -37.893 10.489 -14.373 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 -0.050 3.222 -0.779 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 -7.076 1.030 8.836 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 -3.697 4.441 -8.142 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 -9.346 1.790 4.231 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 17.951 -2.306 -20.200 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 1.582 -10.170 20.696 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 5.839 3.524 1.043 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 5.007 0.878 -0.688 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 6.171 0.385 5.525 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 -2.762 -2.203 -5.343 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 7.852 -3.372 -2.643 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 -27.321 2.309 1.205 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 0.778 -0.397 -1.971 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 -15.945 -14.112 -5.283 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 -0.248 -29.059 6.349 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 7.512 -5.170 2.773 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 12.761 20.463 -2.333 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 25.999 -2.036 0.674 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 -6.004 -0.966 -1.437 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 -11.725 2.943 1.216 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 -1.692 -12.281 -2.978 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 -0.618 0.322 2.674 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 0.014 -4.596 2.269 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 -2.631 2.549 -2.325 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 2.379 -2.194 -1.028 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 15.717 20.953 19.561 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 7.940 5.811 -32.213 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 7.622 -5.598 -1.952 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 7.172 6.914 14.756 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 7.267 -8.413 -8.009 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 1.550 -0.865 -1.774 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 -4.311 -6.720 1.396 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 2.952 0.849 -2.483 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 -0.157 -3.127 -6.177 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 16.942 -10.796 0.824 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 22.759 10.027 4.646 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 1.526 0.926 1.312 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 7.617 -4.316 1.106 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 -10.016 -1.401 1.400 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 3.537 3.267 2.368 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 -8.822 -1.853 7.167 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 5.429 15.641 8.833 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 -4.995 -2.878 -0.308 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 1.342 14.509 -17.791 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 -22.778 9.407 9.093 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 -1.911 -0.608 -1.580 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 -10.742 12.282 8.034 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 8.675 10.450 0.162 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 -0.797 -1.728 -14.003 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 -0.727 -2.708 -6.982 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 -9.381 10.754 3.613 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 1.812 -6.030 1.010 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 -12.336 2.087 5.154 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 2.763 -18.994 -6.894 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 3.323 -2.220 -3.957 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 6.550 -13.277 -1.815 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 8.538 -16.956 -2.381 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 -6.689 -0.205 5.212 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 0.574 -0.823 -2.326 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 -12.015 5.944 -4.338 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 -3.917 1.623 -1.016 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 -7.660 -10.123 -9.787 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 1.797 19.392 17.298 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 4.378 -1.265 -7.148 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 3.572 -15.287 5.629 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 3.995 32.653 14.390 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 -0.416 -9.014 1.917 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 -2.712 -21.801 -4.610 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 12.124 -5.253 5.441 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 2.361 1.336 4.461 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 1.566 28.920 7.938 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 -32.289 0.907 -3.007 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 -0.937 3.508 -3.376 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 -2.439 9.456 -5.173 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 -8.536 -24.582 -8.188 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 2.087 -3.939 0.491 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 4.989 -3.743 16.526 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 2.358 -15.425 -4.318 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 -6.308 2.269 -0.548 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 9.180 -0.516 -3.663 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 15.943 -1.416 -5.060 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 4.898 -10.094 -2.341 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 12.044 -9.847 3.715 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 2.526 18.026 1.803 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 -4.320 7.672 0.127 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 -4.614 -4.186 5.943 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 -10.574 16.804 7.860 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 3.090 -12.061 5.590 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 -5.512 -4.086 1.709 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 13.008 -6.371 2.856 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 -0.995 2.896 0.277 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 19.050 3.687 1.436 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 -18.222 11.671 -32.527 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 4.559 -2.886 2.546 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 7.208 -22.305 9.199 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 8.414 -11.473 5.959 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 2.248 -3.455 6.962 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 -10.220 -10.708 -16.756 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 -3.380 -6.730 10.002 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 -1.245 2.215 -4.366 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 -1.895 6.591 -21.434 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 8.023 1.462 17.881 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 3.398 -4.177 0.353 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 13.201 -2.531 -5.933 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 12.851 -21.343 27.368 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 3.738 -0.169 -4.003 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 -3.368 0.816 -14.699 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 -21.587 -7.990 -2.472 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 -0.012 6.033 1.504 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 -20.114 11.946 -6.798 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 -6.348 2.169 1.477 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 2.565 -2.025 -0.645 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 0.269 -3.246 -5.336 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 -7.854 -6.832 7.475 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 -0.170 -2.243 -0.999 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 2.255 7.422 -3.915 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 -5.544 -9.824 11.079 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 -1.343 -1.924 2.698 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 -0.621 -2.444 5.188 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 0.212 1.573 -9.725 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 2.431 -3.298 -2.161 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 -25.557 17.027 0.389 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 10.894 -6.473 2.187 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 2.411 -1.817 -1.796 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 18.013 -5.268 -12.791 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 -7.201 -13.426 -15.316 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 -1.034 -1.920 -4.707 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 24.556 19.994 10.208 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 -11.372 -14.419 4.599 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 -2.154 0.940 5.916 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 -5.437 7.734 -19.613 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 -6.785 -2.948 4.942 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 10.915 3.303 -1.788 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 6.276 13.338 -7.907 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 15.075 -3.069 14.965 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 -1.743 3.961 -8.052 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 -9.186 2.950 -2.151 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 5.298 2.332 -2.513 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 2.631 5.191 -8.694 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 3.358 5.471 -7.411 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 0.782 1.411 -12.061 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 -1.035 -2.542 7.556 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 0.752 0.610 1.013 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 -5.906 -4.763 10.545 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 -1.510 -2.164 1.102 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 3.245 5.040 -10.554 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 -16.834 -9.609 33.828 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 5.738 -5.918 2.010 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 10.511 -3.111 1.732 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 -1.892 -0.905 3.841 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 9.329 0.047 -5.669 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 1.723 -18.494 -9.606 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 -13.805 9.154 1.761 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 -2.170 0.336 -3.093 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 8.671 -4.226 0.803 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 -2.081 -0.634 5.607 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 0.591 1.151 2.371 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 -4.674 6.218 3.149 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 -6.934 -21.563 -0.211 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 -0.031 -5.122 1.752 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 2.197 -3.002 11.790 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 13.522 -7.535 -3.228 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 -0.256 -1.273 -5.810 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 16.835 8.901 -21.415 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 -6.635 6.189 -5.535 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 3.637 1.494 -0.091 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 -13.353 10.898 -8.113 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 2.326 11.514 1.061 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 0.689 -9.202 6.818 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 -0.200 -3.701 4.201 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 -0.252 10.964 -3.754 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 -5.983 -0.952 4.435 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 14.173 -15.675 4.278 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 20.021 -19.731 4.291 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 -5.486 -2.582 -4.268 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 7.505 -0.646 -25.898 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 3.505 -19.751 9.965 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 -2.315 -2.794 -0.948 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 14.987 2.653 -5.935 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 -17.627 -21.347 6.930 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 -0.080 -1.534 -0.510 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 10.471 -1.622 12.949 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 -16.691 -6.694 9.576 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 6.956 0.406 -3.655 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 14.785 5.843 -0.909 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 10.420 16.657 -1.309 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 -1.725 -2.736 -5.436 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 -9.787 -3.237 -3.932 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 0.096 4.099 -11.004 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 -3.680 7.006 1.686 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 -4.218 8.661 -0.957 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 2.631 -5.172 24.226 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 2.574 -1.298 -7.130 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 -13.148 -6.326 23.217 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 16.874 -11.251 -18.898 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 7.177 2.780 3.321 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 6.070 12.552 0.014 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 2.186 4.871 -11.549 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 -0.271 -3.121 -5.147 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 5.277 -2.109 -3.949 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 14.394 -2.321 -22.853 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 1.221 -1.224 -1.259 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 -1.471 11.728 -22.178 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 -2.961 -5.750 5.861 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 1.492 -0.506 0.882 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 22.994 -16.260 9.160 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 -3.227 2.715 -0.717 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 3.358 0.336 1.405 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 -3.870 7.947 -6.294 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 3.299 7.020 7.493 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 -3.854 5.749 0.757 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 0.693 27.621 -4.219 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 1.085 22.322 -3.805 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 5.560 -4.545 1.011 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 11.466 -17.514 1.697 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 -2.701 13.630 1.614 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 -0.708 -4.213 -3.810 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 -1.889 4.359 -2.285 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 -5.415 37.151 9.678 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 7.358 1.487 1.619 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 15.151 10.980 -12.553 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 -14.365 3.930 -8.129 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 -2.248 -4.821 4.162 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 -5.539 -14.752 14.318 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 15.359 -0.143 30.786 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 6.139 6.366 -0.501 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 -0.333 2.124 -10.520 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 18.690 0.927 -2.417 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 -1.173 1.064 -2.160 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 -14.685 -1.448 -0.303 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 0.512 -0.898 -13.027 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 2.772 2.715 6.085 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 -14.448 21.656 -18.022 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 16.579 -8.829 -9.574 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 2.125 6.180 -5.716 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 -3.256 22.844 3.887 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 13.179 -4.530 -10.069 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 2.171 -4.765 -3.532 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 12.158 7.253 10.727 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 4.205 -15.200 -0.403 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 -2.202 -0.418 3.001 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 -17.979 6.946 -8.255 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 -7.913 5.214 -0.941 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 -5.089 -0.704 -1.779 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 -3.135 16.328 -3.838 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 8.814 -10.066 4.150 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 -0.050 4.130 3.594 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 -5.345 1.416 -6.201 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 11.629 2.841 5.404 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 -3.029 -3.821 -0.831 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 -8.129 -8.981 12.373 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 -26.780 35.267 6.729 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 -1.951 6.455 1.345 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 -10.859 8.975 5.253 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 0.561 0.297 2.233 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 1.164 -3.040 -2.443 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 6.392 -5.905 -4.544 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 -0.653 16.035 2.794 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 0.400 1.790 2.749 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 2.594 -3.591 12.266 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 -2.022 -0.649 3.534 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 9.000 -3.052 7.815 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 8.892 -3.978 9.009 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 11.917 -0.016 14.170 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 -1.939 5.818 -5.172 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 -0.806 -1.169 -2.898 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 -5.118 12.486 3.941 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 -1.775 -0.251 -5.304 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 11.779 -14.474 -0.539 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 -3.323 -6.089 -21.216 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 -2.693 -1.459 -1.740 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 -9.314 -6.723 -1.471 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 -1.800 0.885 -0.584 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 -4.277 0.624 2.295 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 -11.475 -3.329 -1.856 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 12.417 9.070 8.746 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 1.622 -0.151 6.305 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 -13.989 10.911 -9.282 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 1.561 -19.376 6.220 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 -4.737 8.461 1.824 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 19.799 -1.229 1.807 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 -26.914 13.345 5.723 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 0.622 6.816 2.290 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 -13.998 2.096 1.073 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 -24.976 8.062 -6.572 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 -1.381 -0.006 3.527 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 10.088 22.605 -12.336 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 5.597 11.900 -4.052 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 8.063 -3.084 0.584 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 10.908 1.977 -9.769 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 11.757 8.490 -3.943 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 5.690 -1.416 0.314 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 11.333 7.616 -11.924 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 -6.235 3.530 4.772 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 3.857 -1.403 6.065 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 -2.214 7.618 -6.637 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 -10.174 5.840 11.294 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 7.481 4.239 -0.849 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 8.546 -13.526 7.340 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 15.895 2.252 -0.861 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 3.619 0.785 2.698 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 4.660 -5.541 12.172 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 11.964 18.240 -20.010 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 -5.764 3.750 0.296 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 18.772 14.995 -4.045 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 3.058 0.482 8.076 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 1.827 -1.727 -0.577 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 12.060 7.358 7.169 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 -2.602 -3.799 -4.352 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 -9.287 -1.524 -1.531 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 6.475 -8.275 -8.180 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 -9.903 3.441 -7.224 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 0.600 0.449 1.331 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 3.769 8.419 5.300 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 -0.476 -8.861 -2.397 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 -0.350 -0.432 -0.094 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 -11.652 -21.607 -7.667 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 4.443 -7.905 -2.202 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 0.920 -6.082 -3.812 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 2.264 -2.779 -15.168 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 10.537 -35.210 -27.128 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 2.963 3.503 3.234 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 -1.105 -10.555 1.310 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 4.399 0.064 -5.231 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 3.878 0.495 -4.366 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 1.820 -4.300 -12.527 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 3.193 2.564 -0.827 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 -0.704 5.592 3.071 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 19.050 22.311 -4.826 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 -7.743 -22.619 1.604 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 -0.809 -2.194 -5.008 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 -3.657 -0.850 -8.989 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 3.710 11.690 4.698 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 -1.057 2.234 -4.995 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 -8.211 -10.004 -0.754 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 7.246 16.415 -9.334 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 7.174 -4.280 -0.001 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 2.142 1.277 -5.402 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 5.664 -8.134 13.123 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 -1.297 3.739 -10.393 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 22.095 2.455 -5.259 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 0.409 29.505 -10.149 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 -3.642 2.378 2.894 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 -27.759 -10.373 -13.054 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 21.680 2.153 -14.331 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 -2.065 0.184 -4.648 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 -15.136 -7.318 11.420 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 11.752 12.379 -6.958 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 -0.908 -5.557 2.136 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 2.993 16.841 7.221 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 6.001 9.089 -3.520 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 -1.649 6.594 2.724 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 -26.180 -3.896 -31.535 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 6.096 -35.642 -35.591 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 -0.152 3.961 4.620 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 -1.746 -3.973 15.314 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 -12.478 8.464 2.334 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 -3.329 6.107 -3.523 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 -1.397 -14.322 -9.591 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 3.266 -10.637 -8.562 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 -2.034 -1.324 -4.790 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 12.963 -5.409 15.312 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 -4.568 17.430 -18.900 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 1.854 2.916 3.399 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 1.400 -0.402 3.297 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 -4.082 21.498 1.466 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 2.640 2.547 1.724 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 4.099 1.500 4.851 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 5.864 7.648 -11.414 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 3.856 -4.261 1.388 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 -1.230 13.337 -13.892 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 5.386 5.952 -34.913 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 0.816 0.295 3.743 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 12.667 -4.497 0.069 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 -11.465 2.858 14.373 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 -3.137 2.478 -2.784 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 2.122 -31.062 -8.164 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 1.542 -13.216 21.471 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 3.959 -4.184 1.228 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 5.981 14.163 13.539 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 7.636 18.261 15.778 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 0.357 1.393 -5.202 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 -10.340 -14.273 6.556 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 11.134 -7.802 -3.127 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 0.095 0.446 -5.176 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 0.969 1.375 -5.591 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 -27.108 12.107 -20.534 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 1.868 4.496 0.597 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 -4.486 -5.274 8.113 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 -9.181 -9.849 4.577 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 -6.448 -0.995 0.612 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 -6.423 -2.941 2.168 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 -2.181 -0.398 -1.466 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 6.401 2.772 0.542 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 -2.414 1.680 6.101 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 -15.889 6.638 -21.304 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 5.644 0.274 -2.996 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 12.958 -2.330 -9.731 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 2.665 0.722 0.059 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 -2.450 1.136 2.939 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 -2.413 -18.361 8.280 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 -3.150 -12.367 1.903 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 4.110 7.782 2.412 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 3.218 9.190 6.500 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 1.068 6.555 -1.569 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 -3.015 1.090 3.501 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 10.961 8.030 7.978 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 17.008 -18.504 21.636 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 0.507 1.785 1.323 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 5.412 0.197 23.138 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 -5.800 2.993 12.343 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 4.937 -7.232 2.739 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 -7.273 -4.588 -20.716 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 -14.497 -6.396 19.669 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 0.202 3.794 -2.266 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 2.156 4.123 -1.324 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 -0.983 6.063 1.284 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 1.454 -5.137 -4.175 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 14.869 4.995 -17.706 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 6.133 -12.626 -5.507 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 1.284 3.409 -2.293 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 16.919 5.525 5.316 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 2.283 2.589 -0.335 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 1.121 -2.164 -5.877 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 2.548 -16.993 -16.914 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 -0.623 -11.350 10.886 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 3.485 2.234 -3.131 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 6.259 22.715 -2.795 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 -1.040 -33.295 -4.762 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 0.513 5.571 -3.744 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 7.256 7.220 -0.585 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 -1.797 1.759 -1.395 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 4.725 2.581 -1.476 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 17.322 3.448 -16.729 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 -16.228 17.594 31.887 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 -2.097 6.554 0.529 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 -3.474 0.705 3.971 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 -6.665 -7.769 6.567 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 2.069 -0.767 4.964 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 -1.925 4.745 4.136 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 -1.714 5.908 11.016 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 -7.049 -5.319 -3.780 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 8.056 -14.566 4.569 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 1.042 -17.593 13.721 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 -0.382 -1.006 5.050 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 3.435 -6.713 3.393 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 -8.027 -6.038 2.836 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 -1.123 -0.616 6.956 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 -0.744 -2.645 -28.082 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 27.713 -2.493 11.257 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 -5.801 2.706 1.349 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 2.130 5.001 9.320 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 1.396 -6.899 -6.079 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 1.060 -7.799 -1.878 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 2.143 -6.431 0.020 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 4.227 -5.381 -0.105 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 -2.445 -5.334 -0.189 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 13.881 2.174 -8.746 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 2.698 8.648 10.661 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 0.184 -5.015 2.163 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 -0.379 -1.713 11.337 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 1.798 -5.392 -6.157 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 -2.285 0.488 2.046 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 7.141 7.149 1.686 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 -5.725 -0.940 13.176 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 -1.237 -2.068 -0.686 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 -8.994 -4.338 -3.286 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 18.449 11.883 16.061 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 -6.738 -2.851 -6.618 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 -3.348 -24.209 34.321 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 18.933 20.236 -21.133 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 1.276 1.178 -2.783 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 -1.991 -6.038 -17.254 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 0.606 0.041 24.113 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 -8.077 0.608 -3.997 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 -11.938 9.706 -5.815 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 -6.483 -4.457 -0.741 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 -2.605 -2.259 -6.243 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 0.343 -3.733 -9.454 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 -17.047 5.883 5.757 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 -3.378 5.500 -3.566 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 4.388 0.459 -6.565 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 -9.963 -9.700 0.561 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 6.327 -4.553 4.692 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 4.418 3.863 2.108 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 9.408 -5.465 11.858 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 0.240 0.357 4.657 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 -13.653 -3.521 7.717 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 7.130 -13.330 6.192 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 -7.207 -4.257 0.698 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 -13.463 -3.061 10.095 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 6.346 4.179 -4.716 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 -1.784 -0.344 -3.872 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 16.966 -3.891 -15.561 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 20.279 19.676 8.328 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 -6.103 5.027 0.726 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 -24.688 -0.134 -16.060 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 -0.195 -22.106 -16.821 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 0.726 -1.222 -3.443 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 -2.784 -9.205 -9.243 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 -6.751 0.142 3.512 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 6.460 1.923 -3.313 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 6.019 -8.165 -10.369 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 -0.748 9.693 6.307 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 -5.473 -2.818 0.833 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 -8.833 0.745 -12.388 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 1.931 12.589 13.405 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 4.430 -7.359 -2.071 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 0.377 -9.956 -1.091 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 1.466 7.061 -14.885 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 10.584 -0.366 7.263 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 9.857 6.292 8.475 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 19.256 -18.357 15.196 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 1.007 7.799 -1.973 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 -1.696 -14.634 -6.511 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 -7.162 7.053 -6.400 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 -2.832 -0.173 -4.084 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 -7.037 -14.750 -4.398 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 -11.588 15.886 -0.343 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 -2.597 2.974 1.469 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 16.626 -8.993 0.677 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 1.439 31.589 -8.967 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 4.843 -5.438 6.547 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 -1.480 8.644 17.150 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 -11.085 -9.133 0.310 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 0.263 -0.567 -0.073 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 -6.643 15.132 -2.521 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 -10.233 14.757 -10.296 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 -3.847 4.242 0.402 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 -14.995 -8.621 -6.679 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 15.736 28.775 4.756 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 3.201 -4.412 3.486 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 11.526 -11.425 -7.411 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 -8.943 -17.499 3.273 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 -3.738 3.113 -1.989 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 9.608 -1.044 -0.227 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 -9.349 -2.459 22.989 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 0.259 -4.148 0.378 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 1.795 3.517 7.849 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 0.279 -0.912 3.585 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 1.578 0.169 8.143 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 13.152 -13.698 -0.243 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 -27.485 -2.970 4.786 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 -0.579 0.195 -3.818 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 1.544 9.835 -0.492 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 -3.334 -6.923 -7.956 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 0.794 -0.689 -3.491 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 -15.494 6.641 4.076 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 25.121 -20.959 -15.875 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 -5.095 1.604 -9.824 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 -5.496 -17.089 -4.526 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 -5.579 2.867 -16.321 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 -1.096 6.920 1.321 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 -5.716 11.460 -12.382 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 2.353 17.056 -1.673 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 1.271 5.244 2.026 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 -4.743 -1.506 12.356 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 3.906 10.000 -2.532 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 -3.145 -0.077 -1.375 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 6.532 -8.474 -0.031 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 -10.315 -18.705 0.464 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 7.656 4.763 -0.230 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 8.947 17.768 5.095 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 12.930 1.232 2.209 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 -1.036 1.508 0.790 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 8.342 23.296 -8.276 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 -9.552 -0.716 -25.581 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 -3.033 2.947 0.017 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 -9.173 12.988 3.413 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 -4.238 15.685 -2.249 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 -2.756 -4.806 -1.847 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 -3.077 0.483 21.911 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 3.460 -16.647 6.457 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 5.698 -4.348 1.228 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 3.613 -10.794 -4.914 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 10.482 5.888 -5.354 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 -9.758 -1.416 -3.178 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 23.506 7.739 4.755 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 16.426 31.222 -16.334 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 -1.696 -3.257 -2.519 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 6.032 -7.336 -7.473 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 -2.406 15.425 -5.040 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 1.894 7.997 0.229 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 -1.719 34.018 6.745 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 -6.954 -10.191 2.203 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 3.848 1.506 6.560 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 -8.144 -6.675 -7.363 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 4.686 4.548 2.516 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 -3.135 -0.825 3.252 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 -10.099 5.488 13.070 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 8.981 9.407 -3.463 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 -1.834 4.294 1.265 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 19.821 -16.156 2.606 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 -14.463 6.522 -4.224 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 -0.418 0.763 -6.732 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 14.596 17.327 12.405 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 -23.268 -1.580 2.236 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 2.589 3.813 2.230 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 12.294 -10.671 9.261 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 -12.655 18.637 -7.975 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 1.307 2.017 -2.375 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 13.113 -14.347 3.945 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 3.054 5.230 -2.244 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 -6.681 5.090 -3.160 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 7.309 -16.120 12.555 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 17.350 -17.805 10.982 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 0.162 0.442 -2.664 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 0.999 1.295 0.016 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 0.754 -2.130 8.023 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 -2.987 1.358 1.257 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 0.176 -3.565 3.784 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 0.381 -4.507 3.723 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 -4.524 2.872 6.652 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 12.203 10.639 -18.433 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 42.129 -9.953 -4.377 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 4.983 -4.385 4.997 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 -23.569 -21.332 -5.496 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 14.199 -15.973 -5.352 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 -3.923 3.958 1.956 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 2.174 -9.313 19.533 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 -14.113 -20.956 -1.788 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 -1.448 -2.939 2.070 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 5.947 9.418 11.702 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 -4.160 -2.344 8.282 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 5.549 -5.100 0.990 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 19.610 -10.649 -2.510 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 5.178 -3.963 -23.303 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 -5.183 2.066 2.329 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 5.819 0.161 17.221 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 -0.133 -3.370 -0.351 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 2.536 -0.121 -6.736 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 3.757 -10.589 -7.773 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 1.061 -19.497 8.962 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 5.347 6.445 0.437 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 -7.363 -15.101 2.404 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 -6.013 2.051 -12.391 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 0.463 0.871 -4.154 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 5.904 0.624 -4.735 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 -3.441 1.169 -4.773 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 2.325 -0.076 6.847 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 25.391 2.697 -6.363 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 -14.829 -1.519 -12.359 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 0.596 -2.428 4.839 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 -4.324 -11.642 -27.295 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 26.522 10.108 -4.052 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 1.656 -0.428 -6.735 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 -1.758 0.777 2.336 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 9.479 18.268 -7.303 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 2.412 3.817 -2.185 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 -4.526 -8.365 7.433 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 -12.218 -5.501 16.324 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 2.051 6.352 -3.428 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 0.246 8.206 -4.030 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 -6.432 21.009 6.536 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 0.616 4.433 -9.342 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 0.252 -5.385 -9.453 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 19.450 -1.807 -15.299 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 -1.629 1.442 4.939 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 3.739 16.227 7.109 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 -15.472 -5.351 8.141 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 -7.443 -2.121 -1.303 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 -7.047 -4.680 7.439 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 1.180 -1.912 0.788 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 -3.534 -5.718 1.770 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 -1.516 11.388 7.879 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 -11.888 -11.872 17.643 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 1.000 -2.729 4.798 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 -5.691 12.279 -1.551 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 -12.244 -30.146 -5.401 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 -3.206 -3.801 -3.590 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 -13.094 0.487 -6.407 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 0.746 14.014 3.655 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 -2.440 -0.160 -0.608 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 -7.782 -12.724 0.503 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 1.745 14.152 -16.441 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 -1.536 5.921 -7.028 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 -2.060 3.645 -1.469 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 -3.198 3.505 -16.058 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 3.462 3.026 -6.113 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 22.639 -23.585 -12.111 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 -25.564 -9.313 2.547 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 -7.771 -3.446 -6.025 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 8.296 -7.339 -13.064 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 -8.043 -8.268 12.276 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 3.091 7.140 -0.812 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 7.442 7.139 -8.236 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 3.447 -2.260 9.941 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 -5.406 -8.355 2.897 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 -1.680 -9.302 -0.313 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 -8.097 -12.123 5.238 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 -5.068 7.018 4.526 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 -3.226 -2.817 3.363 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 -10.409 21.312 -16.922 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 5.392 1.392 -1.167 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 11.166 -17.210 8.244 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 7.711 -5.964 -23.909 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 5.355 -0.247 1.755 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 -4.158 -3.973 17.996 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 8.069 -16.852 -4.033 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 -3.267 1.046 -2.476 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 7.392 -16.853 0.941 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 4.238 11.525 33.122 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 1.269 -0.857 1.794 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 -1.766 -4.876 1.433 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 -6.490 2.680 0.853 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 -0.648 1.728 -8.520 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 -8.660 -1.062 -3.658 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 9.074 -10.689 5.114 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 -0.600 1.040 8.276 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 6.327 13.262 15.967 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 -5.898 2.283 7.286 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 2.363 1.813 -3.374 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 -30.033 -30.287 1.971 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 30.276 -8.526 -0.865 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 6.386 8.208 -3.240 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 7.757 27.067 -3.386 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 3.471 -9.372 -0.139 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 1.672 3.559 0.440 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 22.204 -14.120 -18.824 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 10.974 -22.860 -12.567 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 3.884 6.868 -1.202 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 -8.227 13.358 -17.139 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 -4.582 -22.662 13.650 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 4.289 -0.451 1.468 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 -3.513 2.358 11.818 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 8.285 -14.602 -8.093 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 7.257 -3.137 -7.001 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 -3.595 -2.087 -15.723 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 22.605 -3.237 3.080 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 0.284 1.423 -8.105 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 -5.478 10.007 -25.580 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 5.139 11.542 4.460 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 -8.430 2.534 4.761 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 -8.471 -15.554 9.851 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 3.751 2.603 -9.914 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 0.976 -2.597 -1.130 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 -0.998 -2.274 -0.583 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 -10.774 18.297 -17.432 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 1.763 2.482 -2.253 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 -26.619 -14.664 7.415 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 -30.829 -9.374 7.048 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 -3.275 0.488 -1.907 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 3.406 1.035 -5.923 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 -14.769 -4.564 -0.152 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 -5.480 -1.060 -1.770 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 -13.422 -13.523 8.684 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 3.702 10.506 7.317 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 -0.485 1.274 -2.437 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 -4.250 -0.839 -3.457 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 -1.590 -11.848 -10.448 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 2.682 2.942 0.471 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 5.885 4.717 -2.726 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 6.346 -7.005 -3.068 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 6.409 0.228 -2.695 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 10.574 4.734 8.733 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 -0.757 8.079 -7.280 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 6.915 -2.093 -5.321 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 13.050 1.025 -5.613 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 -15.021 18.953 21.990 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 -1.790 -4.074 -2.144 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 -7.637 3.015 3.860 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 6.675 -1.229 -3.653 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 -0.242 0.934 1.612 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 1.023 -4.687 -14.303 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 4.343 15.392 1.999 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 1.017 -1.834 -1.970 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 22.124 -12.012 -5.896 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 -8.008 -17.954 13.960 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 -5.967 2.192 4.211 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 -5.222 2.581 0.884 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 -9.909 0.081 11.172 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 3.879 -1.033 6.398 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 8.651 3.286 1.683 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 2.705 -0.490 -16.441 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 -1.634 0.058 3.367 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 4.896 -2.198 -13.232 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 6.484 32.647 -11.030 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 -5.531 -0.160 5.164 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 7.345 -10.035 12.379 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 4.584 12.876 7.124 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 -6.376 -1.049 -1.836 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 -0.777 15.058 -1.847 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 2.835 7.835 -4.493 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 -1.173 1.392 2.132 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 -20.721 -1.958 -1.804 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 -6.382 -7.154 3.403 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 -2.661 5.000 -1.393 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 -7.861 18.857 -11.711 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 -6.268 12.640 -8.088 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 2.206 2.601 0.056 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 -20.308 -20.755 7.912 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 5.173 17.065 9.091 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 0.081 3.805 7.201 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 -6.208 9.132 14.440 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 8.611 -1.348 -1.357 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 -1.057 -1.444 2.358 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 -0.658 -2.881 0.291 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 -1.719 -3.641 5.026 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 -0.563 3.812 0.570 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 0.121 4.762 6.806 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 5.269 -2.936 -4.018 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 0.589 -3.764 6.263 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 -13.538 10.564 10.922 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 -9.297 -16.888 17.241 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 -1.778 -1.509 8.475 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 6.791 -2.569 16.144 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 8.051 8.086 -11.180 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 2.032 -0.063 -1.509 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 -1.364 -16.945 4.247 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 35.367 13.958 -3.467 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 5.077 -5.186 -0.538 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 6.158 -1.675 12.622 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 9.332 -2.187 0.258 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 2.355 3.572 0.653 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 14.437 0.197 13.449 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 19.056 2.417 10.567 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 5.153 1.129 2.332 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 11.879 0.055 11.711 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 0.022 -2.613 -8.708 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 0.715 -7.479 -1.627 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 1.212 -14.244 -10.445 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 7.191 17.295 26.440 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 2.289 -0.353 2.192 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 7.028 9.714 -30.833 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 -6.815 -7.609 8.780 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 3.461 -1.743 -5.800 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 1.472 6.326 -6.700 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 -13.029 -3.172 7.785 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 1.993 5.584 -8.372 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 -7.797 -2.675 -23.550 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 -7.610 0.137 7.514 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 0.731 5.468 -5.081 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 -7.628 5.754 -12.526 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 -4.917 10.633 12.220 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 -9.104 -7.892 -0.574 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 -1.323 -5.367 -10.480 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 -3.527 -12.891 9.191 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 0.320 0.481 4.795 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 -2.552 -12.361 -6.878 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 17.724 15.119 21.197 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 2.117 -3.464 -1.201 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 -2.378 -5.493 -3.103 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 -2.583 -5.419 -3.552 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 0.946 4.807 -1.429 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 2.516 0.337 1.068 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 1.109 -1.898 -2.225 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 2.270 -0.719 -5.676 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 4.897 13.440 40.486 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 10.904 5.431 -9.536 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 -6.477 1.815 -0.595 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 -12.283 -2.449 0.943 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 10.498 24.069 25.410 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 -6.902 -4.732 0.840 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 -0.573 3.522 -8.785 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 0.344 6.877 -10.625 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 3.030 -1.904 -5.409 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 3.911 28.191 -7.765 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 8.596 -9.554 -12.517 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 -8.358 4.119 -1.720 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 0.048 0.773 -6.165 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 5.011 -0.107 16.913 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 -1.601 -2.855 0.714 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 15.680 1.837 -7.536 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 -7.381 -16.701 17.356 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 -1.346 6.998 0.667 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 4.760 5.345 0.576 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 -4.602 12.473 12.099 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 -1.997 4.131 -3.942 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 -5.512 -18.087 -21.262 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 -2.295 -19.743 -7.044 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 -6.004 -1.814 -0.196 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 -22.502 11.472 -0.726 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 -5.333 -15.285 22.936 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 -2.306 3.496 -3.015 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 1.991 0.979 9.859 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 -5.177 4.613 -9.104 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 5.487 -5.441 0.942 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 2.718 -2.684 5.953 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 6.107 -1.095 0.769 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 2.761 -2.393 0.887 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 2.354 14.788 -4.630 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 11.496 -1.517 24.119 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 -0.128 6.545 -1.272 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 -0.471 0.004 20.820 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 23.093 16.718 8.011 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 2.836 0.251 0.734 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 -4.913 -5.387 12.968 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 23.432 18.759 9.110 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 -1.901 -3.124 3.252 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 -4.305 -5.507 1.792 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 12.144 13.829 1.809 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 -0.143 -4.080 -0.293 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 -6.951 -3.511 22.588 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 -13.450 -3.486 -4.297 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 -2.012 5.546 -3.709 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 -2.363 15.601 1.274 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 -4.441 -9.353 7.124 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 0.851 -1.646 0.158 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 -14.631 -1.346 -15.883 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 15.090 -13.794 -5.263 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 9.052 -6.889 4.545 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 16.163 -5.725 4.897 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 13.184 -7.438 12.967 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 -1.097 4.842 0.468 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 -8.730 -2.929 -10.972 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 -2.971 0.323 -8.754 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 -0.337 -1.238 5.341 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 -9.615 -0.091 7.230 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 -2.056 1.147 -1.013 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 1.205 0.990 -2.806 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 -7.841 8.881 9.553 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 -15.063 -25.252 -7.243 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 -0.424 -0.150 0.069 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 5.172 8.927 25.654 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 -4.325 11.495 -0.899 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 -4.204 9.085 -4.112 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 -20.096 0.153 -22.220 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 -5.033 23.032 -2.735 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 -11.599 -2.972 -2.108 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 -6.798 -0.056 -5.330 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 -19.857 0.394 0.947 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 4.189 4.201 0.922 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 -2.734 -11.020 -8.245 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 -3.271 -1.656 -26.397 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 1.030 -0.261 -0.800 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 -3.183 -0.334 -3.358 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 2.677 -4.288 0.293 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 0.510 1.523 2.921 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 5.125 1.097 3.259 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 4.107 6.467 9.161 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 3.756 4.841 2.015 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 -12.396 14.305 7.660 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 2.854 -13.697 -7.317 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 1.454 -6.150 4.522 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 6.452 -5.863 -9.749 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 -0.548 -30.146 -4.806 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 6.790 -3.668 2.192 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 4.121 -7.454 13.223 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 6.202 1.565 -13.684 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 -0.349 6.712 1.825 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 9.285 7.195 -7.048 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 -4.682 -7.559 4.689 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 3.927 7.695 -0.219 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 -11.571 3.291 -10.172 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 0.923 13.712 -0.702 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 -1.840 -2.234 -2.178 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 -11.157 1.565 -3.183 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 5.666 -2.715 9.422 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 2.300 -3.899 1.609 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 -9.811 -24.311 -2.070 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 -5.957 0.902 -11.478 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 1.230 -4.285 0.957 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 5.764 -11.223 -10.438 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 0.276 8.002 0.066 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 0.075 -7.544 -1.881 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 -33.907 5.033 6.497 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 9.808 -14.422 -5.918 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 -9.999 -5.342 -0.725 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 -12.357 -21.124 12.664 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 -6.067 10.081 -17.816 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 3.087 4.138 -1.660 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 8.969 -3.213 1.287 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 1.767 7.490 -6.855 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 3.093 -2.093 0.619 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 15.508 0.129 21.424 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 -2.103 -6.025 -16.328 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 -6.423 -5.621 -0.349 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 11.946 -1.135 -18.488 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 19.207 -11.561 14.305 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 -0.382 1.197 4.026 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 3.900 4.355 3.025 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 -4.805 1.907 5.202 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 2.579 -3.228 6.175 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 15.725 8.472 32.294 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 -3.820 -17.057 15.741 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 2.112 5.608 6.218 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 -29.249 -8.993 0.405 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 24.689 -5.653 19.945 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 -8.077 0.344 -1.076 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 0.749 -7.592 -5.948 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 -5.785 6.370 2.234 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 1.626 -3.600 2.969 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 -0.739 8.386 -17.660 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 4.848 -12.436 -6.465 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 -0.493 3.166 5.114 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 2.710 -26.266 -2.370 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 -13.575 0.907 1.706 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 -1.023 -0.540 -4.562 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 10.500 0.708 -1.135 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 21.959 0.226 -0.758 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 9.236 3.918 7.002 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 0.745 1.867 16.698 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 14.934 24.081 4.132 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 0.539 0.024 -8.794 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 4.039 5.904 -8.436 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 11.651 22.178 1.695 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 5.884 -0.141 -0.275 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 9.374 4.272 -0.258 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 -32.006 4.013 2.408 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 1.765 0.267 -5.240 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 5.848 -7.111 -9.372 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 2.441 5.509 3.195 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 6.368 1.488 3.215 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 0.640 4.449 -7.096 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 16.123 4.276 -1.756 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 -5.798 3.421 -3.661 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 -16.234 -7.516 12.472 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 -29.570 -6.111 16.795 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 -2.337 2.816 -0.350 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 -20.849 -13.038 13.750 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 9.472 7.402 -8.150 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 1.760 6.675 -1.667 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 4.751 -4.411 16.124 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 -19.218 4.278 -4.508 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 -1.955 0.622 3.485 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 -28.080 8.501 -0.325 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 6.922 -21.459 -13.054 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 2.563 2.130 0.244 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 -20.112 36.619 -33.513 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 2.238 -0.115 0.751 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 0.107 2.066 0.003 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 8.430 0.981 -0.301 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 -10.190 11.368 -14.648 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 -2.135 -4.644 -3.008 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 5.180 -10.585 0.948 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 -2.375 -7.959 1.984 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 -0.652 -3.055 -1.979 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 -16.290 -10.414 -11.457 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 7.167 -0.718 -7.016 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 2.991 2.764 -4.984 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 2.054 1.998 -6.620 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 4.180 3.303 -4.366 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 6.417 1.802 -4.039 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 8.999 4.338 -1.243 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 0.937 -4.313 2.661 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 1.421 5.166 -0.678 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 -3.923 12.703 14.775 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 -2.802 -7.196 -4.978 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 0.977 5.869 -0.026 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 -7.577 -5.106 2.899 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 -0.875 7.700 -12.733 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 -9.724 4.149 -0.372 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 4.244 16.541 -10.014 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 -6.422 7.814 20.625 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 1.313 2.083 -2.946 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 -0.643 6.646 -4.515 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 9.369 -14.288 3.122 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 5.204 -0.402 -2.669 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 -4.713 -6.850 -12.055 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 16.649 6.103 7.623 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 0.372 2.126 -0.339 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 -5.791 -8.495 -3.051 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 -0.480 15.505 -18.861 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 2.135 6.498 -1.430 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 27.642 -25.648 0.937 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 -14.632 13.168 -11.400 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 3.142 -0.009 1.344 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 9.313 -10.016 8.136 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 12.508 9.196 -0.018 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 -4.049 -4.955 4.861 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 -7.267 24.068 18.590 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 1.124 11.764 15.399 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 1.729 1.293 -0.088 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 4.882 7.987 -4.515 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 -6.022 -1.685 0.170 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 -6.675 2.940 0.318 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 0.463 5.315 -15.574 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 -21.128 -2.087 -2.087 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 1.738 -5.981 -3.030 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 -5.355 9.895 2.800 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 13.747 -8.466 -18.263 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 -5.140 -0.114 -1.317 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 0.904 -4.710 5.165 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 -4.031 12.955 5.543 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 4.254 4.339 1.075 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 0.309 7.363 -11.946 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 12.104 35.830 -5.492 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 -8.002 -0.137 -0.889 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 -6.859 -4.791 -6.890 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 18.648 -21.641 -15.135 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 4.584 -0.943 -2.415 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 -11.862 -5.722 3.372 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 6.533 -3.773 -0.198 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 2.802 3.604 -6.383 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 9.959 6.616 -11.963 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 2.060 5.275 -16.658 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 -2.803 -1.733 -0.259 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 -7.098 -1.902 -5.023 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 10.543 9.575 -0.085 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 1.186 -0.890 1.313 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 5.208 -3.031 -25.477 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 4.342 1.125 12.454 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 0.938 -4.514 0.553 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 -16.586 -15.110 -10.365 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 -21.952 -7.346 -16.692 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 -2.148 -4.834 -0.795 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 12.502 1.004 -17.144 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 -9.670 9.581 -12.816 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 -0.761 2.264 -4.421 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 35.514 -11.996 -3.886 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 -5.346 13.861 31.718 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 -5.223 1.517 -10.858 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 -7.599 -1.189 -9.363 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 10.883 10.296 -17.556 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 0.593 -1.161 -1.614 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 9.057 36.358 13.337 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 8.259 14.122 -3.585 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 -0.529 -2.388 2.246 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 -3.175 -0.535 3.970 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 -2.925 4.735 12.022 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 -0.554 -4.592 9.013 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 -4.940 -0.594 5.102 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 -9.512 14.042 -10.531 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 1.631 2.642 14.306 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 0.765 7.537 2.615 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 12.246 -4.967 25.989 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 -0.767 -1.124 1.169 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 3.785 8.403 14.670 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 -9.218 10.042 -6.191 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 -3.590 -1.947 -0.185 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 -11.478 3.313 -8.533 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 17.245 12.625 -5.118 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 -7.535 1.226 -3.169 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 12.078 7.495 2.515 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 -11.176 -9.894 11.088 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 6.700 4.587 -4.708 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 10.610 1.448 0.928 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 11.342 2.473 -22.580 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 0.614 0.546 3.690 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 -1.685 4.998 7.775 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 -13.706 9.939 4.190 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 -3.358 1.677 1.127 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 -16.472 12.315 1.010 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 10.995 -8.676 3.711 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 1.210 1.995 -0.031 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 12.975 3.554 -4.650 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 0.453 2.277 -0.071 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 -3.491 7.788 4.616 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 -6.234 15.644 -8.180 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 -8.201 -10.956 20.184 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 -2.823 -2.444 0.943 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 -14.707 4.712 20.726 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 15.202 -10.128 8.538 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 4.153 -1.334 1.878 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 7.909 -0.922 1.789 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 -12.055 -17.727 -6.403 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 3.684 -4.208 -1.331 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 6.020 -5.689 -12.952 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 -2.314 -6.670 -6.468 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 -9.464 -6.136 0.739 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 -1.518 -3.469 1.355 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 21.319 -28.325 4.660 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 2.453 0.086 3.657 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 -8.510 -2.179 -1.736 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 9.120 -6.230 0.835 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 -3.311 5.164 1.043 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 -11.824 6.706 25.142 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 3.781 14.274 6.810 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 7.961 1.284 -3.873 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 2.859 -13.842 5.475 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 5.068 -28.140 -15.680 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 5.081 0.948 3.598 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 -5.910 19.243 15.920 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 -2.639 -22.672 -33.834 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 1.353 3.530 7.497 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 19.627 6.599 8.030 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 -25.201 8.083 -3.718 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 0.131 2.874 5.437 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 -11.374 3.145 4.665 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 -0.114 8.209 -0.948 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 -6.023 0.056 3.815 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 6.688 -0.227 -23.393 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 -5.255 5.010 19.418 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 -5.145 5.604 -1.263 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 -10.301 -12.566 -7.346 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 14.590 7.092 21.553 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 -1.584 -0.088 1.489 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 -3.415 25.666 -21.979 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 6.059 1.505 20.718 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 -4.487 -1.699 3.685 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 7.300 1.092 -21.082 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 -25.351 17.169 -15.101 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 -2.833 1.211 9.301 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 0.383 3.469 16.598 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 -8.238 -2.892 -12.281 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 3.114 1.188 -2.590 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 -14.869 -3.521 25.403 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 -10.277 12.653 -13.825 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 6.082 -6.479 -1.295 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 4.959 -5.908 -0.447 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 8.771 -4.193 -2.918 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 3.250 1.381 0.349 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 -19.889 8.323 11.152 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 -28.802 15.421 16.704 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 -3.322 -3.605 0.306 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 -4.928 -4.197 -5.094 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 27.648 13.343 5.953 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 2.212 2.133 -1.037 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 9.692 -11.238 -8.026 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 4.257 -1.846 49.132 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 -1.884 -3.079 0.861 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 -15.152 0.435 0.296 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 -25.443 -0.131 -10.051 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 3.385 0.077 1.540 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 3.568 2.422 5.671 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 5.389 -5.181 -0.705 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 3.219 -0.094 -5.102 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 -3.724 -11.593 -5.650 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 4.548 2.784 9.915 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 0.628 5.251 4.628 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 -16.274 -2.892 11.727 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 6.819 7.698 4.981 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 4.831 -2.057 1.947 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 14.022 18.178 -7.426 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 -15.991 -5.966 -10.964 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 3.349 -0.664 -4.752 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 -3.556 14.024 7.280 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 -15.608 -22.487 17.880 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 -2.876 2.007 -6.121 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 -9.105 7.135 3.070 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 -10.463 4.313 3.372 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 -0.855 -3.104 -2.414 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 39.165 -1.102 14.644 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 -0.967 -9.430 17.788 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 -9.629 8.131 -2.025 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 2.227 2.830 -2.366 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 7.809 -14.045 10.804 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 5.552 7.562 -2.296 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 -0.537 19.844 -4.854 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 -6.360 -2.255 0.447 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 5.645 -1.044 -0.401 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 -17.062 -31.435 13.493 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 -7.667 -17.358 -11.716 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 -5.085 -3.194 -3.660 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 7.460 0.755 15.095 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 -7.579 -12.031 2.728 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 -1.095 -2.689 -5.170 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 7.387 -7.257 -16.008 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 26.650 6.830 -0.250 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 -4.063 -2.297 -3.219 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 -8.936 8.390 19.929 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 -7.101 17.417 -19.951 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 1.348 -0.625 5.622 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 3.794 -4.357 22.034 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 -13.028 0.963 4.236 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 -2.390 -0.156 0.603 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 -3.460 -5.694 2.441 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 -0.919 -2.854 -7.329 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 -3.832 4.972 -3.415 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 1.059 2.273 -23.545 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 -9.906 18.595 -2.882 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 3.818 -7.508 -1.793 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 0.009 10.243 -13.876 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 -15.224 11.721 19.404 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 2.034 -0.126 -6.615 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 7.714 20.753 25.319 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 11.281 -17.531 26.998 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 2.001 -3.023 -5.374 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 6.936 14.200 4.652 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 3.727 -3.465 -4.404 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 6.839 4.103 -0.131 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 1.241 -3.142 2.929 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 5.751 -4.780 -17.258 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 -4.645 1.435 0.793 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 -7.580 2.199 0.712 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 13.371 -3.744 -1.583 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 -7.669 5.276 -3.025 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 -11.784 7.820 -5.047 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 -2.410 5.860 -3.385 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 -3.234 -1.134 -3.280 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 20.460 -3.344 12.541 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 16.342 -1.047 -8.867 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 3.274 -0.261 5.527 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 11.266 6.670 13.823 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 1.402 -9.642 -0.522 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 -6.317 -2.812 3.119 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 -7.407 -3.336 5.982 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 -5.255 -1.955 1.275 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 1.267 1.379 2.596 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 11.185 -26.886 -6.347 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 18.278 16.823 -16.536 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 1.209 -1.246 0.544 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 -25.557 -9.996 -5.799 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 8.997 7.484 -5.146 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 4.803 -2.656 -6.958 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 14.712 20.745 -1.155 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 11.994 -32.144 13.340 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 1.620 -1.345 -4.024 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 -13.421 11.900 0.949 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 5.063 11.095 -6.841 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 -3.865 1.232 -1.399 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 1.344 -18.465 19.757 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 -6.900 3.658 -0.630 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 -0.779 5.454 2.548 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 5.053 12.814 4.495 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 18.217 8.509 -7.007 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 3.723 -4.499 -3.221 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 3.885 12.554 19.443 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 -3.340 -0.760 3.712 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 2.252 -2.600 -0.831 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 -12.795 -16.431 -1.345 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 3.983 21.531 12.436 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 -0.582 3.714 -9.831 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 19.288 -1.462 -12.546 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 -11.182 2.421 -8.332 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 -2.102 -2.097 2.127 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 16.843 -2.325 15.112 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 -5.685 -1.474 -14.096 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 1.630 0.939 -0.742 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 -1.527 1.261 12.986 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 -8.744 9.343 -6.857 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 0.271 -0.104 0.186 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 -13.486 1.066 -3.072 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 6.036 -17.334 12.138 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 8.484 -6.540 -1.045 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 35.212 -11.973 -8.359 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 10.074 -6.005 4.581 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 1.130 -5.780 2.786 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 1.357 7.857 2.426 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 -4.930 -12.230 -2.579 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 1.363 3.694 2.720 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 -0.574 -5.420 1.589 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 2.405 6.437 1.084 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 -3.943 -0.427 3.321 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 12.808 -6.801 -4.118 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 -2.611 2.718 9.248 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 -4.705 6.687 3.645 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 3.301 4.465 -12.347 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 16.541 20.603 14.502 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 0.399 -5.947 1.267 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 4.355 -4.446 11.602 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 16.777 -5.039 4.816 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 1.224 -2.753 -2.223 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 -10.483 -5.582 -5.443 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 5.668 -5.128 -5.144 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 0.275 6.086 -2.986 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 10.157 18.845 18.504 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 26.728 -8.097 -25.082 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 -7.828 -2.756 -0.136 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 -4.767 -7.554 -3.982 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 -7.300 -4.188 -1.256 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 -1.478 -4.729 2.456 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 3.238 2.958 5.447 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 11.757 13.213 8.047 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 1.725 1.596 -4.897 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 -4.507 10.042 13.071 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 12.501 8.029 -8.799 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 -0.459 -0.710 1.621 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 -4.719 3.526 -0.103 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 2.154 -8.278 -4.786 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 -0.769 -1.019 -4.678 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 -7.626 15.677 20.531 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 21.854 -17.850 6.577 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 6.646 -2.841 -1.429 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 6.833 -1.289 -4.599 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 2.065 -2.057 5.420 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 -5.217 3.454 1.248 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 8.893 -3.240 10.785 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 -10.272 9.869 12.534 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 4.272 2.502 -11.074 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 -13.772 27.969 -6.108 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 -2.093 -8.092 -2.508 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 -0.921 -3.814 -0.392 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 15.863 -10.056 -9.725 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 -8.855 10.116 -17.141 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 5.221 -3.976 5.513 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 6.021 -5.399 9.947 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 -4.072 -11.980 4.415 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 3.530 2.083 2.082 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 7.304 -0.398 6.207 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 1.143 3.796 -1.846 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 -6.515 2.924 -0.339 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 3.242 0.523 -0.898 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 4.379 5.548 -5.157 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 1.782 -2.776 3.155 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 -6.149 -9.478 18.589 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 -0.252 9.369 -0.284 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 4.807 -9.160 4.556 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 7.730 -18.226 9.345 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 -2.115 3.753 -7.288 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 3.574 -6.511 -2.451 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 11.221 6.459 2.585 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 12.889 -18.700 2.952 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 0.717 -5.082 4.941 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 0.953 -15.159 37.001 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 -26.164 4.271 19.287 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 -5.646 -2.842 -9.098 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 -2.218 -3.281 -22.765 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 4.135 -3.628 4.212 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 3.821 -1.937 -5.589 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 1.525 -24.428 -22.471 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 -5.129 5.470 -0.575 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 -3.325 0.777 -3.742 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 -11.758 1.984 -3.008 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 -8.030 9.668 -7.744 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 0.753 -3.449 0.522 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 -4.690 5.159 10.787 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 -38.496 17.031 9.770 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 -4.370 -2.583 -0.198 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 24.716 7.544 -1.567 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 7.478 10.245 -4.120 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 6.364 -1.499 3.707 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 0.595 8.375 -11.595 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 -20.210 1.770 4.381 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 1.629 -6.643 -1.111 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 15.070 -1.382 -7.148 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 15.595 -1.436 -4.693 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 -2.760 -5.167 4.259 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 -12.149 9.672 -16.929 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 4.419 -6.874 -6.835 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 6.217 3.196 2.925 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 -1.357 9.466 28.877 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 -3.345 -8.892 -6.990 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 0.350 0.565 3.510 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 -0.154 4.021 -1.908 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 0.741 0.416 -14.952 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 3.186 -1.294 5.875 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 2.476 10.763 7.196 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 2.749 -7.000 4.311 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 0.217 2.876 -0.932 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 -3.072 -15.174 -1.362 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 -0.669 8.851 13.860 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 -0.403 2.790 -6.042 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 4.653 4.880 2.264 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 -6.083 9.860 -18.447 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 -0.402 -2.718 -3.413 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 -0.669 -3.862 -3.761 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 -2.224 7.114 -3.720 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 -2.472 4.383 0.513 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 -11.375 7.634 4.576 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 16.144 14.857 0.474 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 -4.177 -5.305 0.723 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 -21.809 -1.748 -11.590 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 5.933 -4.913 -6.986 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 -0.273 1.934 4.243 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 15.896 25.338 0.746 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 -20.883 12.762 15.979 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 -4.890 -6.201 4.895 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 -5.192 -6.046 3.566 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 15.794 -20.116 16.015 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 -1.167 -4.471 -0.382 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 -12.514 -9.303 8.112 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 -3.459 -10.301 -1.227 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 6.245 1.885 3.633 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 -9.434 15.625 4.402 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 20.112 -13.161 13.037 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 11.322 -3.368 -0.810 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 -3.078 13.207 -5.286 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 -11.698 -24.571 21.733 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 -0.382 -3.432 -2.447 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 0.525 -5.463 5.103 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 -4.411 -2.275 -22.968 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 5.248 -4.396 0.800 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 2.388 -1.993 -5.713 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 3.510 16.723 -2.602 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 -1.134 2.756 1.685 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 -6.674 -11.269 -4.199 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 -26.596 14.985 -2.875 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 3.022 1.293 2.708 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 12.808 -3.827 6.998 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 3.257 -10.421 -2.866 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 -6.946 -1.444 -1.803 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 -11.827 -2.393 -4.299 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 -4.625 -5.502 1.826 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 1.388 4.998 -5.451 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 -6.202 -25.822 -28.480 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 9.999 0.816 4.020 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 0.652 6.492 6.841 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 -0.712 -42.074 -5.537 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 5.651 1.297 -0.979 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 -5.327 0.695 0.864 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 -6.893 0.464 -1.196 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 -10.368 11.465 14.749 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 -4.225 2.285 -2.653 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 -9.691 2.071 -1.703 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 7.607 3.790 6.091 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 1.349 5.046 0.053 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 -5.542 -3.836 8.908 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 -1.127 -17.791 -1.076 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 -5.174 -6.054 2.780 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 -5.448 -15.794 7.824 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 -4.833 -2.718 0.558 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 4.481 -7.685 0.784 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 11.282 -4.976 1.105 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 -5.993 -7.188 -8.580 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 0.057 1.659 -1.960 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 -13.828 10.313 -2.997 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 -20.896 -3.260 -12.601 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 1.986 -4.119 1.084 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 10.392 3.000 3.272 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 -8.207 4.678 6.779 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 3.360 0.361 0.737 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 3.684 1.186 -0.692 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 4.100 0.943 -2.024 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 -8.085 -7.629 -2.212 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 -10.672 -4.898 5.806 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 1.911 6.208 -0.676 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 0.510 6.506 -3.367 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 -21.547 28.130 -22.615 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 -14.979 21.015 -4.453 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 1.403 -0.978 2.889 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 -0.930 11.924 9.369 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 -2.478 10.397 10.253 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 -1.959 4.616 -1.172 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 -4.009 5.706 2.035 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 2.811 -2.434 -3.888 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 1.851 4.538 -4.337 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 -15.911 23.167 -2.412 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 6.410 1.595 13.226 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 -5.413 0.217 1.185 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 -11.779 6.555 -0.391 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 -12.414 0.701 16.607 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 -1.629 -2.536 -2.950 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 12.661 7.501 -3.521 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 -11.313 -12.636 0.176 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 -1.969 -5.543 1.455 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 -27.210 -0.732 -4.758 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 13.948 2.962 -15.902 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 -0.588 6.576 3.107 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 14.359 2.185 -3.406 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 22.639 -6.553 14.013 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 -1.571 1.768 -0.759 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 -4.461 2.557 -1.370 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 -1.623 4.740 -3.118 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 -0.698 3.607 1.484 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 9.494 -19.059 30.966 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 -4.446 7.192 -0.576 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 -3.931 -5.044 -0.761 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 7.990 9.901 11.928 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 5.186 -1.935 6.491 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 2.996 2.248 1.522 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 5.591 -11.898 -0.699 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 -6.941 15.325 21.624 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 6.864 1.839 3.358 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 12.596 2.187 -7.438 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 32.149 -15.561 2.177 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 2.005 4.373 -0.671 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 -3.145 -4.865 1.551 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 17.015 3.815 6.689 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 -4.638 1.724 -4.137 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 6.714 -11.433 15.344 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 -8.475 15.068 -16.949 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 1.748 -6.818 2.694 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 -18.465 14.347 -10.776 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 -16.971 -12.254 -2.247 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 6.839 8.953 2.144 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 2.727 -4.201 1.964 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 -3.450 14.262 5.928 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 -1.887 -2.041 0.782 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 -11.835 -16.675 -10.209 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 -1.476 5.075 -5.568 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 -5.824 5.142 0.888 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 -4.213 8.998 1.448 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 -3.608 7.082 -2.953 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 0.730 -1.173 4.730 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 -3.744 0.843 -0.481 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 -2.990 -2.499 -5.210 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 5.510 4.306 0.712 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 -9.246 -10.661 -4.994 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 3.412 6.039 9.255 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 -0.921 2.071 2.427 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 23.102 6.702 24.122 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 -0.002 1.716 -1.157 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 -3.204 6.008 0.017 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 5.824 11.456 -18.186 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 -13.094 22.937 11.773 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 -3.450 0.476 0.279 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 -6.112 7.487 7.590 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 0.159 3.597 7.978 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 2.781 -3.468 -3.753 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 12.687 -15.933 10.251 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 18.576 9.843 -10.705 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 -3.922 0.774 1.095 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 11.822 16.957 -3.154 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 0.746 1.373 -13.327 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 1.874 -7.769 -0.293 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 -23.904 -2.530 5.199 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 19.992 -16.386 -7.698 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 -2.722 4.539 2.740 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 12.431 27.336 8.282 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 29.350 -8.847 -4.857 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 -4.096 4.080 4.367 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 -3.389 -5.699 2.626 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 14.266 -9.261 -13.183 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 -1.259 3.729 -1.657 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 -2.681 18.578 -3.557 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 -7.927 13.821 -9.869 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 5.074 0.228 0.406 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 14.165 16.837 12.193 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 5.646 13.807 -12.928 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 2.271 -6.378 2.293 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 -6.591 -2.196 0.110 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 -0.855 5.557 -3.082 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 2.958 -2.772 -0.732 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 25.708 -13.108 -3.059 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 -14.628 13.842 24.061 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 -10.679 0.181 3.790 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 -3.849 -8.576 -1.098 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 -2.410 -7.499 -2.723 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 -5.030 5.284 -1.326 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 -3.210 -7.332 -7.704 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 -12.474 -9.426 31.121 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 -2.165 -0.353 2.187 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 4.726 -19.416 10.671 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 -3.608 -9.186 -16.495 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 2.559 -5.165 -3.439 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 -4.910 -5.830 -3.503 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 23.939 -2.620 0.376 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 -7.449 -3.418 -6.117 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 -1.656 16.575 -27.772 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 -9.324 -7.111 2.203 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 2.080 -3.987 2.490 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 -2.549 3.870 -2.723 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 4.040 1.962 11.217 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 4.163 6.058 -3.002 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 1.461 22.313 -0.111 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 5.758 0.142 0.575 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 -0.755 -7.691 -1.582 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 -15.386 -2.149 11.540 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 14.638 -8.587 -23.840 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 1.804 -0.878 -0.622 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 -9.407 -14.455 -12.845 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 14.819 -3.058 3.664 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 1.093 -3.257 -0.995 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 0.304 -10.286 -5.333 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 1.103 2.222 4.113 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 2.075 3.818 -5.084 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 3.935 -4.174 -4.617 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 8.244 7.602 -8.987 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 -5.204 4.491 3.967 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 5.255 25.129 10.849 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 -8.172 -6.174 -17.234 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 -2.901 0.762 2.166 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 11.459 -14.602 -14.608 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 -1.635 9.783 -6.096 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 -3.388 -0.224 1.968 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 -23.227 10.604 -8.604 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 3.924 -10.493 -5.816 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 3.212 -1.720 -0.420 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 -2.731 -2.741 5.577 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 -6.449 -5.038 -11.002 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 -6.915 0.327 -7.217 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 -5.205 14.158 7.030 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 3.055 30.144 6.590 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 8.020 -3.584 -1.098 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 3.361 -7.765 -0.275 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 26.888 -2.771 13.299 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 -2.046 -2.916 -3.526 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 19.764 22.450 -2.613 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 -4.478 8.402 8.122 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 -4.729 -1.840 -1.417 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 3.077 -5.254 -9.018 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 -21.529 5.480 16.060 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 4.687 -2.205 -7.152 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 -6.823 -10.649 13.434 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 -3.278 -5.784 -1.470 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 1.369 -3.171 4.664 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 -0.350 -5.260 8.452 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 0.898 -11.713 20.795 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 1.642 -3.790 2.256 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 -3.764 -12.220 16.624 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 2.887 -21.966 -10.969 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 -3.610 1.185 0.415 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 -13.694 -1.329 -1.477 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 -8.118 -3.145 0.179 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 -0.836 1.113 0.881 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 9.221 5.630 -6.149 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 -29.428 -8.165 20.958 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 7.181 2.108 6.286 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 2.212 24.606 -3.004 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 -10.375 9.111 -6.748 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 -0.692 7.311 -3.969 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 -2.583 1.544 9.114 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 -3.424 1.127 -4.824 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 -0.870 -2.443 5.778 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 7.398 -5.670 17.042 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 -13.482 17.609 4.143 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 2.579 -0.868 -6.749 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 9.061 -0.929 3.845 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 3.877 -11.770 -17.743 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 -1.138 0.158 -6.378 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 12.859 -8.492 8.372 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 4.080 29.197 -8.962 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 -1.602 -0.579 2.787 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 -12.628 7.903 -11.385 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 -11.318 2.197 18.995 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 4.008 0.928 -6.634 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 7.637 -17.277 8.265 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 7.206 22.445 5.945 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 2.171 1.772 2.381 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 9.258 5.879 7.906 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 -23.872 -7.571 -25.082 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 3.577 -2.489 -3.217 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 16.132 -0.822 -4.639 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 5.119 -1.645 -2.761 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 -4.595 -6.226 -0.735 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 8.463 -4.240 -0.456 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 -10.512 -16.215 -11.623 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 -2.973 2.720 -3.033 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 22.721 -7.938 7.528 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 7.364 -6.039 -23.995 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 -4.676 -0.493 -1.588 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 -10.676 10.120 25.780 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 26.123 -9.428 5.721 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 2.423 3.795 -2.130 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 0.909 16.891 -7.221 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 21.349 9.211 2.370 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 -0.646 4.672 0.702 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 -12.233 0.965 -7.759 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 -2.842 9.691 0.586 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 -2.367 -0.577 -4.634 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 5.498 9.250 5.149 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 17.394 1.175 14.221 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 -0.819 2.895 -1.840 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 11.196 -6.412 -11.349 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 -11.389 -5.865 -1.259 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 0.271 -1.079 6.909 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 3.450 0.487 16.111 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 -2.670 16.197 -11.995 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 -1.851 -2.243 1.138 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 9.391 -14.015 16.148 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 -21.816 -11.358 -5.106 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 7.052 -8.111 -3.729 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 13.993 -15.755 -2.830 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 0.001 -13.076 -10.257 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 4.803 -0.807 2.970 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 -3.243 6.511 -9.341 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 -1.974 3.782 2.161 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 -3.675 2.315 -2.171 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 -7.496 11.092 -14.364 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 -0.929 -1.079 8.507 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 -5.216 -2.151 -1.668 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 -22.228 3.250 3.622 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 -6.836 1.419 -24.830 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 -1.128 -0.164 0.766 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 12.787 -11.433 0.756 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 19.031 1.413 2.854 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 0.255 5.618 5.439 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 16.548 -1.056 -9.211 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 5.994 0.907 -14.183 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 2.973 2.628 3.581 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 11.954 9.442 -23.164 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 4.027 -5.327 -0.950 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 1.470 -3.355 1.076 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 -17.915 8.411 1.463 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 -1.548 -2.784 1.091 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 -1.862 3.295 -3.085 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 9.568 -4.104 -9.521 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 4.979 15.060 1.157 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 -3.427 3.280 1.295 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 -39.377 8.484 -12.507 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 -8.070 15.732 22.523 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 -1.633 3.846 3.197 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 9.357 -2.895 8.426 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 5.229 -1.853 -5.965 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 0.714 -0.698 -1.387 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 3.665 -3.231 4.676 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 -0.233 -6.529 -3.521 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 -5.781 1.033 -3.591 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 -4.730 1.202 -7.162 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 0.207 7.061 -1.830 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 0.330 5.707 -1.445 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 -2.251 8.969 0.500 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 -0.459 -0.273 -5.984 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 1.242 2.973 3.143 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 9.283 12.636 -27.881 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 -3.931 1.739 8.623 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 7.060 2.617 6.487 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 7.541 -1.325 5.111 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 11.320 4.479 6.084 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 -3.524 -0.053 -4.904 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 13.870 -17.418 9.670 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 18.010 -21.374 13.071 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 -1.603 0.196 -4.495 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 10.586 -6.059 -14.153 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 -11.519 -17.224 -7.008 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 1.482 0.320 4.667 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 -2.970 -35.392 16.132 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 -5.361 -12.644 -2.933 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 -3.715 -6.813 5.645 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 -9.716 -17.702 -27.583 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 6.254 -17.309 -2.646 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 0.064 3.020 -0.066 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 25.132 -34.051 7.781 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 -4.671 3.378 -1.858 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 -0.607 -4.319 3.480 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 32.067 -27.000 -3.367 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 -30.712 -33.138 7.602 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 5.831 4.028 3.778 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 -1.305 -3.541 4.672 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 12.525 9.622 -5.457 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 1.420 2.534 -1.518 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 10.040 2.494 3.063 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 -2.937 10.766 2.372 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 -3.252 -9.034 9.736 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 -12.204 -8.552 1.253 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 1.461 -11.848 16.102 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 0.600 8.678 -4.191 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 -7.256 2.694 -12.593 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 8.567 13.801 -2.713 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 0.142 1.631 -0.534 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 -6.373 -14.552 -10.731 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 -6.391 -22.723 -15.907 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 -1.018 8.041 3.876 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 -4.212 -0.058 5.354 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 -4.791 -5.222 23.918 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 -0.811 3.049 10.897 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 12.988 -8.921 -10.571 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 21.265 -4.652 17.090 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 0.388 0.326 0.524 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 6.318 -15.116 -21.831 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 -5.213 27.382 -5.793 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 -8.822 1.290 3.708 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 -8.485 5.730 0.307 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 -11.427 -3.203 10.057 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 -1.265 -2.117 -3.621 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 -1.838 -8.626 4.087 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 -6.185 4.460 0.952 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 -2.574 1.713 -6.159 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 2.628 -0.325 -10.600 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 -9.506 21.732 1.782 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 6.795 -0.817 -1.581 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 1.187 1.894 -2.610 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 -25.846 5.182 -8.917 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 -8.879 1.364 -2.413 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 5.339 16.253 21.483 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 -12.190 -22.259 -17.337 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 2.290 2.227 2.368 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 -5.839 -6.871 -10.424 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 -3.439 -3.484 -4.360 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 -4.432 5.734 -0.650 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 17.711 -4.114 8.507 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 -10.306 1.517 0.913 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 -1.034 -4.134 -1.229 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 1.320 -5.848 -15.805 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 -10.546 -29.314 4.812 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 -2.366 -1.785 1.738 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 -0.970 -13.750 6.113 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 -11.071 22.366 18.000 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 -1.948 -1.654 -2.734 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 -1.506 -0.766 -3.538 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 -1.744 -2.582 -2.770 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 4.264 0.447 -5.821 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 6.289 27.011 -19.155 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 -12.771 18.065 7.305 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 -0.323 -1.420 0.867 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 -4.713 -14.583 -8.743 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 14.356 -5.822 3.236 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 2.152 1.366 -4.245 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 -1.451 3.335 -17.702 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 9.125 6.505 -0.299 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 3.016 -2.390 4.710 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 2.262 -1.188 4.963 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 -3.646 9.124 7.399 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 1.652 1.572 -1.179 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 23.599 -10.686 -3.609 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 1.547 -7.321 16.148 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 4.327 -3.072 2.670 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 13.445 -4.846 3.602 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 -6.371 3.000 4.720 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 -2.731 1.322 -2.353 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 5.489 3.150 -18.767 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 16.799 5.225 -41.689 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 -6.307 0.096 1.689 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 10.763 15.924 11.860 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 -6.215 1.025 -14.898 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 1.045 9.886 -2.440 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 6.904 -13.983 16.923 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 1.786 16.449 -6.764 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 -3.172 4.276 -5.190 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 14.123 -16.137 -10.041 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 -13.932 -4.759 -18.135 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 0.300 1.138 -2.735 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 -13.779 2.450 -8.952 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 -1.636 -7.118 -11.691 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 6.993 7.391 -1.056 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 22.609 6.387 12.725 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 -6.654 -14.636 14.943 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 2.598 0.411 2.307 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 -1.563 2.201 -11.819 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 8.414 5.327 1.548 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 4.442 -3.902 -2.767 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 -0.085 -2.122 4.884 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 1.257 2.377 -2.323 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 -2.256 1.957 -4.004 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 1.314 -2.027 -9.583 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 -1.785 -4.287 2.001 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 -0.395 2.446 -3.574 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 5.729 -7.001 -0.945 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 -22.316 1.115 -22.020 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 -1.377 -0.822 1.609 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 7.731 7.098 -6.694 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 -3.489 -19.771 10.861 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 5.515 6.061 -9.446 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 10.649 2.653 -3.551 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 -5.428 19.431 -2.811 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 -0.804 2.249 -2.203 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 9.377 6.002 -5.322 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 -4.301 4.186 8.533 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 3.728 -3.044 0.851 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 -0.460 -7.785 2.006 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 4.941 -2.204 8.185 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 1.564 -0.517 1.617 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 3.833 -24.307 -6.443 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 -12.288 -0.231 24.382 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 -2.450 2.512 -8.795 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 16.557 -22.572 6.471 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 5.153 -3.396 -5.334 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 -0.825 7.346 3.891 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 6.343 0.968 8.372 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 14.304 -6.088 12.297 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 4.749 4.399 3.928 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 0.110 7.989 10.149 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 13.066 -2.338 -5.890 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 1.328 4.289 4.656 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 -6.555 6.525 1.460 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 -1.839 2.663 -9.640 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 -1.964 -1.260 -5.159 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 -8.967 16.790 -7.316 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 7.701 -6.770 -8.057 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 2.194 -2.361 -1.394 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 -12.809 10.706 -26.503 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 15.202 17.256 14.764 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 0.383 -1.912 -2.284 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 -1.828 -2.591 -3.572 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 -2.674 -4.734 -5.816 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 -7.173 -1.891 -2.976 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 3.476 8.228 10.547 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 3.231 5.458 12.047 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 -0.771 -3.552 5.785 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 4.413 -5.752 15.604 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 2.100 -0.692 -5.250 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 -1.060 -3.173 -1.315 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 -15.270 -9.817 -26.131 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 -0.764 -12.924 -1.336 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 -1.850 1.394 -0.265 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 31.934 6.329 -10.940 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 2.475 -3.181 -19.347 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 -6.750 -2.620 -2.445 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 -7.021 2.478 9.118 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 -6.584 -1.756 7.845 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 3.561 0.618 3.741 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 16.549 4.306 -0.434 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 4.391 -14.138 -27.878 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 3.429 -2.241 1.552 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 5.925 -1.397 -2.408 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 10.464 -4.537 4.794 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 1.664 -0.952 0.848 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 7.307 6.580 14.021 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 -1.683 3.438 7.713 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 5.465 1.268 1.436 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 -4.156 -0.517 -2.898 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 7.441 11.272 0.406 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 1.121 -0.509 -7.076 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 -10.723 7.316 -2.184 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 -2.283 -15.308 -6.226 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 -1.727 -0.330 -0.933 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 13.455 -6.926 8.572 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 -2.229 -3.819 3.085 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 2.327 2.954 -2.067 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 0.887 6.208 -3.125 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 3.995 1.996 -4.896 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 0.172 -6.272 4.817 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 0.388 13.156 4.567 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 -18.704 -10.931 6.381 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 -8.598 1.710 9.865 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 -12.594 -1.264 13.952 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 -1.322 7.032 0.994 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 5.644 -2.251 0.571 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 -13.082 3.009 4.145 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 -12.558 -0.261 -14.046 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 -2.832 -1.778 -0.634 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 4.280 -4.634 9.181 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 -8.725 -17.708 15.148 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 -1.196 -3.036 -0.731 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 -2.386 -9.391 7.858 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 -7.020 5.487 -0.691 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 2.257 -2.079 -2.776 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 3.471 -22.843 -0.676 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 -1.008 -5.427 -0.381 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 -2.929 -4.036 -1.154 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 -1.553 -8.647 -2.290 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 -0.714 -1.666 0.321 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 3.610 -10.545 1.854 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 0.202 14.278 10.634 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 -6.991 -13.410 -3.387 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 3.397 1.539 1.401 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 12.071 -24.990 1.121 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 -13.073 20.175 -7.216 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 5.591 -6.113 -2.388 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 31.839 -14.738 33.247 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 14.855 0.711 11.854 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 3.093 -1.640 5.966 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 0.509 12.051 15.423 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 7.388 -18.226 -3.979 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 -1.805 -6.561 2.369 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 27.097 -10.348 -16.033 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 3.865 1.956 -12.518 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 -1.978 -4.074 -5.979 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 -9.499 -7.531 -12.064 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 -5.215 -33.846 -7.903 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 2.236 -5.285 -2.925 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 13.183 -0.124 8.660 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 13.035 1.151 -17.505 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 -7.978 4.190 -2.070 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 -1.970 1.152 -0.022 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 27.236 -13.310 9.006 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 -2.036 1.267 3.220 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 23.263 -5.047 36.293 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 -0.798 -0.552 9.600 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 -0.676 -3.631 -2.321 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 -1.589 -2.871 -0.132 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 7.300 -0.529 5.653 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 -6.741 -0.583 -0.665 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 15.067 -0.796 -21.826 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 -3.561 0.338 -7.160 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 3.773 1.210 -2.607 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 -0.677 -4.385 -3.263 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 13.188 7.778 -3.695 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 5.118 3.509 1.915 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 1.825 -1.240 12.616 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 7.142 7.926 -4.361 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 1.926 -0.688 5.688 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 8.265 -8.620 26.580 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 1.258 1.516 2.421 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 6.037 -1.564 -0.411 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 10.804 16.356 17.813 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 1.919 5.378 0.367 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 1.560 -2.244 -1.171 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 -15.089 8.340 23.638 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 13.448 4.497 -12.501 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 1.940 -4.310 -1.246 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 1.854 14.524 1.404 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 2.105 -5.736 -1.769 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 2.572 5.754 4.099 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 22.116 11.414 -0.335 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 -5.926 8.318 0.443 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 -4.916 1.330 -1.374 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 0.405 16.188 7.173 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 -3.224 3.419 1.063 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 2.511 -1.815 4.591 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 -8.173 -3.040 5.554 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 0.923 7.297 -13.767 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 0.939 -0.452 -1.092 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 -25.094 45.440 -14.286 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 -11.927 1.410 4.166 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 2.245 4.303 5.366 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 9.871 18.101 -3.270 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 -1.975 9.347 -1.407 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 -2.163 -4.926 3.453 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 7.627 -2.083 -1.305 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 -8.818 -2.926 -11.157 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 -3.827 0.864 2.325 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 -21.840 -6.995 8.459 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 -11.940 -10.560 -11.089 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 -7.139 0.853 -6.765 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 -8.478 23.599 -15.027 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 4.960 21.171 -8.439 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 -1.045 5.280 1.451 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 -9.997 7.732 2.452 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 0.020 -2.654 5.408 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 3.739 0.092 -5.411 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 -1.644 -17.292 -2.317 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 -3.110 6.074 10.536 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 2.022 3.638 -1.336 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 -2.573 0.926 -3.268 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 4.860 5.770 -1.855 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 -3.237 -1.966 4.063 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 16.663 -13.530 -6.315 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 -12.896 2.687 7.968 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 7.641 -2.824 6.724 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 10.231 -4.854 11.811 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 7.410 3.732 -4.368 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 -1.564 0.143 10.190 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 20.868 -19.455 -6.667 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 2.886 2.574 19.511 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 0.970 1.825 2.246 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 27.557 -9.284 27.038 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 -4.626 12.391 -12.520 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 -10.036 -7.442 6.287 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 9.509 2.360 18.448 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 14.633 4.164 26.947 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 0.092 -3.968 7.025 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 -0.465 2.509 -14.581 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 -3.655 -7.103 -0.433 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 1.260 -5.579 -4.382 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 10.486 1.737 -11.614 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 -12.050 -13.792 4.691 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 7.995 -0.707 -0.103 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 3.282 -14.551 4.691 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 1.260 4.776 4.687 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 0.999 1.568 3.504 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 -1.127 4.757 5.629 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 2.326 4.380 3.002 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 1.825 7.640 -1.945 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 0.321 -15.080 1.052 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 -2.417 -10.494 -5.093 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 4.669 7.206 -4.427 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 -6.500 13.196 -7.689 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 1.651 1.163 -14.858 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 -0.488 4.296 0.904 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 -0.074 0.385 -1.773 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 -0.423 -20.013 -14.169 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 -5.077 -7.289 3.173 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 -7.925 -23.165 7.576 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 9.887 -12.308 23.255 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 2.380 -0.357 1.899 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 4.478 1.170 -1.270 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 5.947 8.427 -9.563 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 -0.770 -0.107 -0.143 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 0.695 -13.239 -2.358 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 -4.436 -3.531 6.094 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 -2.649 -0.957 2.651 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 -14.980 9.014 -25.486 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 7.319 3.281 -13.579 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 8.904 3.961 -0.925 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 10.930 -21.775 -17.314 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 6.220 7.195 6.625 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 -1.767 -6.473 -4.587 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 -7.061 -21.638 -14.957 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 24.575 -3.707 7.406 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 4.136 8.760 11.030 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 2.597 9.199 18.019 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 -7.023 -6.122 23.543 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 7.271 -6.618 -0.814 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 -8.074 -12.158 3.662 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 -27.899 -4.647 3.751 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 0.841 2.172 -7.722 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 -1.140 -16.670 2.838 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 2.048 25.077 -18.101 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 -5.472 -2.199 1.671 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 -21.963 -14.203 -10.971 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 -11.905 -7.379 11.556 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 5.024 2.895 -0.790 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 -2.512 16.644 -2.758 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 16.290 7.185 7.494 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 1.841 -4.770 -4.280 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 2.260 5.077 -3.324 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 1.018 -8.790 -3.994 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 -0.089 1.111 0.424 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 -12.476 8.891 -6.100 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 0.139 12.127 1.207 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 3.074 4.344 -5.565 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 -8.636 -12.458 -3.005 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 11.540 15.832 -13.378 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 -1.619 6.469 -5.062 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 1.097 2.199 8.130 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 0.749 -0.042 -9.151 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 -1.597 0.528 -3.083 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 -16.891 34.878 20.582 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 -18.268 -15.608 5.593 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 -7.274 -2.826 -0.366 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 -22.280 9.278 3.700 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 0.578 17.281 -3.485 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 8.145 -5.009 6.675 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 22.226 -3.620 -3.944 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 23.543 -14.530 12.021 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 0.979 -5.444 -10.338 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 -7.638 6.969 -5.542 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 4.397 0.548 4.558 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 0.791 -4.627 4.970 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 -3.722 -15.599 -2.433 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 6.955 17.883 16.397 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 1.121 -0.075 5.079 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 16.111 3.388 -25.131 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 5.338 -8.585 32.145 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 -2.221 -1.909 2.215 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 -8.896 5.373 -6.960 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 -17.764 0.384 10.541 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 3.086 -1.476 3.282 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 -6.195 11.142 -10.967 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 -14.519 8.538 -13.312 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 0.324 4.783 -4.800 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 8.711 4.498 1.780 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 -6.592 5.279 -5.306 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 4.877 2.797 -1.540 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 0.274 -8.053 2.802 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 -0.454 10.231 6.084 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 -2.306 -1.072 -3.233 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 -0.107 3.709 -2.577 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 -5.260 -6.112 -3.788 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 -2.251 4.342 -3.009 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 -2.434 -3.442 -1.077 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 -2.300 20.584 1.098 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 -2.984 1.166 -3.196 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 0.893 -2.478 0.364 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 5.576 -3.909 10.547 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 -5.702 -0.189 8.415 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 6.989 -1.567 6.859 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 -19.829 13.450 19.411 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 -1.459 7.280 2.341 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 -9.775 11.540 -19.222 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 11.841 13.127 3.676 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 -3.522 -6.796 -4.761 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 -0.754 9.629 -24.938 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 -4.331 1.420 -16.130 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 -0.150 4.817 -0.816 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 -13.617 10.742 0.229 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 16.111 -12.800 3.761 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 -1.780 -4.337 1.035 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 -7.422 -10.224 9.863 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 -15.979 4.895 10.470 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 -1.800 -2.272 -1.472 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 -3.191 4.553 -5.588 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 8.864 14.177 48.084 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 1.373 -1.423 -3.219 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 -14.297 11.074 -10.528 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 -3.440 -6.279 7.319 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 -2.908 0.620 -3.283 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 -9.541 -0.976 -6.797 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 2.668 -11.233 2.756 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 -1.259 -1.342 2.003 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 14.656 -8.889 0.989 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 12.495 -7.247 -3.541 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 -0.305 -2.795 -5.150 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 -0.106 -18.037 -14.400 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 11.126 5.239 15.516 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 2.692 2.016 7.475 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 2.275 4.473 10.463 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 6.370 -22.005 -15.208 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 1.688 1.341 -5.586 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 12.327 -15.233 10.760 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 16.014 9.935 -18.681 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 -5.842 -8.597 5.563 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 3.931 6.642 37.116 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 -5.924 -3.269 13.150 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 7.711 -1.351 5.939 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 -5.532 -18.171 -7.516 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 3.076 -4.613 -0.051 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 -1.641 -2.215 5.384 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 9.410 -16.313 2.896 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 -2.813 9.582 8.798 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 7.238 1.506 2.903 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 11.815 8.052 -13.855 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 7.115 -1.228 20.212 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 -3.561 -4.441 -2.310 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 5.981 -0.707 -8.779 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 -5.470 -12.527 1.034 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 -1.021 4.215 1.760 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 -1.130 5.319 3.399 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 11.364 6.765 7.483 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 -2.913 1.619 -4.003 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 -3.648 -12.188 38.399 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 -4.382 0.565 -0.142 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 -8.669 6.155 -2.330 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 -14.517 8.318 -18.269 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 -15.406 3.602 0.786 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 -0.964 8.840 3.146 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 -2.544 9.565 14.892 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 -16.743 11.805 -9.483 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 -10.555 -0.313 4.317 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 -18.205 2.075 5.285 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 -26.783 15.317 -13.431 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 1.314 -7.295 3.140 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 21.944 16.942 -12.645 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 -20.304 -29.061 -16.978 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 5.119 -1.660 0.523 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 4.871 9.336 22.297 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 17.607 5.599 2.901 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 8.722 0.132 1.704 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 19.654 3.630 -3.167 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 7.457 14.083 -19.537 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 0.571 5.041 -3.739 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 9.263 15.254 -4.444 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 5.079 -3.857 5.628 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 -3.718 1.058 -0.815 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 -1.944 -10.576 12.090 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 0.095 16.368 7.392 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 -0.652 4.400 5.401 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 6.524 13.079 -4.296 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 -12.375 -9.373 22.536 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 8.229 1.575 -3.073 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 24.336 3.836 3.104 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 -2.841 5.679 -17.440 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 1.136 -1.066 1.095 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 1.331 19.405 2.884 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 5.026 -41.567 -4.609 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 6.415 -1.566 -2.327 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 2.145 -9.003 -10.699 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 13.867 -8.863 -6.224 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 0.365 -1.734 -2.052 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 8.017 -2.573 -2.115 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 24.803 -19.191 -14.527 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 2.791 -1.440 7.632 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 -1.903 7.298 -1.026 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 7.393 6.191 2.784 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 -6.402 2.317 1.280 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 4.562 -3.773 4.277 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 -6.404 5.958 1.438 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 0.354 1.056 -4.141 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 -1.628 6.675 -3.768 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 14.861 -9.660 -10.677 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 0.100 -3.017 2.947 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 -17.710 4.145 -10.086 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 6.489 -1.726 8.071 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 -0.497 -1.061 -0.099 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 -12.864 -6.329 1.773 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 7.333 3.052 -1.261 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 1.135 2.556 8.135 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 -9.117 17.734 13.423 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 -5.439 7.420 1.931 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 -2.002 1.601 1.379 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 3.269 26.219 22.915 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 -0.349 -6.046 0.052 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 4.231 -4.903 1.348 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 -11.428 -0.267 -7.394 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 3.774 -5.262 1.075 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 -0.487 0.056 0.722 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 -22.507 -1.430 12.196 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 -20.107 6.854 -7.925 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 -1.315 7.439 7.787 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 39.644 -11.970 -17.803 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 -7.729 11.480 10.686 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 -5.040 0.469 9.609 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 -12.300 -7.910 5.034 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 17.373 11.267 15.021 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 0.761 2.238 3.700 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 -7.475 -0.631 9.036 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 0.859 4.822 12.482 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 1.805 0.593 6.881 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 22.049 3.304 13.382 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 4.519 2.994 0.163 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 -1.057 6.658 4.160 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 -11.255 4.310 -8.207 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 11.180 6.787 12.613 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 1.901 -4.839 -2.964 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 -7.617 -3.218 5.399 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 -20.430 -8.534 2.998 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 -5.898 -2.574 -0.442 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 7.364 -0.786 0.255 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 10.181 -11.649 9.067 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 3.531 -1.079 1.073 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 3.584 -11.468 12.031 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 3.849 -4.861 5.355 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 -4.114 -1.434 -0.011 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 -4.746 0.270 0.664 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 -6.565 -10.343 18.568 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 -5.936 -3.099 -1.147 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 6.346 -7.335 0.863 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 -1.887 -3.259 -0.405 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 1.933 -0.013 -6.310 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 3.994 -4.696 -2.936 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 5.811 6.099 -6.128 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 2.548 1.036 2.282 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 -3.687 -2.219 -16.166 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 10.013 15.291 12.318 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 3.269 -5.924 -1.216 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 0.820 -4.319 -8.631 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 3.896 2.157 -12.816 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 -0.182 3.161 -5.186 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 0.157 3.854 -3.995 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 10.650 25.702 -1.258 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 1.181 0.066 4.810 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 -11.794 3.447 4.597 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 16.315 12.555 -2.509 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 -0.478 -1.478 -6.864 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 1.313 5.306 -11.811 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 11.834 -10.123 -10.366 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 1.694 4.761 -0.835 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 -8.895 -13.213 -23.374 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 -3.649 -2.307 -11.762 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 -4.723 7.232 -0.303 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 1.909 10.393 15.859 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 -27.612 -8.926 6.206 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 -3.670 -2.853 2.969 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 7.442 -4.203 -0.432 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 -9.446 -2.611 -6.141 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 -1.076 6.257 -1.826 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 -11.613 38.008 -3.658 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 24.082 0.564 -5.926 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 2.712 -0.393 -6.152 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 2.506 -1.026 -24.831 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 17.316 5.045 -1.904 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 -1.849 -0.466 -0.436 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 18.346 0.039 4.936 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 -9.008 -4.912 -16.874 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 0.835 -0.853 -4.298 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 -3.138 10.604 -1.893 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 -4.037 18.771 -15.399 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 -0.403 -0.748 2.533 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 -6.616 -3.438 5.563 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 17.529 -6.727 -3.678 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 1.995 -0.680 -0.388 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 13.469 -31.182 30.074 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 -0.246 -23.862 11.841 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 1.283 -3.257 -3.014 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 -15.272 -1.963 26.254 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 2.000 -3.197 7.548 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 -1.078 -3.339 -2.746 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 11.412 -2.195 22.091 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 -9.684 3.904 -20.469 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 3.440 1.390 -0.975 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 5.756 4.364 -9.498 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 11.324 7.479 1.062 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 1.515 5.223 0.299 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 9.965 -1.076 -20.907 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 16.079 -2.392 14.579 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 -4.592 -0.178 4.930 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 -16.261 4.967 4.834 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 -20.350 1.879 -17.514 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 6.419 -0.303 -1.273 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 5.214 9.370 6.599 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 3.960 -2.854 -10.690 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 5.651 -3.575 -1.991 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 17.136 -6.330 10.650 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 -5.343 0.131 -27.029 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 1.187 1.830 -0.123 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 2.949 -5.486 5.630 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 3.756 0.539 7.490 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 -0.792 -2.493 8.888 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 19.435 -15.561 12.353 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 -4.543 -29.512 -2.075 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 -0.540 0.761 1.396 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 1.601 -22.940 -3.219 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 -6.951 3.752 -0.459 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 -5.710 1.550 1.959 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 -5.701 -7.521 7.778 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 -10.547 -3.195 0.388 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 -3.129 -0.263 6.038 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 11.793 10.276 -3.483 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 14.728 6.365 -3.447 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 -2.734 -0.110 2.404 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 -23.723 23.127 0.034 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 -9.070 -2.823 12.673 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 1.843 -5.890 5.720 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 -5.888 -4.819 9.457 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 0.510 -1.498 7.810 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 7.868 -4.026 3.073 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 12.183 -5.176 4.740 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 -13.542 -6.490 -0.122 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 -6.693 1.420 0.528 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 9.281 6.357 -9.402 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 -29.751 -17.659 1.704 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 -0.777 1.073 3.007 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 18.664 -7.789 -8.190 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 -22.604 5.180 -13.120 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 -3.287 -3.403 2.036 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 -2.765 -21.182 17.332 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 -15.771 -5.201 -1.472 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 0.026 4.546 3.482 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 -17.468 22.177 -34.951 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 -2.887 22.867 -11.278 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 5.571 -1.012 0.542 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 2.119 4.198 4.196 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 3.326 2.409 12.399 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 -8.564 -5.404 1.752 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 -22.511 -0.830 5.844 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 -3.027 6.517 -4.951 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 5.987 -1.517 -6.227 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 6.100 -12.009 20.895 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 -4.052 8.184 0.864 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 -1.705 2.291 5.455 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 -16.473 0.436 13.176 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 15.151 8.625 -11.373 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 1.196 -0.707 3.445 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 4.713 6.595 23.290 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 21.402 4.071 21.591 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 -6.577 -7.264 0.625 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 -0.511 -9.570 2.202 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 -4.827 -4.783 -4.593 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 5.617 1.467 -2.144 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 5.986 1.044 0.860 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 -0.009 2.411 -24.267 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 3.067 2.019 -1.216 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 -15.874 12.064 4.449 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 -5.669 -13.853 0.769 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 -0.741 5.587 2.709 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 3.912 8.522 -0.924 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 -4.237 1.463 -0.359 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 1.012 2.630 -4.178 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 14.106 15.272 1.612 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 2.886 2.855 11.003 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 4.315 3.101 8.318 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 -7.826 -3.133 13.461 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 12.701 5.007 19.604 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 -3.423 2.091 -2.357 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 -1.575 0.741 -1.084 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 -7.409 4.750 -3.355 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 0.592 -1.588 0.658 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 -3.957 -3.426 -3.176 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 14.814 -3.061 12.866 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 4.512 -0.653 -3.633 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 6.440 -0.835 -2.862 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 1.318 -2.078 -3.721 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 1.648 -1.056 4.832 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 1.997 -33.080 1.816 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 -9.352 -4.054 16.184 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 -0.527 -2.843 1.927 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 9.651 -35.646 13.413 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 -3.599 -5.874 -1.793 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 -1.672 -4.362 -2.801 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 -0.596 -12.130 -6.293 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 -11.716 -4.586 7.304 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 3.162 -1.030 -5.065 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 3.182 -1.128 -5.849 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 5.790 -5.461 -8.857 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 1.225 1.378 5.914 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 7.955 9.002 12.080 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 0.910 -3.940 0.160 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 -5.134 -2.587 -1.862 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 -6.181 -7.373 0.515 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 -4.866 -1.551 -1.734 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 6.016 -1.372 1.029 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 23.826 -0.588 19.073 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 7.844 -3.933 6.294 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 0.885 -0.059 -6.451 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 -8.507 -14.987 27.955 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 5.885 -3.166 3.353 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 -1.166 -5.130 -11.393 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 -8.273 -2.829 -12.513 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 0.363 -9.262 -17.150 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 0.604 0.029 2.449 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 12.865 -2.173 5.169 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 -1.177 -27.636 13.272 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 0.543 6.137 -3.439 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 -0.978 40.767 -18.051 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 -12.274 1.683 1.317 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 0.966 1.668 -2.231 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 4.865 0.572 -2.508 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 -6.541 3.336 -2.241 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 -1.263 -10.968 5.500 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 -13.229 -12.850 -2.576 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 -11.785 -19.178 5.776 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 -1.251 -1.137 -0.354 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 13.733 9.963 -5.177 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 -11.132 7.132 15.527 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 -9.232 -0.965 -0.189 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 2.878 -7.732 -0.132 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 3.138 -2.483 1.001 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 3.519 -0.887 1.545 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 -5.542 -5.665 -14.034 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 16.027 8.096 17.722 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 3.640 1.547 2.510 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 -6.748 -13.214 3.984 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 3.311 8.161 -15.422 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 -2.335 1.860 8.946 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 6.616 -7.140 13.584 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 1.969 9.294 1.319 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 -4.608 2.967 3.504 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 12.658 6.041 -0.343 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 3.727 13.533 11.517 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 -4.914 -6.184 -1.259 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 6.891 2.620 -5.629 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 1.245 -10.641 8.207 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 5.216 1.399 3.698 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 -13.902 -2.338 5.449 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 30.593 -8.989 13.726 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 -8.477 -3.060 -1.930 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 -17.609 -3.431 -10.086 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 2.276 -2.380 -11.323 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 2.309 1.317 4.577 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 9.331 1.127 -5.096 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 -3.677 0.300 13.982 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 -5.126 -8.094 2.508 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 13.243 8.688 -14.509 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 15.552 7.610 -11.385 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 -2.555 12.792 -0.718 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 -11.855 7.166 -15.706 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 -13.942 -1.251 3.690 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 -1.900 0.456 -0.426 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 2.953 -1.066 -4.247 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 -10.012 6.877 -0.500 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 -4.778 9.091 -3.101 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 -16.784 10.060 17.899 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 -12.535 3.985 -0.936 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 2.854 8.007 2.388 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 -4.668 13.267 -35.332 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 -5.428 -8.505 18.232 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 -2.759 0.380 -1.032 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 15.910 -13.214 4.310 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 -0.355 -12.288 13.485 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 -4.797 4.791 9.449 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 -40.062 10.330 -11.006 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 -0.104 25.786 10.950 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 -2.302 1.261 -1.927 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 -1.610 1.776 -3.071 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 -2.249 0.643 -0.603 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 0.803 6.391 2.180 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 7.128 -8.351 -2.473 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 -22.507 -3.014 8.426 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 -4.249 -1.149 2.598 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 18.304 -6.915 12.201 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 -2.012 -2.557 -3.842 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 -1.506 0.709 2.264 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 26.873 5.622 2.970 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 12.561 21.878 18.183 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 -1.053 -1.316 1.016 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 13.194 7.185 -10.454 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 -7.433 1.195 2.999 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 -2.272 0.898 0.058 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 -7.021 -1.481 6.545 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 -5.355 -2.897 -5.471 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 0.149 10.554 -0.344 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 -4.240 23.633 6.884 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 8.527 -3.983 16.070 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 -2.019 -0.462 1.988 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 18.087 8.907 -19.975 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 3.596 18.789 -23.774 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 2.504 1.595 -3.246 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 7.253 -2.204 6.519 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 6.203 -19.848 -8.884 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 0.871 -4.453 -0.287 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 10.991 -6.462 10.496 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 4.915 -6.048 4.312 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 -8.569 -1.064 -5.230 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 -10.954 3.470 -10.772 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 -1.018 0.339 -5.016 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 5.655 -5.141 -6.101 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 2.412 -3.228 -12.733 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 5.221 -10.753 -6.816 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 4.388 -3.865 -9.476 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 4.749 -3.497 -9.003 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 -4.995 -11.305 -11.378 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 1.892 1.466 -0.136 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 7.691 -2.187 -7.768 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 3.576 0.444 -5.211 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 10.584 2.473 -3.137 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 13.068 7.788 -2.913 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 4.567 16.654 -10.756 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 0.349 -6.575 -6.997 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 12.772 -1.394 -8.467 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 -21.016 -21.149 0.575 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 9.142 2.376 5.571 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 8.561 16.428 -6.766 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 -0.096 -9.224 13.128 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 2.213 -9.828 -0.508 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 1.000 -15.172 -5.181 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 6.266 12.888 -23.744 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 0.399 7.055 -0.315 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 -36.938 -18.910 18.004 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 -16.197 22.332 14.104 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 1.803 -2.649 1.740 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 19.928 10.386 7.114 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 24.498 7.675 -7.856 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 6.156 8.253 1.517 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 7.500 11.888 0.181 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 8.787 15.630 2.489 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 -1.267 1.885 -0.875 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 13.333 -17.756 7.489 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 19.540 -12.616 2.788 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 -1.199 -2.632 -4.672 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 1.261 -10.972 5.654 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 -14.167 4.464 -0.895 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 -0.893 3.243 14.767 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 7.192 -12.219 -21.698 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 -16.615 4.095 -0.859 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 -8.789 6.623 -8.524 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 -19.679 -3.465 5.628 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 2.012 -13.783 -7.111 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 -1.472 -7.950 -0.549 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 -11.971 -10.765 -18.401 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 6.014 -1.813 0.651 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 -3.665 -2.483 7.065 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 -3.621 4.774 -2.091 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 0.666 1.471 2.154 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 9.774 -4.416 1.589 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 10.803 -4.541 8.068 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 17.803 -12.541 -1.136 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 -4.582 1.302 -3.086 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 -3.574 1.349 22.562 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 -4.474 3.194 -15.635 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 1.384 -6.060 -2.017 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 8.741 -13.758 -1.198 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 -5.053 -6.702 4.006 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 -4.474 -2.503 2.778 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 -9.740 17.042 -6.668 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 -14.782 -4.022 -0.609 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 -0.808 -5.121 5.019 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 5.624 -8.122 7.705 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 -16.369 2.188 3.900 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 1.480 -3.613 6.897 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 4.071 -8.276 12.884 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 1.678 -1.862 -26.712 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 -3.121 -3.368 -0.559 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 4.685 -7.394 -0.781 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 6.996 -6.503 20.961 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 -2.256 3.949 -0.040 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 12.459 22.440 -7.121 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 -13.003 2.164 -13.167 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 -0.222 2.564 1.956 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 2.744 -10.012 -11.384 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 -2.501 6.646 7.664 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 0.901 -2.162 7.622 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 -2.697 0.339 -3.052 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 -4.705 -10.437 10.872 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 0.405 -3.585 1.683 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 -3.023 -20.210 -12.247 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 0.342 -2.582 7.893 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 4.586 -5.708 3.493 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 -0.701 1.023 5.545 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 5.331 -2.289 25.139 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 -5.123 -0.039 0.496 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 -3.443 -9.013 -5.945 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 -5.196 -1.257 -3.459 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 -2.441 9.428 -0.744 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 25.610 24.111 -14.917 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 -24.327 -4.821 -24.411 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 -5.471 -0.865 -2.245 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 11.017 -7.473 13.556 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 -5.031 6.290 1.755 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 -3.323 -1.083 0.015 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 -5.196 -3.185 11.266 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 -7.405 -5.361 23.474 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 -3.654 -4.790 0.735 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 -9.657 -15.224 -2.757 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 -15.264 -0.059 -0.551 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 4.910 0.901 4.927 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 -9.837 5.756 -7.419 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 8.010 0.092 -21.121 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 -1.615 2.132 2.383 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 -15.188 -17.558 1.676 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 -1.229 -19.927 -9.416 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 1.668 -0.795 0.585 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 5.116 -6.827 18.228 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 -11.636 -15.236 20.958 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 10.656 1.188 -10.587 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 1.606 13.817 -11.076 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 8.920 5.165 3.227 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 2.686 -1.565 -0.614 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 -17.499 12.054 -17.455 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 18.233 -2.410 -1.387 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 -5.100 -0.298 -3.213 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 -8.441 -14.447 5.299 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 -7.113 -1.060 -5.389 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 -2.537 -0.591 1.148 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 -0.600 -18.793 -19.497 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 -26.405 11.188 -1.725 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 1.389 -3.942 -0.582 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 6.879 -3.832 11.958 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 -13.583 0.291 -15.187 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 0.938 -3.185 -2.874 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 -3.070 0.568 -1.959 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 -5.124 -8.153 -11.191 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 -3.896 1.967 0.101 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 -25.064 -1.428 9.819 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 37.579 -5.606 3.581 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 5.435 5.773 6.864 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 -1.121 -7.294 10.564 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 15.331 7.242 -8.587 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 -3.958 1.917 1.413 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 10.463 19.833 -7.894 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 14.847 -2.727 -12.448 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 0.233 1.484 -6.312 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 -22.213 -1.061 0.461 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 -5.951 1.935 -5.029 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 -2.366 0.159 0.758 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 23.616 -3.359 8.903 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 -24.909 -12.097 1.348 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 -0.082 -1.379 -0.757 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 5.399 -7.130 -4.943 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 -1.121 -3.610 -9.720 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 4.047 -1.247 -7.844 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 6.240 3.266 -16.329 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 5.010 -1.135 -10.768 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 2.471 6.395 -1.986 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 3.809 -1.637 -2.439 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 -6.834 7.499 20.022 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 3.033 0.348 -1.176 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 -0.720 -0.540 -5.624 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 -4.801 9.914 3.806 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 4.105 0.288 -3.338 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 -26.619 -13.593 15.747 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 32.505 13.110 -15.319 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 2.638 -0.544 0.057 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 -4.479 -7.302 -0.753 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 5.474 7.951 1.270 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 3.349 -4.373 -3.265 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 5.321 2.043 5.495 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 -23.797 1.326 -3.933 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 1.550 3.587 0.228 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 -3.852 11.035 9.775 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 6.698 0.805 10.533 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 1.121 -3.543 2.540 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 -2.026 -14.493 3.661 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 -6.394 1.548 12.938 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 -0.830 -7.598 -0.876 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 -1.739 -8.102 13.864 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 6.924 6.440 -5.152 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 2.641 0.056 4.007 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 5.960 -4.734 21.895 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 5.144 16.899 -3.425 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 -7.072 -2.123 2.290 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 -6.375 -0.854 0.071 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 -3.020 -2.114 -5.559 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 8.480 2.046 -1.986 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 10.217 6.337 -0.475 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 7.793 -1.871 -0.776 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 3.547 6.279 4.277 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 3.040 0.740 -2.697 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 17.389 14.647 4.598 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 0.498 -2.138 0.787 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 -9.328 -4.560 19.557 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 -16.681 13.287 6.479 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 -1.487 -1.088 8.004 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 0.552 -2.101 21.271 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 -8.525 8.280 3.464 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 -3.698 3.023 -1.822 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 -3.465 3.754 -4.108 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 -4.016 0.782 5.661 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 -0.801 -4.558 3.237 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 23.321 -16.297 -13.882 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 2.511 9.679 -0.387 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 0.360 -3.138 -0.460 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 -4.079 -6.965 -18.086 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 -2.687 -5.566 -0.605 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 -2.980 1.392 -3.411 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 19.688 -11.823 -11.893 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 -3.808 -12.916 3.154 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 -6.350 4.134 -7.301 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 27.010 -1.498 7.018 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 9.859 9.501 -24.509 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 -0.986 -4.389 -1.530 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 -3.947 4.966 -8.601 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 12.258 -8.511 1.081 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 -0.821 -1.639 6.205 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 7.841 -4.889 6.788 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 29.076 -9.462 12.692 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 4.080 11.244 -2.623 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 6.453 16.531 -5.188 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 -0.007 4.100 5.512 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 4.188 1.359 -6.134 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 21.014 7.894 -4.737 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 12.553 -17.608 2.485 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 -1.448 3.188 0.273 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 -7.337 -5.370 5.084 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 -13.068 8.558 -1.448 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 -6.932 -5.174 -3.532 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 -4.639 -15.968 -3.027 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 -15.290 -6.525 -13.153 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 3.884 -2.195 -5.047 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 16.184 12.342 -9.265 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 0.040 -5.531 -3.982 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 -2.238 1.708 5.620 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 -2.104 2.918 6.515 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 6.594 -8.277 2.009 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 1.691 0.188 -2.073 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 9.531 -3.722 0.698 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 -17.722 8.270 -1.485 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 3.411 -5.057 -0.156 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 2.295 -8.959 -4.708 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 1.915 12.456 2.274 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 5.034 2.477 -0.040 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 2.149 6.134 -6.220 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 8.255 5.685 3.622 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 1.262 -0.071 -2.541 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 9.035 7.227 -12.620 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 -14.690 -6.793 -6.954 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 0.261 -8.560 -2.670 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 18.130 -6.391 0.048 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 -1.313 -1.426 12.364 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 0.428 -2.139 -1.991 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 2.540 -2.652 -6.501 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 -2.679 -0.065 23.394 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 6.383 5.921 -0.842 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 -0.222 1.689 -12.815 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 -3.182 -6.575 17.180 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 -2.459 -1.577 -1.222 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 -5.384 8.821 -4.475 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 -8.750 -1.861 2.118 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 -2.280 -1.060 -6.336 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 -53.181 -10.594 2.700 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 -13.731 10.073 18.012 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 2.544 -0.488 -1.693 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 5.968 28.255 33.711 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 -19.747 -36.524 14.096 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 2.974 2.120 2.591 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 5.573 -7.992 11.115 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 -11.236 6.946 8.736 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 -2.082 3.004 -6.783 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 7.670 14.292 10.989 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 -1.772 7.340 -16.027 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 -0.951 -2.436 0.256 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 6.373 -9.135 -0.124 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 0.838 0.453 -12.670 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 1.970 -1.680 -0.936 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 -16.403 7.300 -5.998 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 7.398 3.248 19.159 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 -3.367 0.101 -4.667 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 -25.789 -15.204 19.623 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 15.130 0.091 -18.372 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 8.873 -1.183 8.411 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 43.908 12.715 11.029 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 0.292 -4.485 7.520 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 -2.429 -1.294 -0.892 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 6.806 -20.859 15.920 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 -10.006 -1.676 -10.571 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 -1.405 -8.503 -5.441 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 4.474 1.567 2.636 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 -6.099 -8.524 6.014 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 -5.357 1.068 -0.609 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 -7.876 1.788 1.778 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 -10.240 -6.998 6.594 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 -1.324 0.757 3.366 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 -1.172 -20.830 1.173 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 4.972 1.111 8.407 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 4.029 -7.162 -2.760 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 8.356 -7.277 8.082 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 2.211 -24.733 29.110 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 -0.192 5.903 -1.039 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 -16.379 -3.292 -15.951 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 -15.507 -0.684 -1.993 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 5.970 -7.079 4.926 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 -11.029 37.955 -36.392 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 -6.780 0.210 -1.971 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 0.311 0.737 -2.743 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 -1.891 8.359 -9.884 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 16.118 -4.698 0.931 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 2.114 0.412 3.283 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 10.771 8.862 25.328 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 11.639 6.636 -20.555 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 2.903 -0.435 -0.246 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 -3.678 1.259 -8.541 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 13.798 -7.241 -8.534 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 -0.289 1.292 5.096 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 4.282 7.245 1.817 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 -5.750 -7.745 19.371 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 -8.197 -0.633 5.315 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 6.727 16.574 -20.843 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 0.149 -1.078 6.435 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 -1.362 -0.654 -5.015 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 4.334 -9.564 5.067 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 8.048 -6.898 -16.045 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 1.838 -3.107 7.519 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 -3.244 -0.983 4.608 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 -4.932 -15.311 5.665 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 6.905 0.900 1.252 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 -2.366 14.668 -10.965 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 12.444 19.078 5.683 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 -3.838 3.430 -3.345 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 26.513 -0.292 18.045 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 -15.487 17.118 -1.593 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 -2.874 3.202 3.430 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 -4.162 2.745 6.802 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 0.967 4.728 -2.120 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 -4.195 4.863 -5.139 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 11.383 3.435 -2.180 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 -7.372 -7.537 -4.200 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 -0.637 0.513 4.169 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 2.224 6.755 2.180 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 -15.817 7.832 20.664 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 0.431 1.334 3.675 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 -3.112 0.032 -5.496 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 6.257 -13.893 17.612 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 2.094 -7.098 -0.027 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 24.369 0.067 1.113 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 -22.339 -14.399 -1.614 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 -1.377 -1.357 -1.803 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 10.215 4.005 -9.304 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 1.551 -2.088 -0.387 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 -2.064 3.610 -0.283 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 27.165 1.211 -6.987 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 -2.603 -15.686 -13.289 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 -1.246 3.464 -2.887 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 -16.102 7.570 10.307 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 -0.826 10.563 -0.134 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 4.758 3.256 -4.368 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 -0.732 -9.178 -10.264 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 -23.364 -28.062 -16.850 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 -3.130 -5.711 2.923 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 -21.570 -0.880 -7.218 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 14.453 -7.856 -1.094 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 0.008 -2.335 0.728 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 -11.218 -1.303 -10.872 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 -26.548 11.175 1.876 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 2.672 -5.268 2.929 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 16.730 0.406 -2.317 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 -27.174 14.590 -11.155 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 2.964 -1.178 0.535 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 -0.818 6.824 4.996 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 13.347 -26.147 -12.184 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 -4.214 -7.619 -1.526 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 -6.726 -7.740 -0.006 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 -23.036 2.891 -13.765 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 -2.483 -5.454 5.842 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 1.031 -8.661 0.496 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 -6.894 6.196 10.518 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 -2.585 -0.886 3.182 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 15.523 -1.722 -7.967 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 -9.969 9.258 -21.694 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 3.565 0.920 -1.672 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 -5.520 10.597 6.226 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 7.607 -4.234 -5.065 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 6.459 -4.826 -2.089 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 -15.069 -6.130 -15.575 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 -16.261 1.998 -7.828 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 6.274 -0.711 -2.040 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 10.867 -26.445 17.000 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 1.654 -21.260 12.243 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 -2.697 -3.370 -3.533 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 -1.287 5.553 -1.342 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 -2.554 1.850 -2.091 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 2.637 3.143 -2.861 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 -20.584 23.401 -13.192 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 -14.612 19.367 -8.913 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 0.851 3.077 5.634 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 2.206 8.411 4.349 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 0.751 11.285 7.390 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 -0.602 3.849 7.649 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 -7.068 10.950 8.579 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 3.647 0.457 7.614 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 -0.177 0.999 3.814 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 -2.579 9.451 -4.307 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 -0.849 10.065 23.987 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 -3.238 -5.107 0.015 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 2.408 -10.262 3.418 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 -9.185 -4.370 -5.396 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 0.525 0.630 -5.568 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 4.831 3.028 4.595 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 -7.852 5.279 6.098 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 -6.673 -4.997 7.125 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 3.716 -6.758 -5.374 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 0.403 -9.875 21.161 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 -3.826 -4.393 -2.760 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 2.592 3.956 11.524 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 -7.522 -28.755 -3.563 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 2.829 2.504 4.452 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 -3.659 2.427 4.943 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 22.407 1.271 -5.124 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 -7.051 10.610 -2.243 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 11.175 -19.582 -16.615 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 -0.451 11.850 -5.621 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 -3.169 -0.109 -2.311 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 -9.755 0.371 -6.254 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 3.785 -0.031 -15.023 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 2.447 -0.128 -2.556 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 -14.740 4.549 26.626 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 10.322 -6.885 13.835 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 1.109 4.155 -0.836 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 -25.856 10.665 -22.162 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 24.647 -25.533 -2.554 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 -4.776 -5.228 4.117 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 15.480 18.634 -10.233 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 -14.289 -0.119 9.469 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 0.392 -0.541 3.194 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 7.873 -3.500 -2.013 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 -4.403 6.640 -1.920 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 -2.553 2.601 -0.119 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 -7.787 1.147 -1.090 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 -12.669 -1.039 -5.758 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 1.208 -4.838 -2.499 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 17.522 19.711 2.320 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 -4.061 -1.137 -4.173 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 6.094 0.441 7.317 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 -2.345 -1.988 -13.326 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 -6.933 -4.469 -7.661 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 1.387 4.594 -5.435 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 -5.644 -19.066 26.361 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 7.108 -7.847 31.083 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 0.693 5.780 0.974 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 -1.184 0.270 2.260 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 9.465 1.454 -4.725 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 -0.439 -1.544 0.379 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 -19.353 3.880 -0.854 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 -10.815 -1.775 4.454 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 2.209 3.134 3.811 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 3.663 9.683 11.291 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 5.813 5.242 -1.312 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 4.166 -1.160 -5.004 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 -3.443 1.159 -17.772 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 -19.189 14.558 -2.438 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 5.446 -0.212 2.130 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 -9.622 -3.040 4.151 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 5.877 -0.167 2.597 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 -0.340 -7.362 9.736 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 -18.026 -0.083 -11.741 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 -11.427 1.622 -11.809 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 4.536 -3.498 -2.083 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 0.064 -14.174 -4.945 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 0.270 5.450 -11.892 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 4.440 -0.657 6.325 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 -3.868 -1.041 7.766 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 -0.873 0.939 8.487 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 -3.354 -1.504 -7.116 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 3.895 25.357 16.947 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 -15.891 0.070 -8.749 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 0.010 -0.486 -2.100 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 -15.322 23.354 -2.340 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 11.823 -23.743 -3.804 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 0.004 -0.198 -11.243 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 -13.590 -19.716 -11.777 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 3.837 8.859 -16.455 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 -3.971 -2.371 -0.082 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 -4.950 -19.544 -2.279 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 -21.024 3.291 3.169 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 2.094 1.177 3.927 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 14.397 -19.287 -11.684 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 16.919 7.787 -1.559 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 -0.467 2.688 -6.085 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 0.030 -1.784 -2.328 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 14.380 6.956 -1.714 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 2.509 -4.489 2.923 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 28.424 -1.058 14.693 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 1.975 -4.810 5.324 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 -7.222 -1.335 4.556 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 -7.372 -3.347 18.902 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 -8.117 -5.341 0.173 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 4.642 -3.934 2.553 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 -9.513 0.652 -2.758 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 -6.722 -0.911 8.643 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 2.707 -3.680 0.295 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 -4.739 -6.103 15.719 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 17.613 -13.260 0.498 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 -2.715 -0.333 1.297 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 -5.384 -2.773 5.014 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 -11.987 29.661 7.996 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 -1.858 -0.060 -2.851 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 -7.839 -16.386 -1.767 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 17.729 13.763 1.071 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 -7.697 3.344 -2.525 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 -6.789 0.738 -6.699 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 -7.682 8.419 -20.295 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 2.306 4.780 -3.534 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 -29.143 2.167 -1.557 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 -0.145 4.188 2.001 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 5.752 3.865 -2.561 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 6.453 0.540 -1.898 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 12.534 6.651 12.386 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 -1.151 0.088 -1.244 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 0.037 2.265 7.922 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 -0.597 -6.908 2.714 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 -4.533 2.347 -4.995 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 4.891 -16.508 -7.260 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 -7.817 24.988 -7.534 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 -3.220 -4.018 -3.342 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 -3.952 -9.809 10.081 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 8.995 6.824 -3.082 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 -2.433 1.406 5.215 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 8.943 1.066 10.972 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 -10.149 -6.134 11.513 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 3.363 2.641 5.108 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 -17.644 6.042 -12.745 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 5.958 2.408 -23.184 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 -4.640 -0.552 1.944 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 -6.847 13.156 5.143 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 -1.925 6.515 -4.382 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 -2.734 0.817 1.012 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 -9.416 -3.475 9.380 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 -13.187 7.914 -3.156 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 -4.141 -1.115 -0.514 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 -12.831 -17.478 -12.527 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 7.660 11.511 20.083 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 -8.983 0.767 -0.961 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 -7.760 -7.300 -9.114 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 2.873 -1.209 5.263 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 1.758 -5.705 -2.370 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 0.089 9.866 -3.690 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 -2.775 -3.597 6.290 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 -2.611 4.024 -0.128 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 20.859 27.192 30.898 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 34.858 -4.655 -2.071 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 -4.220 -0.270 5.105 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 -1.474 -16.048 -2.083 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 3.102 0.021 18.471 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 -1.393 2.884 -0.755 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 7.480 -13.084 1.985 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 -30.119 4.221 -19.362 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 1.297 -2.821 4.496 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 4.996 -2.422 -0.773 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 2.272 -2.311 1.957 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 3.118 1.713 3.650 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 21.137 -15.571 -5.169 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 2.254 0.502 2.028 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 6.917 2.019 -4.710 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 -4.989 -4.531 11.689 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 -7.050 9.092 -18.986 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 1.741 -4.866 -1.544 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 -5.173 -9.165 4.188 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 0.033 -8.409 1.052 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 5.788 -3.645 3.701 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 -3.153 -3.812 -2.093 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 -5.321 -12.862 -21.248 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 -0.441 -9.816 -2.386 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 -2.020 -11.223 -3.850 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 -5.639 -13.610 -7.035 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 -0.003 2.319 1.359 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 -5.197 -2.588 1.124 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 6.762 -0.323 2.099 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 5.357 3.532 3.856 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 -0.504 16.378 -9.151 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 8.192 -8.473 13.425 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 4.529 4.426 1.497 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 8.923 -11.372 8.192 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 -20.894 5.389 14.318 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 1.846 -5.031 -5.541 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 -11.744 -15.238 -4.383 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 -1.157 -7.493 -5.479 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 2.004 -1.188 2.908 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 -2.069 5.359 -3.420 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 -4.171 -8.626 4.972 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 -4.222 -5.643 -2.201 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 -0.219 -2.623 -23.643 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 -1.149 -1.050 7.169 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 0.601 4.026 1.401 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 0.236 -17.607 9.678 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 -2.124 -4.906 5.681 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 1.904 0.226 0.694 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 12.917 -17.546 -0.702 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 -8.208 -5.917 2.004 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 3.522 1.734 -0.904 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 12.965 4.603 1.023 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 0.781 -0.357 0.359 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 7.920 -0.389 1.879 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 3.332 -8.130 -11.248 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 19.632 -1.216 -0.166 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 2.588 0.855 4.911 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 -3.738 12.612 14.408 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 -10.248 -5.423 -3.836 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 -7.246 3.241 6.939 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 -11.272 -18.547 5.303 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 1.574 1.996 2.663 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 -6.400 1.418 1.488 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 -1.236 13.535 -34.025 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 -5.836 9.588 -28.234 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 -1.924 -0.329 3.370 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 2.524 10.236 -7.109 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 -0.272 1.101 4.206 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 6.502 -9.788 4.241 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 11.119 -17.631 15.267 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 18.375 8.446 -19.739 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 2.292 1.270 -4.090 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 5.047 2.286 -2.780 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 7.347 14.683 0.068 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 2.951 -3.349 2.136 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 -1.570 -8.870 18.095 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 -9.968 2.917 -5.169 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 2.970 -1.777 -5.221 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 -0.638 1.940 -4.187 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 -0.392 -7.894 -4.271 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 -4.751 4.034 0.569 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 13.701 -8.334 -9.923 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 -21.779 1.333 -1.061 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 0.288 8.215 -2.780 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 -0.812 3.685 -2.482 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 5.862 6.883 -2.874 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 1.316 8.254 0.078 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 -8.840 27.684 11.842 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 7.857 -4.337 -3.168 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 -8.504 -4.031 1.884 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 -17.932 -7.973 -13.101 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 6.948 -8.539 2.687 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 0.835 0.037 0.205 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 -3.147 -2.167 7.675 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 9.826 2.208 5.234 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 3.995 -3.872 -5.341 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 3.434 -1.786 -5.986 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 7.506 -21.483 1.603 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 -5.186 -0.130 -1.210 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 1.451 11.988 8.318 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 -3.144 8.051 -19.680 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 0.569 -1.150 -0.558 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 7.046 2.244 34.085 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 -4.898 -5.198 -20.794 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 1.369 -0.263 2.666 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 19.558 15.488 12.607 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 -6.016 -0.077 10.441 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 2.571 4.453 3.232 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 1.033 29.024 -17.880 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 23.672 10.649 6.290 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 -5.659 -0.255 3.005 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 -5.654 -9.993 -12.624 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 -8.510 -8.072 8.962 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 1.906 5.718 -5.755 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 2.760 6.463 -1.350 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 -9.847 9.765 -5.483 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 1.198 3.330 1.176 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 -8.239 7.322 18.361 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 19.273 3.091 4.653 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 -1.586 -1.143 -1.044 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 7.500 -5.869 -7.978 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 -5.648 5.987 6.280 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 1.365 2.435 -1.663 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 -3.398 2.465 9.437 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 9.319 11.507 -1.754 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 1.901 -0.481 1.349 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 6.654 -3.180 4.070 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 -8.640 18.989 2.442 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 -2.647 -2.698 3.832 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 3.811 -9.400 -7.895 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 -25.880 -15.793 7.034 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 -4.526 1.161 1.691 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 -7.458 4.739 -2.612 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 -6.769 5.668 -4.399 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 -4.116 -8.519 4.439 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 -6.340 -6.171 6.639 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 -8.224 -7.268 11.462 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 5.284 9.119 -3.362 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 3.479 -0.045 6.852 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 2.022 0.924 2.509 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 6.925 -2.961 -5.319 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 -2.463 -0.413 -2.877 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 -3.847 2.534 10.096 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 -4.753 0.062 5.891 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 5.032 7.086 13.500 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 -1.066 2.287 -7.821 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 -3.494 4.062 0.747 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 -12.069 9.495 6.016 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 -8.445 17.515 -5.129 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 1.232 5.196 3.703 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 -6.593 -1.238 -1.306 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 2.703 9.413 10.120 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 0.650 7.046 4.002 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 -18.237 6.153 -7.188 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 18.378 23.364 -11.994 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 6.081 1.923 -3.402 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 -15.145 0.933 -13.221 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 -23.734 10.534 -4.152 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 1.415 -10.151 2.455 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 1.671 7.285 5.012 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 -23.849 26.093 18.979 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 2.923 3.753 -0.538 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 -3.672 -9.004 2.685 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 0.029 -6.787 -0.849 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 -0.999 2.986 -2.582 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 -5.501 0.298 19.712 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 8.116 -15.969 -5.858 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 0.482 -0.089 -0.245 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 1.060 -10.764 8.892 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 2.054 -8.113 16.177 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 5.949 -7.591 -3.292 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 19.541 -25.598 -12.262 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 10.000 -11.605 0.240 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 1.909 0.717 -5.968 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 -1.581 0.004 -2.279 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 -4.647 4.551 10.493 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 3.948 1.409 7.388 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 1.087 15.449 25.427 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 8.380 18.034 -12.594 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 -0.646 -3.669 0.506 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 1.828 -4.313 14.769 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 10.724 -14.843 2.338 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 1.849 -4.361 -1.257 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 -9.581 18.299 19.472 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 4.232 -12.927 -17.022 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 10.281 -6.222 -0.871 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 8.632 -5.573 4.022 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 8.472 -15.008 -13.267 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 -0.947 -9.567 -0.860 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 -2.612 -7.036 -0.974 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 -0.278 -10.178 0.932 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 1.937 -1.791 0.255 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 -3.138 16.884 0.707 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 -6.313 -18.718 -11.721 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 5.758 -2.146 2.003 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 13.455 1.089 -4.276 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 6.617 3.220 11.264 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 -7.604 -0.278 2.464 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 0.056 0.630 -15.666 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 -31.318 -13.147 -4.932 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 -1.409 -2.751 -3.354 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 10.012 -18.230 -13.626 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 1.380 -11.183 -9.183 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 -4.034 0.767 -4.189 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 -19.092 -3.466 18.931 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 7.219 0.573 -15.428 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 1.858 4.386 -1.379 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 1.545 4.739 -1.187 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 -25.165 0.973 -15.033 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 4.143 1.577 6.967 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 26.208 29.872 -16.661 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 -0.795 -9.273 16.395 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 -9.136 -4.709 -4.343 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 -6.049 4.470 3.154 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 -16.549 -12.766 0.569 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 4.276 1.240 -5.049 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 -1.419 18.570 13.670 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 -24.403 13.012 -7.974 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 1.507 -4.890 -2.978 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 3.958 -2.867 -3.928 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 0.809 -4.137 0.332 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 0.314 -1.730 0.958 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 -12.788 5.812 -20.145 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 -10.938 2.852 -24.283 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 -3.580 4.713 1.354 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 3.950 -6.528 12.504 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 9.795 16.639 -12.102 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 4.960 -0.180 -0.986 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 -6.128 -4.171 -8.169 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 9.640 2.166 0.473 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 1.045 -5.790 -0.881 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 -16.596 -5.802 10.611 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 32.609 -10.195 -29.984 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 0.023 -2.740 0.249 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 -7.288 -0.543 8.775 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 9.632 3.178 3.180 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 5.436 -7.735 0.473 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 6.405 -7.065 -1.040 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 12.179 5.035 2.543 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 2.519 -4.815 5.748 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 -27.259 6.160 12.157 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 -7.779 -1.382 8.075 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 -0.755 -1.076 -9.090 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 -6.280 21.533 -9.587 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 1.347 7.000 -8.464 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 -6.483 -2.810 -1.063 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 9.622 -7.553 -22.156 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 27.220 8.198 1.971 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 -7.306 4.047 -4.149 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 -9.643 19.661 2.494 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 -22.961 0.541 -17.687 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 -3.519 -1.744 1.941 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 -0.858 16.607 -14.155 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 -25.622 18.149 -13.172 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 -0.040 -2.141 -6.239 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 3.441 -5.013 -9.006 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 0.244 -5.286 -10.539 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 6.263 3.090 3.796 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 -3.078 -22.413 9.128 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 -0.720 21.799 24.698 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 -1.099 -6.580 -3.460 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 -13.355 -5.191 1.213 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 13.708 -19.933 -11.581 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 3.372 1.474 8.873 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 4.953 -0.746 -11.313 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 -7.958 15.794 11.577 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 -1.194 3.650 -0.888 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 0.707 -13.034 -1.339 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 -4.676 -23.669 3.680 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 2.235 0.262 6.423 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 -5.127 -17.257 -1.137 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 -10.617 0.347 -6.720 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 -3.383 0.712 -3.139 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 -1.582 7.589 -10.183 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 -1.595 -12.107 -3.454 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 0.630 2.218 -1.305 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 -3.002 -3.005 -10.633 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 -5.936 -10.749 -16.252 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 0.196 -0.482 -5.099 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 0.055 -2.390 -4.777 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 -1.468 -1.347 -7.127 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 -6.966 7.436 -1.530 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 -14.457 9.226 -4.170 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 -5.874 12.368 4.938 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 2.120 1.890 -1.156 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 1.967 2.463 1.259 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 7.405 -8.705 -24.861 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 -6.915 -1.040 -8.943 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 -0.678 -11.317 -19.256 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 3.765 3.977 0.884 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 -0.587 -0.951 -3.877 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 -3.012 -9.966 -5.393 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 -1.452 -3.853 -4.684 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 2.582 -2.602 2.053 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 -21.587 -0.870 3.029 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 -8.325 -7.725 -23.305 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 7.338 -0.103 2.055 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 -1.036 14.430 -3.800 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 16.065 -11.546 -17.702 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 -1.942 1.500 -1.877 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 -13.836 23.037 7.343 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 -5.651 11.759 1.731 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 1.032 -3.518 1.094 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 5.978 -6.980 3.466 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 9.531 -9.823 3.003 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 -1.547 0.155 2.064 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 2.796 -13.166 25.991 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 9.497 12.631 -0.743 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 -2.107 -5.169 -4.741 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 -0.175 -16.699 -6.769 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 -15.481 21.024 -5.815 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 -2.393 -0.652 -1.166 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 20.280 2.003 -6.137 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 -11.008 17.292 8.884 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 3.417 0.631 9.588 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 5.381 24.782 8.073 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 -2.425 0.289 11.840 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 -7.172 -0.033 6.061 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 -8.229 -3.774 -0.835 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 -9.521 6.201 14.340 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 1.542 1.874 -1.854 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 -2.266 -5.192 6.808 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 -18.901 -5.988 -13.495 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 -7.386 -6.413 -6.420 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 -10.353 1.638 2.807 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 5.253 -4.162 -8.740 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 1.452 0.717 0.157 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 -2.727 3.390 -1.203 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 2.623 -1.011 -0.298 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 -4.023 3.810 -1.419 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 10.875 4.316 12.473 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 10.590 -3.638 -18.902 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 -0.182 1.179 1.473 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 3.202 18.572 18.793 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 -3.112 8.516 1.111 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 4.586 -12.562 1.359 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 25.426 -10.473 -31.313 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 -5.500 -2.940 11.497 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 0.749 -1.401 3.614 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 9.536 -9.730 7.560 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 3.966 -3.948 3.773 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 0.046 1.960 -4.151 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 21.835 4.611 27.023 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 28.180 19.543 -4.205 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 4.585 1.656 7.630 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 3.102 2.447 -0.465 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 17.435 14.973 -5.266 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 -4.042 -1.490 1.116 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 -0.650 13.025 10.519 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 -2.740 2.386 -42.751 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 -0.394 -1.974 2.062 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 -3.687 -1.847 -0.343 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 19.830 0.342 -2.553 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 3.297 1.470 -1.131 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 12.480 -5.398 -21.278 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 -9.499 0.702 13.449 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 3.422 5.505 7.828 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 -12.679 15.127 -5.948 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 -9.078 6.147 6.476 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 -4.108 -0.314 4.561 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 -10.415 -3.328 5.076 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 -2.718 -1.157 3.362 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 8.592 5.754 1.084 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 -3.430 -15.100 1.248 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 -6.770 -12.108 -4.648 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 5.184 -1.294 -4.473 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 1.009 -2.812 0.474 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 2.660 5.371 -6.845 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 -3.452 5.563 1.022 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 -7.603 8.314 15.844 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 -11.056 1.099 -6.108 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 0.580 0.719 -1.998 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 -13.402 -12.661 28.537 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 -4.374 -11.283 4.858 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 -3.529 1.668 1.277 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 -9.298 -1.204 -0.774 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 8.645 -6.481 6.263 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 3.078 0.795 -8.110 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 11.654 10.731 3.883 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 10.304 7.985 -4.323 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 0.885 4.243 -1.465 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 10.553 3.587 12.484 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 -10.449 3.073 -16.957 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 4.700 1.508 -8.554 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 -31.723 -12.920 33.097 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 -16.369 -3.494 11.542 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 -1.364 -0.548 2.028 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 -19.336 15.875 -27.020 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 25.944 8.997 -0.590 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 -0.585 -4.260 0.473 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 -3.004 -5.186 8.170 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 5.374 39.046 -1.122 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 -0.187 0.535 2.675 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 -17.214 6.713 2.440 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 -6.729 4.221 1.021 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 -0.427 2.337 2.059 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 19.087 8.335 9.090 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 0.031 3.848 -18.894 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 3.756 2.571 -2.980 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 -0.480 -5.075 1.191 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 -2.020 7.828 -1.743 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 -2.923 -3.861 -4.221 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 -12.252 4.980 -4.588 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 22.986 -13.863 -10.904 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 4.002 -1.515 2.242 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 4.253 -3.281 -26.410 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 10.386 -0.186 0.864 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 -0.681 -5.736 -5.640 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 -11.576 -9.529 -13.397 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 13.845 18.588 19.610 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 7.587 -4.443 -5.420 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 10.158 4.472 -12.574 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 -2.933 6.542 0.408 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 -2.373 -3.552 3.511 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 -16.557 18.249 12.847 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 -9.747 -1.303 12.246 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 7.152 0.375 5.440 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 7.554 19.649 17.396 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 6.840 18.018 17.078 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 0.098 -2.598 -3.681 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 -5.892 -5.468 15.213 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 -8.427 13.416 -10.091 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 -3.083 -0.627 -5.263 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 23.168 7.633 -17.707 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 -24.748 -27.413 1.813 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 -5.948 -1.909 8.432 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 -4.389 -12.299 -1.779 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 -1.174 0.298 -10.095 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 2.608 2.580 2.991 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 -6.628 -2.325 7.322 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 9.493 -4.297 7.735 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 -4.065 -2.104 -10.568 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 -3.765 -2.270 -11.482 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 -7.972 5.384 0.160 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 -8.205 0.202 -0.748 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 -27.852 2.921 9.010 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 -3.867 -9.421 6.097 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 -1.452 -2.782 0.265 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 -18.135 6.717 -1.273 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 -3.085 -2.000 1.942 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 6.898 -0.189 0.634 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 8.742 -13.620 -6.082 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 3.192 -4.452 0.522 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 -3.505 7.510 0.906 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 31.181 -15.651 17.021 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 27.641 -6.666 8.739 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 4.412 1.013 -2.966 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 8.322 -5.266 -2.124 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 1.537 9.112 -3.957 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 3.695 -1.889 0.985 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 -1.061 6.069 0.545 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 -1.531 -7.476 -0.755 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 4.617 1.117 1.485 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 5.721 -12.766 -3.444 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 4.209 -9.244 0.357 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 7.624 4.614 -3.350 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 5.401 -22.113 38.786 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 15.550 11.648 3.152 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 -0.132 -6.466 1.088 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 10.978 -2.736 9.238 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 -5.542 -9.725 6.435 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 -5.813 2.504 4.141 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 21.113 1.260 -14.904 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 -11.740 20.623 17.686 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 -2.712 6.464 0.634 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 13.170 5.292 -3.086 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 -19.484 -9.242 -9.718 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 -2.421 0.096 -5.894 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 -2.517 -14.606 0.943 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 -3.302 7.027 0.903 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 4.006 -2.471 5.437 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 -4.638 -6.566 -3.197 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 11.254 1.323 -2.085 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 1.481 1.231 2.717 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 -5.038 -10.042 1.112 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 8.799 -0.405 -5.726 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 0.517 -3.558 10.741 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 -4.270 8.901 10.787 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 4.717 2.331 -3.336 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 1.750 -5.207 -0.739 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 -14.571 -26.171 10.666 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 -13.722 18.710 6.399 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 -1.595 -1.154 4.536 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 14.202 -5.975 15.496 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 3.858 4.011 -8.115 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 3.559 1.805 -4.676 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 -11.371 8.349 -23.770 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 -6.710 -5.391 -6.790 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 -1.009 2.199 -2.215 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 -2.151 0.877 10.643 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 1.123 15.136 -3.706 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 3.495 -0.864 2.828 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 -2.367 -12.424 2.338 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 -1.646 -10.546 5.720 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 2.318 0.070 -4.889 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 8.925 5.129 -2.203 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 -5.391 11.998 1.728 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 -1.558 4.003 6.657 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 -8.978 22.894 12.289 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 -7.036 6.666 -7.948 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 -2.778 1.146 -0.083 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 -4.640 -10.150 -9.535 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 -0.231 17.639 -0.122 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 3.674 0.241 -2.606 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 14.533 -7.369 4.820 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 -13.943 17.444 -14.547 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 1.907 -2.602 -7.955 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 -5.795 0.898 -5.629 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 -4.388 -2.444 -11.882 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 1.173 -2.089 -4.697 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 10.511 -11.458 -2.107 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 8.148 -12.120 -3.936 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 2.022 0.473 -1.951 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 -11.982 19.386 12.691 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 -5.402 -3.102 2.628 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 -1.257 1.317 -3.106 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 9.860 -0.066 4.247 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 16.563 -13.700 -6.995 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 0.787 -2.186 -2.418 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 -4.484 9.304 -2.204 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 10.468 -5.189 7.315 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 6.603 -5.727 3.198 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 -25.269 17.492 17.909 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 32.159 -18.023 -2.568 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 -10.142 3.101 -1.507 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 -26.965 11.772 12.193 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 4.203 17.586 2.382 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 2.688 -1.973 -0.272 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 7.275 -5.088 -23.119 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 -8.534 2.427 2.927 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 -0.028 0.973 7.243 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 1.840 2.885 5.175 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 2.316 -5.275 -1.545 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 4.145 1.204 3.881 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 -2.396 -0.028 2.274 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 27.097 -5.487 14.271 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 -4.413 0.000 -4.606 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 -15.375 -10.299 -0.888 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 1.397 -6.885 -18.273 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 3.355 -8.979 -2.517 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 -10.137 -19.752 11.450 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 8.610 2.656 6.499 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 -2.507 5.975 -2.453 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 6.298 -9.182 22.618 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 0.917 -4.022 28.111 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 -2.736 2.679 -2.054 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 -15.408 -28.550 -4.350 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 4.907 26.198 -6.725 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 6.694 -1.345 1.563 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 1.939 3.618 1.767 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 8.432 -0.112 5.522 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 5.435 -1.855 -4.136 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 -3.447 -8.466 -7.269 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 10.784 1.642 -1.964 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 -1.076 0.612 -4.424 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 -18.258 -14.258 -13.451 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 8.642 18.208 8.851 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 -5.073 1.134 3.589 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 -6.763 4.107 -0.465 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 1.187 15.528 -3.629 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 2.561 2.002 -1.895 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 14.645 16.816 -6.482 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 -11.019 3.091 -5.238 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 7.825 -1.501 5.418 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 18.596 5.654 -11.050 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 -3.994 -12.065 3.361 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 -6.995 1.721 -2.911 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 -18.637 -0.174 23.342 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 15.768 -2.982 -5.076 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 -0.549 -0.570 -5.331 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 -7.137 7.944 -9.479 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 1.524 11.184 -6.336 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 -0.106 1.888 -5.178 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 -4.535 -8.325 -10.547 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 0.898 5.672 -10.372 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 -2.192 0.450 5.920 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 -2.041 1.510 3.185 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 -3.406 -2.661 -4.729 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 -0.966 -5.829 0.292 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 -8.801 -6.130 2.782 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 -14.198 -7.401 4.730 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 4.801 -2.482 1.861 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 8.134 -1.020 9.174 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 -3.460 2.666 11.568 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 3.043 1.882 2.186 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 -7.730 -4.876 9.865 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 18.579 12.926 0.161 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 3.608 3.476 1.090 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 16.727 -13.953 -8.149 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 -29.709 13.071 0.553 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 0.812 2.469 -4.546 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 32.162 0.004 -18.391 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 -3.461 19.409 -26.863 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 -1.705 3.362 -1.649 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 -1.338 12.609 9.495 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 -3.594 -1.369 -8.124 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 1.520 1.059 -9.087 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 1.661 4.814 12.171 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 5.449 4.929 -1.344 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 7.452 5.031 -1.511 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 -32.620 0.373 6.167 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 3.215 3.557 -3.131 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 -2.049 1.252 -1.918 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 -20.523 6.308 14.009 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 -1.515 -1.532 2.906 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 -6.021 -2.840 -2.270 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 5.492 -12.090 -6.391 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 -9.929 -13.273 6.157 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 -3.943 -5.289 1.210 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 -8.727 -15.061 8.107 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 14.654 4.555 1.580 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 -0.727 2.186 -2.960 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 0.941 15.221 -1.792 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 -4.889 2.882 -8.522 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 -1.805 3.521 0.819 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 19.068 15.452 -15.342 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 -17.821 -4.923 13.520 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 -2.612 -4.316 -1.380 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 15.150 -8.858 -4.892 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 -8.054 6.542 -12.452 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 0.409 -6.888 2.437 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 -19.791 -2.973 1.528 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 5.081 -6.271 5.877 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 1.900 2.130 0.722 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 -21.091 -3.132 -13.134 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 -0.510 1.275 -0.853 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 -6.797 3.380 -2.727 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 -0.718 0.171 13.400 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 2.299 -6.238 -6.030 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 -0.485 -0.919 0.578 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 7.048 -15.012 0.470 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 9.498 -9.227 14.260 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 -0.867 9.117 -0.715 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 -12.308 5.432 16.864 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 12.383 12.112 -19.848 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 -1.835 -4.750 -3.271 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 -7.254 2.541 -4.208 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 -1.986 -4.641 -2.741 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 3.949 2.382 9.384 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 4.430 1.704 9.772 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 3.577 -2.482 18.035 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 -4.513 -2.630 9.811 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 26.323 10.924 -2.018 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 -20.106 -24.214 11.162 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 -3.589 -3.435 -1.981 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 7.225 -29.706 7.735 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 29.404 5.497 -0.738 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 3.990 -5.537 -3.349 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 8.633 17.446 -2.853 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 2.449 -1.134 -8.415 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 -3.438 4.320 1.324 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 -4.467 -8.870 29.003 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 -3.447 3.901 3.309 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 1.277 2.651 4.834 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 6.939 -3.356 -21.909 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 -11.745 28.368 -1.867 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 5.371 2.884 -3.580 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 -14.071 -11.329 -6.766 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 19.987 -4.829 2.771 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 -3.706 1.868 -4.983 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 -5.983 0.215 -3.961 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 -2.173 0.405 -3.641 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 -1.965 5.483 2.844 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 -13.075 -1.914 1.828 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 19.686 27.626 -10.012 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 2.447 0.502 -5.055 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 5.963 2.169 7.582 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 18.726 -3.428 -5.713 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 1.402 -1.747 -3.124 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 -0.644 -26.653 -12.219 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 4.087 -8.506 17.833 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 -1.094 -0.876 -1.643 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 -3.465 12.125 -7.304 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 -19.994 15.616 17.149 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 -5.193 4.538 -3.600 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 6.198 13.176 -6.470 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 7.300 2.448 -12.344 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 0.570 5.046 0.591 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 -8.291 14.597 -10.339 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 6.272 0.428 3.557 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 0.526 -6.789 -0.782 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 0.307 12.739 -15.097 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 31.298 5.031 -3.101 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 -3.533 -4.811 -1.007 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 -30.663 -4.496 11.310 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 -17.661 -24.048 -16.525 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 5.549 3.975 -0.620 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 -1.889 16.543 -1.283 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 19.240 -7.018 6.309 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 -4.598 2.770 1.521 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 -2.626 -6.899 11.226 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 -15.485 1.970 17.495 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 2.087 -7.215 1.679 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 2.084 4.197 -0.016 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 -6.993 -7.705 -5.283 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 1.919 0.734 3.060 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 11.511 -0.855 -29.612 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 0.869 0.649 23.009 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 -5.421 -1.569 8.770 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 -1.451 15.614 17.607 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 -18.476 -8.191 -0.550 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 -7.987 -4.156 2.119 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 5.763 2.093 -2.322 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 32.675 4.942 -15.162 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 -4.911 2.783 -2.702 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 -13.220 -2.387 6.984 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 -7.638 -9.335 -10.585 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 0.579 0.011 2.500 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 3.104 -2.469 -7.823 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 2.592 10.990 5.265 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 1.611 3.498 -0.526 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 9.167 -7.793 -4.712 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 7.400 -7.800 -5.114 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 -1.454 -5.552 -3.238 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 -9.068 -4.388 13.840 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 -13.683 -0.082 9.194 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 4.603 1.398 1.283 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 -6.563 -38.050 8.329 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 5.329 0.129 -16.314 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 3.637 0.873 0.738 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 6.869 -15.058 -9.897 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 -8.057 -13.790 25.573 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 -0.765 -0.732 2.520 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 9.514 15.397 4.115 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 5.018 -15.082 13.592 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 -3.868 2.176 3.998 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 -7.884 -0.305 -4.204 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 -16.450 -13.864 -27.143 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 0.544 2.444 -1.516 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 20.386 1.063 2.667 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 19.920 10.801 -9.233 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 -0.624 1.190 -0.245 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 2.889 7.711 -7.577 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 0.135 2.074 -1.330 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 1.117 -1.174 0.584 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 6.925 -10.419 5.599 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 -5.478 -4.548 3.742 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 -0.977 -2.042 1.418 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 -20.210 10.149 0.506 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 -3.645 -6.681 19.452 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 0.505 2.164 -6.755 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 0.248 -25.445 -0.313 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 -2.038 3.199 22.217 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 -2.454 1.519 3.728 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 25.407 -14.349 21.789 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 -18.357 -9.749 3.220 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 0.191 1.535 4.861 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 24.626 -0.569 -13.014 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 -17.394 -19.438 -16.182 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 3.902 2.640 -4.757 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 14.244 0.958 11.522 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 16.330 -4.522 -5.595 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 0.236 -5.645 -1.821 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 -17.024 0.060 5.381 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 -5.157 6.982 -10.377 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 -4.441 4.427 2.880 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 -8.707 2.787 -0.633 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 -12.496 -7.034 -2.447 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 4.946 2.932 -1.297 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 5.022 -0.400 -1.181 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 6.113 1.403 0.905 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 -1.678 2.955 2.799 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 -10.178 18.774 -14.676 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 -2.621 0.347 8.228 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 -0.909 -0.387 -7.290 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 -21.655 3.423 -14.343 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 -13.351 4.362 -11.084 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 -0.121 1.418 -0.327 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 7.652 9.372 -16.724 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 -35.977 -22.330 21.041 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 1.230 -1.733 1.289 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 -9.403 -17.442 -13.276 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 11.241 11.364 -9.488 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 3.358 2.237 -0.180 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 6.115 2.771 4.598 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 0.231 3.006 -4.264 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 4.889 -5.859 9.670 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 19.759 -4.277 -5.809 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 -26.200 -10.817 0.093 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 0.868 -0.752 -0.343 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 -6.620 2.488 -14.728 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 -0.544 -14.483 5.484 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 -8.258 -3.836 0.147 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 -4.572 15.553 -4.348 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 3.363 5.056 -5.661 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 8.018 1.216 1.835 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 1.758 -3.511 42.098 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 -17.192 -18.716 -11.871 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 -2.308 -3.744 0.672 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 11.069 -4.623 -4.126 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 10.990 4.196 -6.920 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 0.240 5.106 -1.034 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 6.641 -2.459 4.393 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 8.861 -0.057 14.608 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 0.820 5.649 -5.498 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 33.853 -4.301 5.400 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 -0.866 5.575 5.046 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 4.433 5.660 2.328 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 -1.936 -6.097 10.724 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 3.448 -3.146 9.763 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 -4.598 -4.643 -9.479 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 3.971 -1.882 10.583 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 5.967 1.563 5.310 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 0.676 3.485 -0.605 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 3.699 -12.734 -8.193 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 24.929 9.273 -7.002 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 0.063 1.126 -0.596 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 -5.747 -5.342 -6.062 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 22.468 -14.991 0.198 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 2.823 -1.000 0.675 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 19.441 2.152 -1.603 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 -5.580 -6.320 1.308 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 3.740 1.967 3.336 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 14.824 13.162 -9.021 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 -13.832 -1.439 -10.727 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 0.868 8.054 -1.485 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 14.777 10.692 -20.164 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 6.855 11.819 -11.798 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 6.543 -0.972 1.087 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 -5.231 -21.277 -12.081 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 1.062 -5.483 23.661 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 3.111 -2.004 -1.800 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 -4.369 -23.787 6.334 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 2.416 -13.927 -6.142 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 -1.192 -0.052 2.246 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 -21.722 13.542 1.614 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 -14.931 -8.169 5.848 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 -4.189 -3.553 5.215 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 -8.985 3.828 3.847 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 -16.073 -10.601 -7.802 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 -0.594 -1.906 -7.344 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 5.728 4.131 -10.580 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 0.744 2.021 6.295 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 -0.699 -2.735 -3.114 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 30.999 15.164 -3.940 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 -15.252 12.432 -18.433 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 -3.707 0.952 -6.156 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 6.671 -17.153 1.761 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 -20.828 -0.315 6.548 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 10.592 0.568 0.209 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 13.550 5.101 -0.015 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 5.997 7.849 -19.581 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 -3.317 8.260 3.874 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 -3.046 12.886 -3.018 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 2.067 18.914 19.718 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 -3.561 0.754 -1.689 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 -17.026 11.926 24.937 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 -34.627 -1.333 7.563 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 -2.792 5.933 0.710 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 -14.261 -13.364 -11.033 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 -19.172 -9.381 -19.512 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 6.812 3.035 2.063 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 -15.091 -28.609 14.715 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 -0.502 -2.113 16.068 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 -3.255 5.684 4.729 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 16.843 -2.567 -0.556 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 10.205 0.675 1.107 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 1.813 -3.954 4.212 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 9.077 -6.511 -10.442 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 -7.810 -5.787 -7.473 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 1.056 2.146 1.426 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 4.476 -3.051 24.450 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 1.345 -0.127 9.514 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 -4.960 6.603 4.415 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 -2.764 -0.078 -8.654 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 -17.639 -6.147 1.517 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 -1.601 0.504 -6.145 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 -6.141 2.704 4.032 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 0.199 0.201 -5.563 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 2.042 3.762 -1.367 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 -6.539 5.165 -11.765 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 4.301 5.875 -7.295 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 4.623 -1.092 9.211 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 -8.569 34.314 16.056 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 -8.962 15.802 17.669 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 1.395 -2.529 4.131 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 -13.141 -8.982 3.336 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 2.874 18.279 -4.722 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 -1.856 -1.074 -1.622 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 -6.002 0.885 2.517 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 0.650 0.873 -6.125 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 2.381 3.495 0.031 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 14.292 14.795 -7.571 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 10.099 -7.042 13.218 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 2.875 -1.683 -1.189 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 -6.807 7.242 -5.591 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 4.868 0.008 -4.546 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 -0.356 -0.478 -3.041 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 13.076 -5.360 -1.188 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 -5.117 7.354 9.278 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 1.319 10.203 -5.480 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 -3.098 29.625 -9.443 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 3.117 8.784 -10.665 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 -2.951 -2.692 4.327 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 -5.649 -0.690 26.684 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 -8.791 -0.223 -2.619 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 -4.060 5.218 0.997 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 8.221 13.274 9.964 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 -6.448 1.804 -13.430 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 -0.419 1.730 1.352 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 4.639 -3.675 18.937 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 -5.406 -8.438 -31.665 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 -4.284 0.540 -4.180 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 7.603 -7.435 9.738 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 -2.761 -3.003 -4.259 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 -1.360 1.257 4.523 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 -0.910 2.744 -6.920 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 7.556 -0.234 -17.608 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 -3.552 -1.744 -2.198 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 -0.367 7.531 -9.842 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 -4.985 -4.900 -1.591 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 -0.626 4.031 2.737 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 9.620 24.232 1.848 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 -2.306 -1.484 26.405 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 8.302 -1.069 -0.128 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 8.049 -3.435 1.516 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 12.833 -13.440 4.926 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 3.150 -3.529 1.239 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 14.962 5.300 0.143 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 -1.025 -13.895 3.945 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 -3.397 1.554 -1.823 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 -6.375 12.244 -12.404 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 1.232 -8.424 -8.277 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 -0.048 -4.894 1.484 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 5.019 12.388 -21.545 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 4.437 -18.125 9.973 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 5.164 -0.271 2.857 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 13.107 -9.930 8.317 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 11.444 7.471 -8.199 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 -0.347 -2.239 -5.038 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 -12.688 1.819 -14.915 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 -23.074 -7.888 -14.376 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 -0.845 -0.168 3.413 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 8.852 2.445 40.571 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 -36.475 -19.566 6.856 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 -0.311 -1.556 1.984 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 8.557 -5.609 -9.965 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 -8.505 -7.575 11.041 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 -5.176 4.689 -1.193 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 17.699 -1.151 30.509 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 5.423 4.200 10.029 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 -6.759 4.602 2.289 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 5.550 -1.261 -13.856 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 -7.255 -0.485 -17.822 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 -5.291 -0.828 -6.318 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 -1.685 -9.067 7.589 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 -4.613 14.664 -9.850 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 -0.291 0.546 -6.087 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 2.798 -8.609 -21.982 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 -0.699 -3.053 12.331 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 7.878 1.837 -3.564 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 5.084 1.386 -0.664 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 3.908 -13.418 1.844 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 -2.515 4.282 -1.354 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 13.524 10.097 1.050 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 0.992 -7.400 8.145 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 3.464 -2.357 1.239 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 0.294 -8.415 -12.314 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 1.998 -13.057 -0.263 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 -2.722 -5.499 9.523 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 -14.589 7.264 18.387 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 3.352 -3.231 36.512 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 0.234 4.009 0.088 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 3.178 1.464 9.701 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 4.564 1.243 4.378 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 -2.599 2.918 -1.820 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 -5.257 9.739 -18.878 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 -9.199 15.773 2.399 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 -4.578 3.321 -2.433 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 3.303 0.435 0.795 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 16.294 6.651 5.452 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 4.040 -4.200 3.034 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 -4.032 -0.703 4.116 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 3.187 -7.213 -4.342 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 -1.203 0.058 -4.536 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 -16.194 9.740 2.414 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 1.133 -2.481 -10.241 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 2.134 2.745 5.241 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 6.705 8.441 11.879 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 -4.789 -6.461 10.555 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 2.703 -0.245 -4.860 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 3.543 5.739 -4.678 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 -2.525 -1.980 -1.854 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 -3.128 -1.448 1.234 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 11.949 8.655 16.841 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 1.520 -11.843 -8.942 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 -5.714 -4.643 -0.702 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 -4.353 -7.195 17.420 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 -0.940 -15.499 -3.721 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 1.746 -0.206 2.801 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 10.544 3.645 12.425 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 -10.894 12.811 2.086 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 3.660 0.912 -1.084 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 -24.719 14.694 6.462 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 14.602 -36.465 10.840 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 2.872 5.704 3.885 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 -8.536 -2.417 -22.170 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 -3.212 12.291 17.446 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 2.063 6.957 0.171 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 10.869 19.171 -9.949 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 -2.432 17.395 9.074 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 -5.315 0.563 3.444 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 -2.445 -13.697 0.053 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 7.483 19.019 -9.324 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 -2.195 -2.089 -4.098 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 0.087 4.247 -9.089 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 -4.162 -5.851 0.007 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 0.468 -4.427 -9.214 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 12.719 2.923 -12.242 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 10.186 -4.099 -14.705 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 -0.514 -7.065 -0.910 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 -10.460 9.255 7.490 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 -4.568 10.239 0.037 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 5.962 2.686 -3.734 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 11.883 9.760 6.447 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 10.747 9.011 -14.624 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 2.794 3.311 6.640 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 -0.530 -15.596 3.788 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 -0.441 16.838 11.035 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 2.295 2.868 3.462 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 2.395 -5.480 4.156 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 -4.550 -3.649 -5.527 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 2.216 -5.694 -1.197 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 -7.094 -31.459 -20.532 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 8.947 -0.721 18.476 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 8.256 -2.884 0.763 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 8.634 -15.799 -0.805 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 16.834 5.381 10.276 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 5.354 -1.274 3.408 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 11.513 -0.112 4.171 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 4.419 -4.324 -2.162 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 -2.408 3.555 -2.354 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 -3.398 11.315 5.898 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 -7.305 -2.943 1.255 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 1.583 4.174 0.380 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 15.025 1.613 -2.978 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 5.025 10.692 6.398 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 -2.931 2.507 5.415 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 1.562 -21.002 16.118 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 -17.380 -0.914 -4.355 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 0.875 2.137 -2.938 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 -9.934 14.861 -15.509 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 12.487 -14.735 -6.800 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 1.858 0.590 -0.026 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 0.979 -5.174 -2.486 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 7.810 1.496 0.556 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 3.822 -4.034 0.473 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 -11.742 -1.666 19.638 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 5.088 -21.193 -5.796 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 -2.717 1.310 6.899 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 16.807 18.499 -10.437 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 -11.823 2.687 13.709 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 -1.935 -0.338 0.470 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 -4.073 29.819 7.194 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 6.497 18.094 9.876 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 -5.744 -4.712 -6.637 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 -10.050 -7.294 -13.509 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 6.487 -5.630 -9.010 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 -2.733 -1.764 1.190 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 -13.399 -2.257 27.030 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 -0.258 -2.916 -0.837 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 -3.898 3.690 4.104 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 -4.458 1.734 -1.330 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 -14.218 7.060 13.205 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 -0.626 4.693 -1.601 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 -1.989 2.153 6.057 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 5.929 8.398 -15.504 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 -3.247 0.850 -4.957 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 -0.155 -7.744 -12.943 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 -1.983 -1.798 -13.032 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 4.057 -1.057 4.952 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 1.283 19.440 9.861 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 2.865 4.700 8.252 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 2.829 3.433 -0.397 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 16.724 11.003 -7.258 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 5.389 22.344 -10.844 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 2.003 -2.848 5.040 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 10.677 -12.317 -13.442 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 7.171 0.969 3.880 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 -8.415 1.916 0.213 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 8.276 6.244 -1.260 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 -3.446 9.480 1.753 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 0.308 -2.611 -1.529 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 2.845 15.954 8.316 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 12.430 -7.441 0.932 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 -0.076 -3.088 1.744 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 -0.755 -0.854 -4.949 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 7.503 2.412 -14.390 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 5.143 2.093 -2.088 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 -2.321 -2.985 4.417 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 9.719 -6.330 -8.915 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 2.200 -1.031 -2.090 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 -12.749 23.744 3.764 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 14.470 -26.525 -4.020 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 -2.151 -1.139 -2.522 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 0.330 11.180 -12.352 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 -16.070 -4.382 -5.234 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 -4.788 2.230 -0.807 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 1.951 2.493 1.889 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 15.223 0.320 0.798 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 -2.211 2.633 -1.162 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 -2.104 -2.632 -0.935 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 -11.869 -2.155 -3.556 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 -1.196 -3.165 0.482 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 -9.793 -20.906 -4.994 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 7.156 9.299 -1.682 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 4.478 2.152 2.137 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 24.861 -21.756 9.016 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 -16.139 26.116 0.972 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 0.068 -5.111 2.673 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 -5.900 20.682 -19.418 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 -18.304 1.367 15.618 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 9.618 -4.758 6.701 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 4.164 -8.886 16.881 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 10.737 -10.716 11.336 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 -2.926 8.283 -3.383 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 -0.432 -0.541 0.007 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 -11.250 10.078 0.444 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 9.905 10.539 -0.038 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 4.314 7.362 20.492 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 -9.329 3.514 1.355 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 -1.440 3.070 13.311 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 0.527 2.103 -7.544 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 -19.222 -10.633 13.541 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 -4.270 -1.878 -0.548 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 39.287 -5.932 5.048 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 14.156 7.674 -18.625 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 -0.719 -2.361 -1.092 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 -8.470 9.878 1.780 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 9.782 -1.643 2.933 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 -1.203 -3.980 1.376 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 8.197 3.156 -3.749 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 -2.760 -4.733 2.295 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 -5.166 -2.527 -4.887 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 -10.025 -12.712 11.385 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 -9.202 -8.819 -5.802 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 4.321 -0.038 -3.241 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 8.157 -2.778 -4.458 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 3.268 -0.733 -4.681 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 -3.131 2.950 -3.713 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 11.377 -2.737 -11.254 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 -1.535 4.184 13.736 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 0.276 0.485 -0.963 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 -2.019 25.224 3.857 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 -25.452 -5.305 -3.386 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 -2.370 1.579 -0.367 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 1.562 -8.257 -4.085 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 -11.572 7.975 -6.494 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 -2.454 0.126 -4.404 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 14.590 -15.837 18.535 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 -10.115 -5.806 -6.315 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 4.657 -2.754 -2.081 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 38.779 -13.330 4.700 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 -11.225 -12.350 -8.947 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 -5.390 3.045 4.715 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 0.383 4.025 -0.688 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 9.321 3.706 1.433 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 -2.062 2.812 -2.109 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 -15.851 -33.819 -7.697 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 3.453 13.099 1.852 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 -0.060 -2.833 0.128 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 18.755 25.873 4.257 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 4.176 1.034 -1.035 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 0.362 -2.303 -1.350 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 8.705 -8.171 -11.197 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 0.255 14.409 -12.758 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 1.221 -4.184 -2.206 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 18.207 8.342 -6.681 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 -1.410 -2.035 1.978 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 -2.152 0.504 1.455 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 -2.379 -14.715 -22.140 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 -5.303 10.560 -4.793 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 1.580 -4.032 0.436 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 -3.720 15.905 0.213 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 0.319 1.800 0.163 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 2.542 3.461 0.800 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 1.309 6.573 -28.484 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 16.782 8.015 -5.860 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 -1.150 -0.213 4.810 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 13.607 4.295 -5.631 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 -24.245 15.275 12.308 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 -2.126 1.662 -4.290 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 -0.639 1.929 0.197 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 -0.751 3.053 -6.584 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 2.959 10.178 3.001 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 -11.503 -15.470 12.483 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 10.537 6.552 26.683 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 2.001 0.733 10.201 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 -6.655 8.399 -16.836 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 -4.665 -0.248 -0.141 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 -1.420 -2.524 1.712 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 -2.552 1.693 -26.859 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 -42.305 -5.699 -2.645 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 -6.458 3.477 4.573 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 13.967 15.090 2.008 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 -0.216 -8.730 -2.104 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 -7.486 1.681 -0.166 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 -3.612 3.592 -11.703 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 -5.287 2.873 14.145 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 3.119 -0.938 -4.179 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 8.834 -16.781 29.541 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 -2.963 13.018 -1.866 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 0.146 8.996 -0.001 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 0.484 7.903 0.557 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 10.941 -1.554 15.901 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 -0.030 2.884 -3.294 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 -3.797 4.628 -21.051 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 12.390 9.165 2.554 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 -2.327 8.657 0.060 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 -14.106 13.317 0.641 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 0.694 -0.393 -7.983 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 -4.576 6.338 2.655 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 15.140 -14.357 -15.811 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 13.644 5.587 20.356 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 -7.636 3.665 -2.479 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 -5.232 12.874 9.676 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 -1.181 -2.932 -4.379 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 1.054 -2.887 -0.049 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 -11.227 -0.606 -0.182 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 26.819 -0.551 -11.489 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 -3.919 -2.403 2.208 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 -30.205 -5.203 -2.895 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 -2.699 4.289 9.305 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 -2.600 -2.063 -5.111 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 -8.573 18.308 -1.656 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 14.875 -14.958 2.143 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 -5.848 1.892 4.926 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 -6.272 0.161 7.234 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 -5.312 1.283 0.172 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 5.911 2.790 1.542 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 9.726 -14.006 26.158 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 -3.001 1.440 -10.065 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 -4.201 -8.202 -5.139 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 0.333 -32.276 7.487 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 -10.271 -11.648 13.943 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 2.931 4.730 -0.188 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 4.179 -0.636 3.814 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 -9.154 11.784 9.473 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 -5.742 1.307 0.234 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 -10.515 10.875 -8.314 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 -8.689 8.864 -4.674 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 -3.481 -3.568 -5.693 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 -14.927 -9.650 -4.528 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 19.386 5.331 10.994 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 5.698 -0.546 0.247 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 4.740 -4.628 -7.023 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 3.104 -9.819 -18.670 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 -0.045 1.555 -0.213 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 19.410 -15.232 1.226 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 4.620 25.738 16.061 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 6.464 -3.004 10.851 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 5.876 -16.093 11.477 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 -2.855 0.488 1.205 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 7.010 -0.999 3.174 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 -0.912 -7.783 -19.225 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 -1.012 23.722 6.423 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 2.771 0.933 5.217 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 -22.370 -12.298 19.232 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 -12.341 20.532 -19.460 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 -4.662 -3.541 0.335 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 -4.689 16.830 22.556 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 -24.261 5.400 -15.193 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 -2.454 5.584 -3.781 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 -17.608 3.250 -8.231 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 -4.851 -5.830 -8.930 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 -1.367 3.785 0.326 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 -7.025 -2.273 -19.591 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 20.290 10.338 6.828 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 6.410 0.510 0.262 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 5.942 3.472 -2.394 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 4.036 8.271 7.295 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 1.412 -1.946 -1.293 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 19.841 -8.976 8.448 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 2.725 -3.540 -4.231 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 1.770 4.279 5.243 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 -3.803 -6.733 4.141 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 11.224 -10.833 18.793 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 2.745 -7.379 0.484 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 24.468 1.720 -26.298 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 -5.062 -7.825 -10.972 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 -1.082 -3.377 -2.656 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 -9.836 8.219 30.103 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 0.033 -15.221 22.772 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 1.153 1.842 -4.221 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 2.493 -4.633 -5.157 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 12.855 6.645 -7.110 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 0.524 2.289 0.052 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 -8.906 17.838 4.362 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 16.382 -10.471 -9.417 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 4.455 1.113 4.095 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 14.651 0.312 -9.037 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 -2.631 -3.610 19.303 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 -0.741 0.247 -2.777 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 -29.148 -7.056 -1.233 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 -11.041 -12.734 2.742 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 -0.315 2.687 -3.411 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 -4.788 10.407 9.747 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 5.057 -2.759 -16.645 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 1.551 2.725 3.327 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 5.715 -1.826 5.661 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 -1.283 -11.517 0.283 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 1.370 6.218 1.524 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 6.534 2.269 9.350 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 8.786 1.010 12.495 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 -1.136 -7.458 3.217 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 -6.876 -10.887 6.865 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 5.514 -9.798 3.313 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 -4.344 -8.576 1.398 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 4.426 0.291 0.876 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 2.225 1.656 -7.757 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 4.009 -0.823 -8.841 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 9.241 3.525 -15.099 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 -8.130 13.452 7.440 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 -1.488 0.842 -0.100 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 6.477 -2.524 -4.627 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 9.496 -3.788 -6.119 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 3.201 4.150 -2.257 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 1.313 16.975 -30.115 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 19.633 17.199 -14.295 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 -1.099 -1.128 -3.560 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 -4.961 -6.933 3.724 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 4.673 6.815 0.313 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 4.523 -5.498 0.296 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 16.320 -7.407 4.591 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 -12.682 -0.637 -4.040 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 2.167 0.357 3.272 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 -10.900 0.764 8.897 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 -6.621 -6.528 -3.978 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 -1.059 0.542 4.274 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 -8.511 3.388 5.314 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 -3.319 0.485 2.042 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 0.981 -3.903 3.181 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 4.437 14.813 -1.732 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 32.426 10.869 25.815 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 1.711 -1.919 -0.016 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 -11.655 -16.211 -6.725 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 15.111 5.948 10.875 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 1.472 1.928 -1.004 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 -2.460 -3.938 -6.818 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 0.443 2.173 -0.049 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 -0.808 -0.937 -3.473 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 6.517 -8.487 -7.988 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 -4.762 7.570 -2.814 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 -3.649 -0.913 -6.779 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 12.435 -10.124 12.006 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 -0.080 7.844 33.142 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 7.817 2.451 0.156 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 -2.907 3.167 0.359 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 4.449 -9.511 -4.668 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 -1.207 -1.399 1.723 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 7.621 -29.155 -30.180 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 -13.185 -2.457 6.613 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 5.538 2.869 2.334 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 -21.989 -1.090 4.278 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 -39.585 -19.056 -8.360 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 12.836 -0.950 3.922 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 18.314 -5.490 17.833 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 9.049 7.050 6.922 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 -2.062 -1.841 0.055 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 11.291 12.103 4.223 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 -20.287 7.564 -0.365 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 -3.786 -4.366 2.006 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 -1.582 -4.223 3.632 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 -2.743 6.799 -1.658 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 -0.281 -0.234 -0.639 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 7.911 -1.327 -0.390 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 -9.870 -6.480 3.791 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 5.309 -3.639 0.131 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 7.069 -27.311 -13.151 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 11.774 16.262 17.246 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 0.654 -3.753 4.315 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 -18.709 -3.337 1.478 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 -17.402 -0.431 11.603 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 -0.020 -2.236 -3.090 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 8.652 -14.350 -1.353 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 16.113 13.650 13.160 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 -2.065 2.325 -0.628 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 -27.256 0.756 1.822 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 -20.623 10.715 -22.169 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 -5.951 -4.381 2.997 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 8.440 -0.539 -4.025 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 -16.143 9.523 3.938 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 -0.140 -2.213 -2.718 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 6.020 26.551 -1.428 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 -29.032 -7.767 -5.452 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 1.083 -8.367 -4.530 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 -7.137 -2.741 5.551 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 1.230 -5.547 -1.050 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 0.961 0.375 4.521 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 0.831 -1.935 6.699 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 2.686 0.430 7.032 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 -6.802 -2.481 0.200 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 -4.172 0.405 -0.820 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 4.545 2.274 1.763 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 -4.977 -5.452 -5.848 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 -12.002 44.394 -1.519 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 0.769 -13.224 -1.355 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 -0.252 -5.355 6.024 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 1.105 -4.712 1.362 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 6.167 -4.273 -6.305 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 1.755 -5.819 2.221 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 0.694 -0.876 3.444 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 0.441 -3.144 -1.344 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 -0.161 4.938 -5.831 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 -8.171 -15.108 -13.343 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 -0.925 3.332 16.626 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 2.123 -3.487 -0.346 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 4.136 -12.942 -11.904 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 11.561 -28.883 -17.036 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 0.315 7.298 -0.820 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 -26.603 -20.702 13.190 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 1.030 -5.824 -3.341 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 1.232 -1.037 -1.020 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 17.752 -6.080 1.719 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 -3.388 2.844 -10.151 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 3.534 -6.454 -0.941 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 3.105 -19.038 -7.421 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 -0.044 -4.387 3.076 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 -2.118 -2.696 4.756 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 5.450 1.074 5.928 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 -14.015 -4.698 5.629 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 1.840 1.550 -4.676 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 6.183 3.873 -17.238 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 -4.713 -4.406 -1.737 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 5.533 -1.166 2.311 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 21.536 0.945 -1.530 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 -6.438 6.852 2.083 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 -4.059 13.254 0.652 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 4.044 -16.018 6.757 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 -1.083 12.044 5.321 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 -6.952 -4.544 0.066 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 1.664 2.225 3.584 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 -22.969 -21.165 2.889 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 -5.247 -8.833 3.773 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 -6.117 6.171 7.320 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 -23.074 -18.145 23.523 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 -3.680 0.249 -2.956 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 -7.679 13.310 -4.236 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 8.888 -4.089 9.068 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 -2.449 2.265 5.801 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 -3.587 -9.404 -34.556 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 0.045 -0.473 11.017 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 1.097 -1.513 2.667 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 1.829 -3.237 0.188 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 -1.871 -5.153 -19.680 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 0.924 -2.907 -2.638 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 0.170 -6.883 21.516 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 2.006 8.785 6.178 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 7.899 0.863 -5.367 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 -13.642 12.244 -18.530 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 6.566 11.705 -4.573 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 -4.557 0.211 3.040 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 -3.202 2.901 -5.682 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 -1.243 3.735 13.319 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 -1.635 1.334 3.374 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 -7.018 1.368 -9.254 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 0.403 -6.785 16.647 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 1.501 1.760 4.952 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 -17.180 -9.781 -12.226 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 14.764 2.426 3.225 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 -4.338 0.437 9.039 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 2.086 17.455 -7.229 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 11.346 -16.372 -10.714 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 -1.941 3.967 -2.816 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 -8.296 -9.471 0.760 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 0.192 8.308 -4.774 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 -0.236 -0.893 2.103 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 -18.651 14.250 6.742 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 11.807 -11.162 -9.328 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 -4.630 -1.888 5.498 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 4.903 16.052 6.474 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 4.318 -5.111 -5.757 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 0.936 -3.556 -4.486 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 19.439 18.051 -5.764 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 2.806 -6.813 9.078 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 -0.798 6.094 -0.949 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 0.499 13.642 -4.413 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 13.926 -6.685 3.833 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 -0.689 1.611 -5.050 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 -5.808 15.352 -7.443 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 9.653 1.685 -15.873 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 0.544 1.179 -1.926 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 0.875 5.501 23.872 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 -23.312 -10.980 27.088 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 -6.054 2.845 1.876 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 2.282 5.164 5.517 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 -8.223 0.348 10.950 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 3.800 3.108 3.097 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 12.950 -5.924 6.320 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 13.062 -2.468 -0.468 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 -4.907 -1.037 -3.580 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 8.284 -5.562 -12.919 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 -8.551 14.697 -5.131 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 -0.603 -2.180 0.713 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 -5.749 -4.645 -15.184 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 -20.208 0.805 -5.602 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 -2.322 -2.122 2.684 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 4.470 6.669 17.061 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 2.285 1.490 10.637 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 -7.542 -4.494 2.886 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 16.463 15.862 12.215 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 3.433 3.802 4.357 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 -0.813 1.714 -1.064 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 -13.620 7.072 -10.551 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 21.060 -4.340 13.999 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 -4.757 1.514 3.119 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 9.078 19.745 5.875 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 -15.776 -0.139 -18.905 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 -0.055 -7.336 -4.688 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 12.769 4.304 -24.698 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 16.093 2.703 16.565 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 -1.779 -1.338 9.170 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 4.264 17.303 12.364 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 1.229 -6.843 8.313 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 -6.639 4.094 10.001 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 -18.155 7.190 7.814 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 -0.490 14.767 5.727 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 -0.420 1.940 -0.877 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 3.345 0.185 -1.976 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 -15.203 -9.701 2.962 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 1.102 7.740 -0.948 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 7.445 10.787 -10.305 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 -4.716 6.697 -23.771 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 -2.517 -3.826 -1.720 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 23.161 12.128 -10.196 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 27.636 15.049 -6.414 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 -0.157 0.884 0.744 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 29.197 -22.251 -6.454 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 1.549 -2.059 4.516 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 -3.504 2.035 -5.882 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 2.833 -14.523 -11.471 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 -0.920 6.956 4.300 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 0.735 1.348 -6.080 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 0.963 -3.260 -12.068 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 8.749 21.971 48.294 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 -1.155 3.823 -2.425 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 -1.276 1.713 -0.796 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 0.933 0.452 2.580 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 -3.341 -0.924 -2.218 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 16.061 2.418 8.641 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 -1.950 -2.368 -1.599 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 2.607 6.401 -3.748 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 4.344 2.947 0.698 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 2.491 -1.113 -8.588 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 -6.280 -6.637 0.106 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 4.570 -21.607 15.472 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 4.582 -19.314 12.258 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 6.620 -2.684 2.328 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 -10.527 -2.628 -1.700 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 4.804 2.450 6.091 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 5.465 -1.422 -3.513 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 10.383 -8.436 -10.730 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 -1.151 2.165 -0.342 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 0.121 2.168 -4.832 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 5.436 -17.440 -19.023 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 21.919 2.155 8.685 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 -6.950 -0.727 -0.221 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 -2.387 -1.755 -0.385 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 -2.218 2.598 5.628 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 2.452 -5.485 -2.373 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 2.509 -5.427 -1.744 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 -7.558 -27.465 0.766 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 -1.234 7.904 5.846 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 5.410 -6.014 -12.366 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 2.058 -14.653 8.226 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 -0.339 -2.499 -0.594 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 3.265 -1.935 2.996 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 -7.249 -9.930 -16.131 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 0.015 5.041 3.822 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 10.653 0.419 -0.609 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 -0.120 3.822 -9.751 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 -0.565 -3.446 -3.260 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 1.790 -11.890 -1.278 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 -2.261 14.301 7.589 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 1.853 -4.490 -0.548 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 -11.942 27.641 -19.189 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 7.348 -0.080 -0.311 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 -7.180 -3.477 -8.625 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 -2.044 -8.953 0.124 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 -39.242 -0.253 -4.430 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 0.483 3.211 3.647 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 -13.912 -6.441 0.395 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 -6.116 -2.065 9.772 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 1.465 -0.678 -0.948 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 3.691 -4.438 -5.575 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 0.752 11.500 -3.261 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 -2.209 1.166 1.893 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 15.167 -5.878 -2.888 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 -0.084 -8.086 2.689 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 -4.384 0.633 8.713 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 0.560 -9.422 -11.217 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 8.826 3.235 -12.285 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 -0.410 1.643 -6.071 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 -12.527 -10.212 -4.697 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 8.584 16.008 11.147 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 -0.027 -3.375 0.571 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 5.424 -13.354 13.749 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 10.511 4.021 2.223 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 -7.003 -1.813 -2.266 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 -6.425 21.255 -12.530 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 -3.326 24.052 1.541 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 -4.450 1.883 2.732 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 2.425 -38.523 10.874 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 0.983 -26.774 13.077 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 -2.865 1.943 1.373 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 0.787 -6.404 8.253 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 -12.244 -17.025 11.078 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 0.314 -2.222 2.198 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 -4.520 9.157 -18.390 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 3.110 15.345 -10.101 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 -5.633 -1.895 4.261 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 2.167 -0.337 -0.966 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 -18.515 -2.044 7.246 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 -3.967 3.586 2.428 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 0.439 -2.383 2.782 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 -1.242 -1.384 -6.101 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 2.306 -3.583 -1.123 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 3.548 -12.536 11.273 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 0.774 27.593 1.145 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 -3.327 0.366 1.677 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 -13.805 34.684 -18.621 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 5.209 -10.864 2.317 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 3.898 1.600 -2.296 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 7.045 27.370 5.069 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 8.560 -2.886 -23.294 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 8.442 -1.176 3.267 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 16.220 -15.769 -6.637 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 -10.846 -4.198 2.082 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 0.390 2.710 -2.331 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 -4.441 -24.545 11.397 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 6.248 12.601 -3.091 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 -5.298 0.020 -1.053 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 -11.941 -0.736 -28.762 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 -26.311 8.630 3.695 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 -6.855 -3.176 -3.266 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 7.846 1.535 -3.170 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 10.459 25.053 12.711 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 -4.899 -4.854 -8.639 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 1.735 12.481 -3.349 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 9.167 -6.474 -5.554 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 -1.231 3.531 2.135 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 -35.855 11.609 -8.473 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 31.452 8.639 -21.363 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 -4.595 3.118 -2.647 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 -2.316 4.357 -4.996 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 -14.194 1.413 0.120 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 -4.737 -4.131 -2.563 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 -2.314 -11.736 -8.345 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 -0.889 -2.467 10.976 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 -0.193 2.520 3.010 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 16.820 -8.787 -31.847 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 2.769 3.820 1.330 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 -0.924 2.946 4.893 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 -13.094 -16.420 17.312 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 -17.795 -10.262 -14.127 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 3.600 -3.374 -1.031 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 -1.736 3.615 6.659 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 20.009 -17.634 4.854 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 0.105 -0.305 1.331 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 -1.796 -1.427 -0.344 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 -2.910 -2.107 -1.596 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 -2.897 -2.635 2.103 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 -0.630 -15.578 -14.446 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 -16.288 -16.307 -17.608 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 -0.250 2.854 -8.443 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 8.281 4.333 -13.216 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 -2.979 6.232 2.242 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 1.498 9.223 5.471 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 12.142 1.205 6.534 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 17.703 -6.328 10.257 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 3.630 -2.959 -2.040 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 -8.788 17.185 38.652 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 -18.680 1.029 11.187 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 1.875 0.505 -2.893 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 -1.101 12.534 -8.909 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 -7.680 3.084 -8.637 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 -2.475 3.566 6.161 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 6.391 -9.878 9.215 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 7.673 11.839 8.473 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 -0.108 -3.402 -1.040 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 6.862 -20.755 6.117 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 5.412 -12.966 -3.642 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 -4.459 -0.039 11.405 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 5.259 11.264 9.714 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 -10.781 8.125 18.672 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 3.589 -1.775 10.948 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 3.222 -1.578 11.970 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 29.167 -14.387 4.291 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 -1.871 3.608 3.246 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 9.102 -5.702 1.638 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 -19.022 -8.810 6.666 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 0.310 -1.198 6.163 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 1.529 1.920 2.394 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 -32.436 -6.478 12.096 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 1.044 1.347 1.396 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 2.052 -1.908 1.136 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 1.496 -21.265 16.290 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 -1.896 0.804 -0.841 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 -4.211 -1.021 -14.881 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 -4.539 1.123 -7.898 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 -2.495 -3.621 1.455 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 -0.336 -1.178 11.962 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 7.511 0.699 -2.821 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 4.042 -2.218 -0.902 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 -1.203 3.286 -24.749 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 3.014 -1.566 -3.380 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 -2.274 2.039 -2.651 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 -14.943 -12.648 2.906 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 0.039 8.962 21.271 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 -0.846 1.548 -1.735 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 2.956 -35.758 2.305 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 -0.599 -5.736 -8.359 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 -4.327 -0.008 2.016 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 14.841 -6.800 -7.677 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 -6.218 -7.318 21.309 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 -2.491 0.935 -1.584 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 -25.054 -24.519 21.813 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 -0.942 -12.950 14.593 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 -4.740 -2.315 -3.558 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 -10.500 16.329 6.438 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 -15.947 -17.432 -5.063 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 3.059 2.549 -5.006 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 12.017 -13.322 2.572 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 -12.039 7.130 3.416 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 -2.773 -7.282 -3.193 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 -23.043 -5.544 2.190 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 2.213 14.235 -13.957 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 0.173 0.558 3.756 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 -9.857 34.066 -15.377 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 5.824 16.172 -6.897 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 -2.722 -3.729 -2.282 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 9.896 14.103 -9.838 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 13.285 -15.480 4.390 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 -3.066 -10.114 -4.989 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 -2.319 -8.911 8.372 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 -15.675 12.780 1.858 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 1.529 1.110 0.491 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 -4.555 -19.357 2.744 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 12.665 10.544 6.516 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 9.733 -1.890 -3.735 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 8.638 14.596 -0.149 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 15.959 -10.959 2.768 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 2.016 -4.049 -3.860 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 6.201 -0.681 -6.094 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 -4.322 -14.427 7.299 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 -6.703 1.689 -6.154 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 -8.473 4.844 11.191 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 -10.445 5.636 -16.622 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 -0.144 -13.114 -0.751 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 5.346 -4.802 -2.965 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 -27.233 -9.115 9.322 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 1.740 -0.780 5.434 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 -34.802 -1.033 19.011 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 -6.496 0.549 8.056 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 -2.703 5.097 -0.146 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 14.400 -0.519 13.661 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 7.506 -9.602 5.846 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 5.913 0.327 -5.488 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 -7.996 -11.898 -3.534 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 12.013 3.829 -8.755 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 -2.069 3.382 2.750 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 -0.144 12.158 6.394 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 -14.163 -5.839 10.890 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 2.829 2.893 4.713 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 -6.308 3.749 9.328 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 27.317 -15.057 -12.614 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 -9.330 -5.693 -2.157 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 -7.641 -5.720 1.157 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 -8.313 -1.134 1.273 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 -1.424 2.068 -2.693 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 9.060 10.143 -4.762 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 10.731 -2.631 -3.498 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 -7.876 2.264 -2.540 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 -7.061 -2.335 -2.386 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 -8.407 10.435 -2.225 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 -1.005 1.088 -11.692 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 -20.933 2.974 -0.044 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 -14.776 1.641 -6.080 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 2.429 -6.449 9.547 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 -6.373 4.362 9.812 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 -0.856 4.733 12.689 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 1.095 2.419 1.194 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 8.327 6.330 12.338 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 12.288 10.974 -9.406 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 2.422 -1.623 -4.837 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 4.077 -12.229 9.799 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 8.963 -20.266 -13.026 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 -4.106 1.008 -0.453 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 -8.927 12.485 3.584 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 -0.976 -23.542 -7.008 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 -5.418 -2.780 0.314 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 -5.630 -6.849 0.472 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 2.671 -11.326 1.076 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 -4.158 0.594 -0.219 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 -10.806 6.432 -19.168 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 12.270 13.078 1.183 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 10.168 -0.766 7.193 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 1.682 3.798 4.525 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 7.741 -8.881 10.978 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 -4.599 -1.341 3.211 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 3.859 19.101 -3.203 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 7.496 9.634 20.597 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 4.393 3.371 0.596 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 5.220 2.447 1.902 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 5.213 3.523 0.763 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 0.603 -0.586 -7.643 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 3.478 -5.362 -5.872 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 8.328 -8.464 -3.863 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 7.498 0.067 0.890 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 15.166 16.506 -3.944 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 4.712 3.972 -10.355 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 -0.293 2.938 -1.912 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 3.983 2.507 0.274 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 2.507 -2.390 14.311 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 2.663 -8.414 6.574 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 14.474 23.192 -2.760 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 6.966 -8.773 28.277 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 2.699 -0.272 0.033 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 10.777 14.988 3.289 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 -8.902 1.717 -7.103 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 1.273 0.375 2.111 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 -5.933 -16.379 -12.744 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 7.206 23.116 -11.647 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 -0.176 3.976 5.648 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 -5.314 1.378 7.127 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 22.120 30.870 2.862 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 -2.051 -0.659 -2.014 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 -0.612 0.966 1.029 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 6.134 -18.568 -5.786 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 -7.132 -1.322 0.569 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 0.026 2.227 4.240 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 -42.082 -10.773 -8.997 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 -4.474 2.955 1.845 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 -5.679 4.607 -7.999 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 -3.431 3.756 -24.301 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 -2.103 -2.545 -2.886 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 -0.563 5.275 -4.668 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 0.598 -6.954 11.916 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 5.127 0.991 3.360 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 3.811 0.979 1.804 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 -5.688 2.546 -2.557 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 -0.237 4.020 0.462 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 8.150 17.948 -11.593 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 -10.851 16.699 9.507 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 -2.870 0.406 -2.530 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 10.018 1.450 1.714 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 -12.944 -6.755 -13.457 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 -7.764 -1.571 4.678 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 -6.007 7.882 2.323 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 -9.880 6.211 2.939 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 3.482 -2.366 0.064 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 6.053 2.153 -10.641 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 -15.071 25.104 9.331 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 -1.250 2.058 -2.495 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 -11.410 19.668 -0.176 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 -1.787 2.065 -2.095 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 0.777 -2.473 -1.173 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 -0.726 -3.094 -2.265 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 -2.411 4.845 7.191 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 -1.524 5.429 4.835 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 -1.346 10.376 7.608 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 -3.894 11.944 6.908 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 -2.287 9.951 0.605 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 -9.268 11.999 -5.035 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 1.243 3.541 -0.295 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 -2.293 4.802 4.363 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 -18.132 -5.681 17.166 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 3.274 -5.543 14.290 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 0.037 3.031 4.580 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 -17.459 -4.236 15.834 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 -27.105 -7.256 17.972 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 2.351 -3.532 -3.093 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 1.804 -27.590 -6.180 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 -1.571 12.973 -1.044 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 -6.859 -0.107 -4.224 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 0.097 -2.406 -0.090 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 -7.040 7.215 -13.551 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 4.765 -3.124 -1.674 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 -10.248 -1.028 -4.159 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 -21.880 3.232 -2.553 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 3.636 3.100 0.497 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 -0.935 3.384 -3.739 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 2.652 5.520 5.069 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 -1.298 -2.454 0.809 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 0.068 -0.169 -11.066 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 -20.059 9.715 -21.117 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 5.224 -5.595 4.108 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 -0.388 -11.871 5.507 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 -7.468 1.404 -5.602 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 -6.309 2.996 -2.898 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 -8.375 1.265 -5.202 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 -2.843 -0.272 10.557 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 2.730 -0.112 2.186 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 -18.190 -6.325 3.971 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 1.833 3.544 -1.856 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 -5.177 1.281 3.237 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 -11.280 -23.518 -4.195 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 -11.092 14.432 49.245 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 1.125 0.828 -0.516 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 16.800 -27.062 1.743 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 5.128 -9.225 -18.710 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 -2.443 0.585 -4.647 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 2.707 4.669 -2.684 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 -9.822 -3.459 3.429 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 4.265 -7.378 4.298 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 -20.567 14.384 -10.117 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 15.907 -11.778 9.337 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 1.328 -1.037 1.278 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 -5.230 3.455 -11.379 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 -4.330 2.294 -13.534 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 9.175 -0.262 3.103 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 -5.226 20.263 13.188 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 22.180 5.132 -12.810 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 11.345 0.303 -2.114 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 1.634 13.543 13.677 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 15.930 10.784 -9.969 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 -2.243 -0.720 0.272 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 4.593 -2.389 13.435 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 5.950 -13.764 -7.891 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 4.286 -1.590 -0.520 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 -1.893 18.165 1.169 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 -9.501 -7.297 11.260 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 -4.154 -1.630 -5.588 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 -5.775 9.345 -19.915 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 -8.244 -3.799 -0.491 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 -2.164 4.465 1.005 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 -6.801 16.581 22.840 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 4.459 10.388 -10.079 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 -0.031 -7.194 -1.326 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 -4.315 -7.010 22.870 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 -13.181 -0.140 -16.138 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 -4.757 3.183 4.556 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 12.074 1.986 -5.642 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 3.833 8.668 -8.994 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 -0.081 2.847 -1.317 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 9.155 1.895 11.930 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 -0.083 -10.292 -10.857 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 -1.351 -0.170 6.300 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 -5.679 0.162 1.738 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 -4.483 10.325 13.974 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 1.324 -1.094 -0.772 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 25.213 2.501 4.446 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 -2.431 -11.423 20.342 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 -11.188 -2.220 -7.148 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 -6.440 -24.702 12.071 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 9.563 -4.219 3.098 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 2.500 -2.841 3.446 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 -0.100 -1.798 9.137 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 -9.158 3.885 -18.927 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 -5.915 2.876 -0.795 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 -5.251 -2.521 -4.089 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 -12.921 0.869 -2.423 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 -3.050 3.468 -2.937 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 17.736 9.587 6.844 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 1.594 -8.384 -1.737 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 -3.620 -2.602 -1.436 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 -16.391 5.405 3.320 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 -6.272 8.468 0.772 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 7.691 -0.841 -4.397 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 9.304 -5.151 -3.223 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 0.097 -1.965 -4.040 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 -8.763 -0.982 3.241 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 -2.511 -13.073 -12.078 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 -21.390 -6.020 19.591 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 1.177 -1.185 2.151 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 -9.212 -3.853 -16.541 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 12.227 -15.343 -7.532 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 -0.049 2.476 -0.751 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 2.528 53.947 -10.473 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 2.388 -8.489 6.490 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 -3.507 3.695 -0.747 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 -13.457 5.913 -8.205 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 17.312 5.634 -5.279 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 4.649 1.653 -4.838 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 7.980 -0.342 -10.312 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 18.441 -5.424 -44.027 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 1.068 3.037 2.415 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 -23.197 9.293 -17.766 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 8.367 9.031 4.018 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 -1.048 -0.931 5.804 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 -8.216 -0.945 0.645 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 7.028 11.234 5.894 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 1.727 -1.729 -4.543 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 -7.797 0.629 -17.521 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 5.695 -8.639 13.318 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 -4.056 4.368 -0.499 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 -11.708 8.460 -8.182 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 3.245 -7.018 6.064 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 -5.579 6.974 4.550 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 -2.398 -1.660 8.113 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 -1.491 -4.746 9.818 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 -1.583 8.299 -4.383 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 -3.991 1.703 -15.678 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 5.810 -2.735 -1.133 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 -5.248 -2.802 1.610 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 -17.554 -15.284 28.462 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 10.526 -13.279 -6.449 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 -5.378 -1.681 -3.101 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 -22.129 9.292 11.123 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 -5.009 6.320 11.243 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 8.739 -3.937 -4.243 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 -4.476 19.223 16.946 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 4.262 11.153 -37.952 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 2.889 -0.235 7.026 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 -2.212 4.762 16.058 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 -2.745 4.249 -7.881 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 -6.468 1.507 3.071 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 11.581 -4.370 7.459 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 14.384 -5.243 8.155 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 5.786 -4.025 1.717 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 -3.336 -10.407 -9.495 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 12.490 -16.788 9.404 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 0.501 -0.399 3.936 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 3.355 17.740 9.633 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 -15.871 8.841 -6.613 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 -1.732 1.938 -2.196 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 27.263 23.853 -9.866 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 -2.791 -39.345 2.389 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 -0.040 2.432 -3.404 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 13.266 6.584 -23.549 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 -13.240 15.947 -5.932 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 -2.632 -5.830 -0.683 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 -17.685 -5.386 4.741 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 -12.424 -2.926 -16.862 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 -4.370 5.958 1.218 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 -9.548 -5.668 -13.060 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 -4.060 7.285 2.871 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 -7.004 0.142 3.386 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 3.514 -5.899 8.777 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 3.086 -1.650 -11.343 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 0.276 -5.637 -1.158 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 13.013 3.187 -15.467 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 -1.578 -14.198 11.487 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 0.076 0.032 4.849 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 -0.733 -12.261 18.040 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 -28.126 2.860 -21.555 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 -8.800 3.005 2.722 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 9.380 -5.878 -13.578 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 6.025 -2.010 -15.716 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 -4.466 -2.724 0.555 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 1.705 12.969 -11.810 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 -1.657 -1.433 27.767 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 1.401 3.769 -3.248 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 -2.751 1.871 -2.100 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 10.918 7.669 9.889 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 1.850 -3.688 -3.377 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 23.037 -34.731 2.594 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 15.882 13.821 -23.425 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 0.633 -1.103 -4.539 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 7.180 14.963 -7.116 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 -0.907 -6.210 -3.959 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 1.768 1.225 2.589 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 -12.074 -1.948 -6.956 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 9.033 -13.804 10.154 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 3.516 -1.125 3.586 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 10.360 11.594 -4.867 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 2.994 -18.314 14.631 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 -6.267 -4.844 -3.510 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 1.924 -1.056 4.702 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 -17.622 -14.168 -0.518 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 0.214 -1.608 -5.090 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 -14.022 -6.485 2.787 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 9.655 -7.879 -5.742 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 -7.245 2.728 -2.464 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 2.367 0.198 -2.503 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 1.851 13.753 10.909 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 5.270 6.076 -0.556 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 -5.431 2.207 4.968 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 14.750 9.940 -1.590 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 4.001 0.338 -9.016 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 -17.726 2.650 -8.290 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 21.468 -2.672 -10.778 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 -2.630 1.033 2.188 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 -8.457 5.574 7.431 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 5.797 -2.905 -2.677 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 -0.536 -2.254 3.633 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 6.233 -4.764 1.805 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 -17.208 -2.022 0.276 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 -4.751 3.501 -1.956 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 -1.730 15.459 6.504 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 7.500 14.012 5.098 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 3.754 -2.247 6.692 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 2.896 0.113 -1.503 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 10.580 -0.224 8.382 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 3.490 -6.780 -4.043 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 -0.762 -4.924 1.322 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 -11.404 -5.887 -0.289 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 -5.363 3.109 -5.482 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 -16.160 -4.469 -22.843 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 12.930 -8.568 -4.079 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 -1.307 -0.141 3.204 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 -2.275 -2.241 -4.419 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 2.872 -7.230 9.857 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 4.088 1.802 -4.764 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 -1.016 -8.680 4.309 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 17.592 -6.795 -15.223 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 5.280 -0.137 3.297 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 10.983 18.125 -4.953 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 6.471 -9.886 -6.735 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 -1.486 -8.167 1.128 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 7.326 -17.650 8.839 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 -7.738 -10.783 1.220 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 -6.329 1.506 3.048 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 5.672 -5.969 2.774 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 2.471 -10.864 4.652 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 0.380 3.765 -2.833 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 14.292 17.251 13.560 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 -10.335 4.434 13.622 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 3.049 -6.895 -2.126 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 6.254 6.638 25.028 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 15.092 -1.875 5.836 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 3.518 -1.642 7.257 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 5.860 2.162 8.970 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 9.801 -1.600 3.662 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 -1.329 2.641 1.113 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 5.162 5.486 -1.743 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 3.116 12.148 -0.030 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 0.106 2.710 2.294 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 1.237 15.946 6.457 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 -2.422 6.951 5.297 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 2.041 1.567 0.732 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 -17.867 -18.659 23.015 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 8.865 4.523 -9.581 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 1.402 5.582 1.389 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 -2.437 -2.181 12.661 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 12.674 13.062 18.107 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 -1.882 -0.117 3.001 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 -39.643 3.009 22.516 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 8.137 21.794 10.171 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 -1.529 -0.151 -1.662 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 -1.113 9.816 -3.098 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 2.065 5.503 -2.693 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 1.049 5.200 -3.775 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 20.250 18.121 -1.936 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 6.868 -7.475 -20.770 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 2.116 4.493 -0.393 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 10.874 3.863 13.465 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 17.714 5.163 25.241 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 -1.232 0.555 1.472 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 -18.907 12.275 0.430 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 10.829 1.792 22.671 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 -6.070 4.496 0.493 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 0.376 19.936 -1.713 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 -11.197 -8.781 0.984 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 -2.440 -1.237 1.921 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 -5.622 -3.825 -9.271 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 -8.924 -0.560 -0.854 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 7.560 -4.012 -5.791 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 -9.163 -9.683 1.602 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 13.403 9.885 8.007 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 0.163 1.284 -3.786 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 -3.208 -0.995 -22.853 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 -23.432 11.345 10.883 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 0.770 0.535 -2.860 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 -33.187 3.414 -3.867 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 12.435 13.827 13.598 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 -0.442 -0.575 -9.361 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 -9.826 -12.083 -30.343 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 -12.727 -14.136 16.119 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 4.535 -0.695 -4.989 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 -2.299 7.829 -2.786 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 -20.114 9.446 -4.330 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 -3.719 0.708 -2.611 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 -4.247 -2.076 -16.259 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 -14.871 -2.171 7.051 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 6.521 -0.534 -4.526 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 8.483 -8.100 -4.952 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 -5.648 -9.591 -2.439 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 1.159 2.380 5.962 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 13.110 1.649 7.162 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 -4.484 1.867 2.500 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 -2.787 -3.729 4.170 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 37.408 4.240 -11.944 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 31.454 5.109 1.273 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 -0.735 7.786 -11.257 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 -0.305 1.825 -5.210 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 3.512 14.353 -9.273 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 -7.592 2.406 -1.424 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 1.270 3.043 -13.058 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 18.629 -38.088 17.906 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 -9.522 -0.234 1.382 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 -6.183 5.990 -9.309 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 -1.093 -2.363 3.885 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 1.540 -2.957 -0.105 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 -12.936 -16.712 -7.362 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 15.454 20.619 -3.696 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 2.156 2.082 3.541 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 -13.852 11.428 15.941 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 -9.610 -12.388 -12.443 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 1.769 -4.479 -1.733 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 11.943 -1.459 6.111 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 3.174 -8.178 -6.107 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 -1.050 -5.034 2.363 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 -0.472 -9.834 -0.735 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 -3.785 0.564 -4.210 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 2.104 4.943 0.213 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 1.814 21.999 -14.252 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 1.237 -0.922 4.531 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 -2.995 0.696 5.236 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 -10.970 8.669 3.855 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 14.267 -3.738 7.122 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 -2.165 -3.003 7.277 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 18.967 -3.016 8.172 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 -10.327 15.356 -8.439 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 0.943 6.411 -1.527 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 2.839 0.705 -20.626 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 2.090 24.939 -1.734 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 -4.369 -0.796 1.054 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 5.154 21.454 18.470 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 -34.331 -3.099 10.656 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 2.046 -0.376 2.207 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 -18.033 -0.394 -6.680 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 4.821 -16.043 6.322 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 0.128 -2.000 -5.568 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 -6.430 -0.806 -0.361 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 2.186 -3.938 -6.272 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 1.916 5.925 3.126 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 4.192 10.286 -3.716 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 4.238 10.187 -3.320 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 4.706 -1.450 -7.028 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 10.269 -4.327 5.175 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 -5.175 -10.899 6.831 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 -9.861 -2.808 4.176 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 3.622 1.144 1.609 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 -6.736 3.701 -13.229 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 0.996 3.660 -0.056 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 -38.104 -1.085 -8.701 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 2.513 -8.189 -3.843 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 -1.068 -0.567 -5.854 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 16.031 8.271 -11.320 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 -11.120 13.717 -27.688 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 -2.410 2.595 5.328 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 18.249 10.087 -7.374 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 -5.082 23.991 6.368 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 -2.115 -0.080 3.305 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 6.325 -0.319 1.581 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 -15.656 15.952 17.346 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 -0.043 -0.541 0.994 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 -1.257 1.717 -7.803 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 3.492 -2.362 23.390 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 -4.100 2.027 -2.864 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 -11.250 12.827 15.271 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 12.654 18.324 -6.413 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 -3.122 5.956 6.430 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 10.608 19.472 -4.237 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 -12.458 -11.071 -3.888 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 2.770 7.409 5.699 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 0.681 7.000 10.948 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 -16.451 1.977 26.668 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 -1.311 2.519 -1.583 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 -9.294 1.490 -16.438 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 -0.071 22.208 -0.523 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 2.341 -1.710 8.917 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 1.818 -0.263 10.996 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 -11.221 -6.664 -15.705 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 -0.234 4.388 -4.930 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 -2.833 -1.073 -4.951 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 2.193 8.450 -0.389 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 -8.631 -1.634 -1.503 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 -15.718 -7.611 22.862 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 -8.722 -1.337 -0.464 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 -8.106 -0.106 1.920 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 -7.148 5.203 -9.549 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 -9.701 -7.960 20.652 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 3.618 -1.863 -1.951 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 -9.270 15.572 1.779 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 8.715 -0.698 -16.344 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 -2.095 3.107 -2.285 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 5.208 -1.556 -30.252 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 -28.707 -9.883 -0.954 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 1.949 -1.446 -5.514 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 -2.566 -2.918 -9.375 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 10.677 -9.241 10.195 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 8.600 -2.582 -1.911 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 9.180 2.513 15.160 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 0.666 4.007 3.234 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 -9.280 -1.612 -2.359 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 -30.104 -7.673 16.463 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 -18.380 0.724 14.462 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 -1.747 -3.464 7.397 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 -1.003 11.993 14.867 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 12.475 -13.188 -11.342 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 1.960 -2.662 -0.083 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 -5.753 -7.668 7.193 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 0.495 22.063 -14.722 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 1.518 3.761 -5.607 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 30.859 -9.244 -5.752 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 -2.030 26.666 15.431 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 -3.774 2.602 -0.065 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 -16.240 3.884 -6.512 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 -6.085 8.393 -1.136 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 5.545 1.949 -1.953 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 0.006 13.823 16.138 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 -2.617 -9.147 -24.336 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 0.683 0.359 1.380 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 -1.602 5.683 -11.651 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 0.323 -1.453 -1.008 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 3.742 -6.457 6.008 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 18.940 -0.013 9.583 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 -5.742 -4.026 3.000 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 0.156 4.196 -2.375 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 -11.044 31.062 3.105 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 -3.161 0.907 6.031 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 3.213 -3.847 -5.530 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 -0.318 -8.206 -4.339 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 10.066 -4.670 -5.934 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 1.628 0.180 -8.195 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 6.810 2.008 -12.213 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 25.274 -2.292 -2.996 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 5.949 -3.234 1.125 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 -1.121 -4.321 6.069 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 11.927 -0.345 -9.849 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 -0.019 -3.773 -0.725 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 3.512 20.094 3.351 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 14.715 -11.146 -18.991 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 -1.794 1.210 1.406 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 -9.627 6.650 5.046 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 -7.646 -17.645 22.761 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 1.768 -4.726 0.993 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 27.249 9.189 16.564 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 -11.675 -1.185 -10.770 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 -3.178 -4.243 6.965 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 -17.931 -11.925 -0.208 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 3.284 19.749 -11.082 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 2.758 0.733 3.412 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 -3.846 -7.300 16.316 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 10.851 -7.039 -4.733 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 0.057 4.546 1.724 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 2.721 -1.964 2.471 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 -1.941 6.879 1.662 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 -3.197 1.699 0.764 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 17.034 2.378 9.041 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 0.690 -10.978 20.402 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 -1.824 -1.070 -9.283 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 -1.105 -1.937 -3.041 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 14.119 -4.798 -15.655 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 -1.086 -5.164 -1.178 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 -3.338 -2.689 -6.684 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 -17.926 9.411 -32.245 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 -0.403 1.722 -2.858 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 -13.710 10.878 -14.719 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 9.186 -4.271 4.226 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 2.515 -2.733 1.331 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 -10.559 -12.223 3.041 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 8.540 -16.445 -17.434 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 7.233 7.811 -7.520 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 16.659 24.541 6.026 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 10.131 -11.792 2.954 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 3.365 4.844 -1.264 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 12.319 4.024 4.298 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 27.268 7.501 6.461 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 -5.499 0.958 -6.916 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 -5.746 18.434 -4.063 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 -34.068 -6.772 -10.240 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 4.357 -2.510 1.270 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 -9.776 -6.377 -10.929 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 3.405 10.364 0.332 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 -4.028 -0.729 -4.603 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 -6.410 2.812 0.918 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 -1.656 -27.526 -19.700 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 5.622 -1.591 1.780 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 -0.746 -8.941 13.888 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 -2.781 16.982 -4.535 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 -0.350 1.425 2.954 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 14.029 -3.343 -2.674 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 -3.224 -1.042 13.142 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 -1.433 5.062 3.116 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 7.655 51.179 15.577 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 -1.475 1.125 -46.091 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 -2.339 -2.559 5.358 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 16.536 11.423 8.061 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 0.538 4.142 5.202 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 4.573 3.662 0.083 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 6.400 2.404 -14.103 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 10.656 1.421 -10.068 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 0.827 -5.488 1.744 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 -4.522 -9.218 -11.202 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 -0.968 3.827 -3.181 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 1.343 -4.732 0.667 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 -33.958 22.164 4.341 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 -17.632 13.696 -7.252 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 5.411 -0.294 -1.135 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 -0.574 -33.993 -2.998 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 10.477 5.632 11.415 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 -1.844 -0.028 -0.151 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 15.755 -5.630 -4.961 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 -14.256 -2.316 13.357 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 -0.151 8.979 -0.786 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 -4.329 13.262 3.680 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 -4.154 13.048 2.925 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 0.406 -2.154 -3.204 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 -12.037 -4.336 -0.814 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 -3.224 -0.149 -2.928 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 -1.311 2.571 -2.992 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 -11.058 20.213 -10.993 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 2.689 -22.429 -11.765 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 -4.690 -2.400 4.990 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 -37.658 2.736 23.735 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 0.544 4.000 -26.298 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 -1.554 -2.700 0.521 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 -19.033 8.304 6.887 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 3.399 2.757 -0.746 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 -4.037 -1.079 4.309 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 1.752 -15.348 -26.123 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 25.311 0.028 19.056 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 -6.187 1.121 -1.125 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 1.939 -1.533 16.478 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 6.434 -0.335 -11.979 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 -9.142 -4.102 -4.448 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 -1.914 -5.724 5.402 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 -17.182 9.616 -18.087 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 -0.851 -1.794 6.461 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 12.615 -9.001 7.674 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 -4.701 -13.164 -22.229 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 -6.214 6.147 0.524 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 0.389 1.097 -1.803 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 -7.160 18.533 -1.569 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 5.688 4.026 5.665 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 -8.500 -2.646 -13.622 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 8.338 6.035 3.473 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 4.362 5.859 -0.306 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 5.399 9.933 20.863 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 10.810 1.141 19.896 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 2.519 3.038 3.597 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 10.468 9.652 -16.133 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 -7.447 -2.633 5.627 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 0.022 0.814 1.595 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 -6.625 5.504 -17.020 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 -10.782 -11.610 1.116 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 -3.485 5.462 -6.008 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 1.304 -35.801 -23.266 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 9.527 25.132 12.054 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 -4.497 -1.911 -0.512 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 -32.692 17.309 11.643 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 19.115 -9.924 3.702 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 -1.067 1.385 -3.694 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 -0.588 9.481 0.303 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 -0.846 -12.650 -1.782 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 2.118 -1.782 -1.024 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 -3.725 -0.471 -1.708 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 5.194 -6.512 -5.959 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 4.812 -2.037 -0.502 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 -9.105 8.276 -5.579 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 -4.690 -20.613 -2.281 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 4.460 -1.008 -4.418 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 22.134 2.553 -5.918 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 2.449 -17.680 -31.332 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 -4.499 0.777 -6.334 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 -6.890 -6.097 -12.927 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 -11.979 -2.338 -11.905 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 4.421 4.911 -1.498 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 11.965 -1.634 3.811 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 -25.169 11.457 -9.898 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 -1.935 7.084 0.983 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 8.716 7.982 0.388 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 -4.423 -2.875 0.329 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 4.633 -2.137 3.651 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 7.767 4.866 21.368 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 -18.480 -2.598 18.216 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 5.497 -2.531 2.566 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 19.626 -15.725 -4.421 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 -1.499 -5.488 -26.245 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 -2.799 -2.741 1.050 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 15.922 -13.891 9.708 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 -1.004 3.536 0.092 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 6.557 3.134 -1.532 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 16.020 26.289 -1.884 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 11.463 -24.578 9.344 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 2.764 0.540 -2.058 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 9.115 -6.408 -4.250 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 0.847 -3.451 9.572 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 -0.189 -1.426 5.597 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 8.460 22.376 -5.747 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 -6.485 -12.641 -20.024 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 3.464 2.823 -4.430 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 -12.374 -2.593 -7.134 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 12.779 -8.390 13.898 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 -4.356 -1.676 0.873 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 -12.838 15.716 6.251 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 4.886 -13.051 -3.672 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 0.384 3.235 -0.783 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 12.055 -4.404 -11.344 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 10.056 -2.123 -6.988 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 3.765 10.057 2.247 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 15.040 7.128 -27.869 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 -8.768 2.223 -2.102 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 -6.624 1.520 -2.529 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 -13.033 7.206 -11.306 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 -11.662 -4.791 -6.533 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 -0.936 -1.880 -4.515 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 2.997 0.980 -5.819 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 -6.499 -0.299 -9.945 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 -0.230 1.747 8.633 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 -3.211 1.099 -2.899 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 -8.967 -21.685 -7.014 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 4.359 -9.128 -2.444 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 -12.494 -11.987 -14.247 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 10.103 0.128 -7.482 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 2.673 2.603 -5.522 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 -0.090 -2.757 -7.777 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 3.043 3.547 -5.471 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 2.345 -3.797 3.456 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 3.527 -15.155 -7.502 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 7.793 11.418 2.131 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 -4.825 4.318 -0.572 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 5.450 -33.647 -11.136 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 1.421 20.532 12.696 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 -1.365 0.001 0.262 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 23.121 6.493 9.475 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 -8.097 26.059 1.555 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 5.084 1.263 -8.050 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 12.758 12.743 -13.765 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 22.947 -5.299 -20.125 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 -1.894 1.476 -1.462 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 6.684 16.112 -8.222 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 7.479 10.865 5.112 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 0.190 -7.211 8.543 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 -1.006 -17.925 7.587 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 -3.458 -6.403 6.286 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 1.299 4.795 5.575 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 -5.694 10.813 5.437 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 5.406 14.121 -14.724 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 -1.227 -4.529 -1.227 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 -7.008 1.259 4.112 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 4.887 -0.112 -2.644 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 0.707 1.156 -3.317 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 -8.041 -15.045 3.703 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 -0.152 -0.608 -3.216 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 -0.410 0.335 0.152 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 -3.264 5.762 12.937 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 4.132 19.012 -5.216 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 4.660 -1.248 2.314 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 3.437 -1.719 1.351 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 -16.658 -5.847 -11.244 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 3.994 5.417 6.847 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 20.958 6.650 9.602 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 -7.390 3.728 2.929 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 -3.895 -8.605 -8.442 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 -8.409 -2.600 8.053 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 5.175 -5.308 -17.494 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 4.575 6.651 0.247 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 14.094 15.101 -11.329 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 -11.460 2.972 6.615 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 1.098 9.935 6.360 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 -2.089 19.513 13.554 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 19.483 12.356 -3.449 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 3.833 0.248 6.425 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 13.789 -1.425 6.782 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 -5.463 17.921 3.136 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 3.248 -4.278 -3.265 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 8.011 -7.584 8.041 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 19.188 0.723 2.882 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 -4.343 -4.956 -6.302 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 4.094 11.198 -9.183 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 -6.868 0.014 -4.790 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 3.293 2.134 -5.815 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 -10.521 3.480 -2.579 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 3.583 8.696 -9.936 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 -8.022 -1.399 1.208 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 -16.529 19.041 -2.299 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 -11.288 -1.937 -3.260 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 7.602 -4.674 -2.036 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 2.291 -32.701 -13.689 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 8.395 19.804 13.227 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 1.843 -3.212 -4.261 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 15.853 10.012 -13.804 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 14.850 12.215 -1.902 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 3.462 6.025 1.021 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 -1.428 6.747 5.134 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 23.167 4.829 -5.271 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 -0.966 5.758 -4.906 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 10.064 0.836 -7.724 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 -10.963 3.997 -3.152 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 -3.009 1.865 4.078 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 6.151 10.652 1.658 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 0.452 -4.740 17.565 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 -3.046 3.581 -3.513 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 -4.404 1.016 -7.220 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 -0.331 2.061 -1.533 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 1.915 1.825 0.528 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 -7.232 -16.309 -3.867 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 -0.275 4.162 -9.924 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 -0.239 7.986 2.643 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 -0.887 2.133 12.116 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 6.097 2.046 -0.442 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 -5.607 5.151 -3.466 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 12.818 1.881 -5.300 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 -6.520 16.006 -22.738 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 7.584 -1.435 5.891 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 -9.971 -16.735 4.147 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 4.874 1.365 12.130 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 5.887 0.267 -5.451 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 17.849 1.970 8.414 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 5.996 -4.708 -0.115 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 -1.889 0.317 -4.002 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 -10.739 1.415 -18.736 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 -15.923 7.743 23.354 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 2.547 2.953 12.561 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 38.746 19.440 11.725 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 -1.583 -31.392 -16.789 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 0.757 -6.015 0.825 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 -6.059 11.822 13.663 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 -5.906 -25.413 -10.832 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 -1.386 2.231 1.439 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 -12.230 6.065 -19.521 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 1.875 1.845 -2.499 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 3.943 3.498 1.413 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 11.078 5.849 4.966 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 -18.742 10.160 16.323 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 -0.636 -0.208 -8.645 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 -4.793 -3.020 -14.225 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 0.879 0.344 -3.844 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 -0.169 3.862 -1.574 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 -12.930 11.752 7.639 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 -15.528 0.784 10.119 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 7.881 6.255 -1.533 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 -3.028 10.923 5.200 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 -3.265 12.271 -16.487 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 -2.324 -5.157 -1.985 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 -6.991 12.632 5.277 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 8.082 -15.152 1.088 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 1.683 2.752 0.537 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 1.072 14.755 -4.529 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 10.020 -23.520 11.393 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 3.671 -2.924 -2.067 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 24.286 4.658 -8.911 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 -7.280 -7.019 -3.045 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 0.260 -0.254 0.604 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 -5.820 2.206 0.693 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 -9.932 1.273 4.688 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 -2.113 -0.541 -0.001 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 9.862 -5.053 7.365 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 -12.087 15.206 7.415 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 -3.636 -3.001 5.551 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 -3.229 -8.022 -3.466 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 -4.175 -15.854 -9.603 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 3.556 0.692 -3.115 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 3.699 -5.242 2.077 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 6.787 -13.396 2.244 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 4.112 -3.481 -7.484 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 6.129 10.314 -9.256 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 -1.381 -6.249 3.489 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 -2.812 -4.421 -0.147 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 0.643 -7.173 0.921 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 13.633 -8.282 5.719 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 -1.004 4.902 7.471 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 15.642 -3.232 8.328 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 1.996 23.800 -2.594 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 3.365 -4.181 -2.779 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 -5.652 -4.685 6.925 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 26.885 -11.773 18.048 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 -1.177 -5.543 -0.727 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 -22.557 0.292 11.526 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 12.181 16.551 -0.459 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 -0.979 3.772 -6.170 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 -9.071 2.199 -2.207 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 -6.775 -14.171 0.528 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 1.938 -3.089 3.567 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 7.349 -0.945 3.007 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 10.805 -5.355 3.452 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 -2.642 -1.286 2.041 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 2.869 6.876 5.796 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 9.350 5.385 2.417 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 -4.104 -1.556 4.822 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 -11.368 10.463 -12.389 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 -3.043 3.210 31.984 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 5.423 4.639 1.654 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 -8.395 -0.446 7.463 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 2.031 -6.689 -5.746 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 4.809 0.103 0.650 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 5.693 -3.508 -2.566 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 -22.453 -1.510 -19.753 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 0.058 -7.452 4.601 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 6.080 -3.631 1.214 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 4.061 -6.808 -13.231 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 -1.850 6.493 -3.734 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 -0.785 8.736 -3.144 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 19.965 5.382 -13.376 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 5.009 3.375 -6.332 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 -16.726 15.681 -4.464 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 -1.631 -15.100 2.408 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 0.699 -1.451 -4.420 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 0.731 -15.593 -26.073 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 -19.197 16.609 -5.167 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 -4.719 -1.358 -0.187 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 -2.818 2.829 1.279 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 -3.479 -5.596 -0.330 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 -0.253 0.740 -1.992 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 -12.336 -9.049 -10.557 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 0.133 1.941 -3.704 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 3.672 -4.932 -5.667 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 -4.420 -3.155 9.146 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 25.538 -11.770 -14.792 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 3.014 -0.898 6.773 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 2.941 -28.181 4.247 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 15.479 16.091 11.108 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 -3.925 0.853 -3.805 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 5.068 -2.583 12.032 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 5.433 -2.913 10.015 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 -1.747 1.224 -4.444 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 0.737 3.824 -3.325 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 34.320 -27.500 8.786 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 -2.905 8.352 -0.847 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 -15.382 6.222 9.688 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 4.529 5.818 -13.428 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 -5.440 -4.161 -2.671 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 -7.628 -4.097 -5.640 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 -19.780 -2.101 2.242 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 -7.520 -1.295 -0.810 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 -17.262 -1.141 2.975 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 -44.078 21.241 3.628 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 -3.077 -0.944 1.473 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 9.443 -10.616 10.180 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 -8.208 10.370 13.557 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 2.034 -4.362 -5.766 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 29.704 7.523 -2.303 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 3.541 1.176 -6.375 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 4.495 -4.304 1.935 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 4.688 -19.887 4.279 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 13.387 -3.968 -4.966 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 -2.210 3.480 -4.896 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 4.844 26.693 2.375 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 -9.196 -1.899 13.458 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 -1.550 -6.293 0.122 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 -1.217 -10.809 -4.712 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 -3.053 -3.343 8.396 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 0.543 1.505 -7.200 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 -1.685 5.160 -10.715 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 -5.529 7.316 -8.137 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 -7.200 -1.171 1.348 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 -5.978 -11.583 -0.560 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 5.184 9.173 5.198 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 -2.227 0.798 3.560 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 2.349 -7.617 17.009 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 11.312 -20.254 -17.090 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 0.315 0.683 -4.820 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 10.902 -15.979 -3.004 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 -8.900 -4.955 4.501 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 -4.976 -2.966 -5.207 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 -13.632 6.447 2.620 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 -0.199 -8.165 -10.523 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 -5.000 1.940 0.849 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 -11.733 12.893 -7.061 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 -10.991 -2.026 -4.494 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 2.120 3.310 -2.165 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 -1.844 -3.964 4.604 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 1.532 1.108 1.988 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 5.477 7.606 -1.918 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 8.560 17.732 -13.826 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 5.086 6.225 -1.109 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 4.162 2.615 0.211 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 10.634 -32.457 -7.641 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 7.441 8.621 -7.375 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 -4.106 -2.898 -0.433 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 -9.330 -6.044 -0.545 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 4.221 2.211 0.534 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 -0.614 -0.715 3.066 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 11.942 7.574 10.960 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 20.012 6.818 14.469 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 6.585 6.845 -3.467 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 -14.620 15.649 10.849 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 0.415 2.268 1.626 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 0.846 3.957 -1.227 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 -0.678 4.087 4.153 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 16.891 3.780 -1.226 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 2.075 -2.834 0.288 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 -6.639 -15.993 -3.248 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 -12.446 4.726 -19.431 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 -2.981 -1.487 9.227 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 -4.449 1.693 2.324 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 -2.662 -5.025 4.840 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 7.244 -0.752 -7.935 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 13.459 2.899 8.185 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 -12.972 -4.088 24.566 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 0.776 5.430 -5.158 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 6.622 14.464 13.133 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 -4.643 -24.017 -1.337 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 -4.227 5.871 0.595 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 -4.774 3.781 0.646 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 0.992 -20.522 -9.418 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 0.721 2.254 -2.854 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 -4.107 -25.193 -6.682 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 -0.546 -3.847 -3.925 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 -4.025 4.203 1.625 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 -25.326 -12.248 2.506 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 6.114 3.610 10.063 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 -6.148 6.644 -3.769 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 -12.399 -5.728 -13.323 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 -17.302 23.427 -6.607 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 -4.954 -1.084 5.740 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 -13.880 18.011 -6.552 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 -5.968 -0.665 11.635 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 2.144 -4.360 0.353 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 0.653 8.140 14.216 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 -4.233 -1.094 -8.237 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 1.075 -2.844 -2.050 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 -1.727 3.988 -6.522 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 -8.995 9.165 24.510 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 5.726 1.620 1.407 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 -0.840 -12.031 -3.239 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 -6.814 9.754 4.937 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 -6.321 4.270 -1.501 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 0.379 4.346 7.727 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 -10.263 14.176 12.298 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 3.348 4.848 -0.953 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 -9.572 -18.378 -0.291 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 4.431 16.160 -12.993 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 1.473 -4.548 4.838 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 -10.810 19.320 -11.539 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 24.364 10.897 5.407 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 4.589 -0.972 9.382 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 4.494 27.022 15.287 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 -2.414 34.444 18.828 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 -2.664 3.369 -2.582 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 9.249 -6.046 4.606 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 -8.795 6.875 -9.325 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 3.038 4.155 8.069 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 20.810 -1.757 10.922 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 -0.988 -4.644 27.374 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 1.237 0.161 0.117 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 -10.061 7.361 -0.285 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 1.008 -8.743 5.739 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 -4.349 -5.882 1.982 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 -9.070 0.131 8.841 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 -8.743 -4.490 -5.254 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 -2.200 -3.429 1.195 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 -1.439 -24.614 -0.112 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 6.605 -8.011 -2.931 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 -0.478 7.672 2.130 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 2.306 7.973 -26.366 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 -5.451 -0.076 -2.887 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 2.146 -6.683 -0.108 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 -15.246 -13.503 1.639 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 -41.661 -31.220 2.888 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 -7.060 -0.753 3.079 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 -10.376 -1.061 1.821 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 -9.157 -2.535 13.689 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 -6.704 -8.371 7.114 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 -0.289 7.931 -5.062 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 -19.363 -6.876 10.319 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 1.396 3.143 2.119 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 19.776 17.970 33.151 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 1.500 -0.443 -1.814 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 1.255 2.944 -1.563 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 0.115 2.259 6.037 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 -1.822 1.701 -17.319 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 0.050 -2.779 5.187 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 -0.554 -4.078 7.053 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 5.524 1.910 -3.884 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 -2.343 2.029 -8.311 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 -4.387 7.537 -1.836 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 12.879 -10.755 17.926 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 2.135 -0.049 -3.643 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 8.808 -18.096 -7.536 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 -10.723 3.679 8.477 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 -4.479 0.876 -2.176 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 -15.780 8.173 10.016 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 9.805 3.127 -8.099 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 2.002 -6.580 2.496 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 3.885 10.289 35.881 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 0.550 6.485 9.840 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 2.552 3.486 3.020 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 8.193 3.135 17.996 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 -6.632 20.603 -3.028 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 -5.276 -8.141 2.896 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 -0.956 16.996 5.183 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 5.801 4.033 3.215 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 3.178 6.701 5.052 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 7.260 2.213 7.214 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 1.803 2.593 2.012 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 4.388 3.245 -4.664 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 -7.583 -20.128 -10.362 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 0.990 -14.993 2.122 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 5.429 3.762 -5.613 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 3.088 -12.941 -7.529 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 -9.715 -7.329 14.176 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 -3.494 -6.165 8.818 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 -18.886 -7.593 -3.641 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 0.019 1.346 8.054 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 5.147 -2.879 1.749 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 3.890 -1.551 1.014 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 2.678 1.604 -5.650 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 -3.160 -2.761 -1.315 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 3.967 3.573 -0.888 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 0.454 -3.897 5.848 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 -1.026 3.299 0.347 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 1.849 -12.200 -0.520 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 -1.321 31.414 -7.057 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 3.279 -0.942 -3.939 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 6.019 -3.477 -7.214 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 10.867 -0.163 -8.251 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 6.221 -2.151 0.791 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 -8.255 0.613 -12.774 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 2.052 -2.561 -3.663 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 -5.290 -5.468 -2.261 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 9.630 -19.235 -0.960 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 -12.370 -12.583 6.579 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 -2.012 -0.554 1.462 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 3.155 -3.527 -16.896 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 4.800 -0.541 2.653 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 -4.023 -2.050 3.513 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 2.862 -10.733 20.916 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 0.283 -7.824 14.405 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 2.281 -8.851 -1.578 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 21.691 -33.311 -21.004 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 -0.755 -2.591 4.693 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 -6.942 3.746 -2.355 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 -7.876 -3.625 2.192 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 -0.715 2.089 -2.127 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 2.843 -3.758 -7.192 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 21.910 4.730 9.319 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 4.644 -2.141 0.205 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 -0.719 -1.872 2.839 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 -9.890 -9.146 11.725 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 -0.155 3.356 -1.874 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 -0.144 7.564 1.048 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 -20.811 15.375 7.692 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 9.134 5.156 -0.531 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 -3.448 -1.027 -3.094 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 -3.737 -20.644 13.429 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 7.566 6.581 -13.958 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 2.612 -7.643 3.500 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 -3.516 6.040 11.991 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 5.277 0.229 7.686 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 -0.791 8.532 0.978 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 -1.371 -17.178 2.320 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 -14.553 -12.124 4.277 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 -2.458 0.364 0.366 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 7.084 4.801 4.831 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 14.067 7.946 3.548 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 -4.007 0.279 6.832 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 18.284 -1.621 -16.774 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 -36.345 4.297 5.588 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 -0.440 0.689 1.582 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 -3.244 -9.267 -13.209 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 5.995 18.975 32.679 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 -6.962 -0.324 0.487 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 2.795 -10.419 -18.530 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 -14.331 7.269 13.894 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 7.623 -4.119 -2.159 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 -9.318 7.093 1.183 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 18.748 27.330 11.800 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 5.345 1.333 2.811 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 -7.963 4.242 -15.025 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 -13.535 -0.657 -26.971 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 -4.003 0.668 -1.940 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 -17.175 -15.325 -14.872 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 0.946 26.315 -8.800 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 -6.020 2.400 3.451 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 7.182 3.088 -25.862 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 15.169 12.260 19.507 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 -4.632 -0.696 -4.423 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 -6.093 4.608 2.513 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 6.555 2.402 28.309 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 0.141 2.968 3.900 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 -2.948 19.316 14.726 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 2.514 2.801 2.443 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 -0.697 -3.901 2.283 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 -2.397 -7.547 7.225 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 -3.704 -13.933 6.299 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 1.812 0.002 1.327 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 -3.339 -2.444 -11.499 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 -4.318 -4.201 -5.416 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 -1.748 -0.626 5.267 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 -1.805 -8.780 1.792 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 2.766 -47.219 -17.620 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 -3.451 -2.016 -3.437 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 -3.987 -4.004 0.737 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 -3.296 -5.108 -13.576 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 -3.212 5.562 -5.323 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 4.571 26.922 -19.376 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 -0.654 -7.369 0.003 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 -4.937 -7.333 2.535 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 -28.287 1.279 -4.943 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 5.512 -10.473 1.570 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 -1.096 -0.636 -0.445 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 -5.052 19.757 6.342 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 8.234 6.825 23.759 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 -2.359 -1.612 -0.368 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 -19.911 -0.645 -8.170 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 -3.477 8.033 -6.054 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 2.175 -6.769 3.513 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 16.406 1.336 16.453 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 25.667 12.724 16.067 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 -9.440 11.662 -3.945 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 6.833 11.745 -22.526 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 -6.346 9.892 2.571 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 -0.876 -8.315 1.942 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 -1.955 -1.656 1.837 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 4.121 -9.340 -0.372 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 -4.821 0.748 0.187 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 1.094 13.276 14.287 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 -5.483 -26.902 26.326 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 3.330 -10.432 4.180 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 8.987 -4.861 5.198 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 -5.314 2.127 3.222 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 3.213 0.177 1.416 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 1.570 1.362 -15.694 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 24.618 -2.356 4.117 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 -2.070 6.785 6.934 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 -0.797 12.685 5.600 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 3.886 -24.227 14.231 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 -4.819 -2.842 0.202 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 7.822 10.281 7.346 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 -2.114 -1.645 -15.891 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 1.863 4.322 -1.372 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 42.487 -20.119 15.076 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 7.877 12.131 2.477 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 -0.608 -0.393 -1.557 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 -4.771 -4.224 7.596 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 4.866 13.433 6.317 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 3.451 -3.754 2.105 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 4.069 -11.296 26.919 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 2.419 -2.249 -0.657 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 0.905 5.143 5.564 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 0.836 21.461 -1.259 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 -8.652 -2.072 7.097 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 2.212 3.047 -0.781 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 -8.555 4.095 -22.465 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 29.276 13.988 -7.630 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 9.613 3.514 1.928 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 -9.928 -7.866 -1.979 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 15.641 -24.073 11.772 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 -7.345 -3.143 -3.780 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 -3.263 -9.475 -10.257 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 -14.762 16.930 17.151 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 2.982 7.448 4.966 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 0.579 -6.543 -6.317 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 1.884 7.548 3.858 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 2.232 -3.794 1.280 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 -19.782 14.048 11.087 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 1.457 1.422 4.296 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 0.269 4.137 1.930 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 -11.361 24.162 14.536 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 -16.675 -10.722 -1.069 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 1.178 -4.600 -0.243 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 12.972 -17.828 0.020 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 -29.962 1.718 -5.565 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 1.122 -3.819 0.598 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 5.949 -1.691 1.775 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 1.110 -12.712 -0.822 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 -6.181 6.086 1.838 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 -8.478 12.769 9.740 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 -7.280 12.412 -0.135 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 1.042 -5.555 -0.422 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 3.880 -12.768 -1.066 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 -1.075 -3.421 0.150 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 4.812 -0.969 -3.926 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 2.184 -1.530 -4.252 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 -3.157 0.038 3.635 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 -4.199 2.386 -4.050 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 26.053 6.177 14.727 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 4.795 38.973 19.856 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 -4.411 -2.716 2.843 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 -11.934 -2.127 21.199 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 -3.481 -3.182 -3.309 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 -0.508 1.338 2.136 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 -8.488 -9.278 12.100 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 6.477 8.554 -10.401 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 -0.730 -0.592 -5.870 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 -8.077 8.218 2.795 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 18.339 -34.183 -8.291 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 0.542 -5.954 -1.098 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 5.573 -1.795 4.730 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 4.055 -8.706 8.627 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 4.745 -4.060 1.168 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 14.352 -9.654 -5.536 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 -11.958 -3.633 11.466 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 6.842 -2.131 1.498 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 -8.848 8.118 18.186 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 -15.907 -15.584 -6.102 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 -2.324 -1.613 4.676 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 -9.855 14.390 -6.924 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 4.275 -14.784 2.933 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 -1.895 -1.609 -2.339 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 -0.751 -1.753 -5.167 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 1.555 -0.179 -1.403 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 4.191 6.590 -0.571 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 7.300 12.601 6.643 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 5.146 16.301 -9.647 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 1.393 -3.186 -6.533 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 1.861 -3.276 -5.587 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 -2.542 0.515 -9.535 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 1.749 4.046 0.873 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 -12.180 -2.615 -6.704 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 6.614 8.173 -1.492 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 2.235 -0.331 1.099 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 -5.544 -4.754 -5.658 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 12.009 1.865 5.641 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 -2.338 -0.654 -0.795 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 2.159 -7.043 -4.931 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 -2.002 -0.412 4.595 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 5.052 -1.436 -0.768 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 -24.556 -22.085 6.568 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 -13.793 20.331 -8.711 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 -5.651 6.495 -1.940 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 -6.554 4.247 21.166 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 -2.812 -16.318 -9.028 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 -1.466 -5.675 -1.134 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 -6.419 -1.168 4.654 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 -26.587 6.024 16.605 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 1.394 1.014 4.273 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 -3.399 10.007 -3.397 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 3.565 -0.506 5.159 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 -4.594 1.598 -4.606 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 -5.880 -0.370 1.490 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 -22.273 7.231 -10.644 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 -0.210 2.181 1.477 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 -5.749 -1.722 -0.256 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 -6.969 -2.444 -0.057 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 0.527 3.780 -3.181 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 4.480 22.107 12.462 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 1.863 8.014 1.034 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 0.504 3.474 2.489 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 0.280 -8.466 -3.827 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 -1.818 2.806 14.551 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 0.479 2.949 -5.173 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 5.249 17.979 -5.299 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 -24.130 -35.775 9.373 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 2.010 2.580 4.181 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 -2.922 -6.451 1.555 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 11.109 5.849 -1.717 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 4.462 1.184 -1.701 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 3.730 -7.600 0.615 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 -2.717 -3.172 -23.267 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 2.163 -7.213 4.120 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 -12.182 -17.971 4.763 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 16.221 -1.241 7.590 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 0.732 1.825 -7.957 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 -2.056 6.808 17.225 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 17.949 -16.457 -7.068 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 -6.580 4.014 -4.184 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 -11.547 -0.269 -4.552 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 -8.734 -5.439 -5.547 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 -4.316 0.075 0.989 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 12.356 3.451 -9.417 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 -4.651 -46.159 -19.183 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 -3.926 3.346 1.818 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 -0.754 -2.799 1.974 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 0.799 9.373 4.246 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 0.946 2.081 3.489 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 -8.470 17.841 -22.754 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 1.043 -0.055 -2.309 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 -4.936 -5.027 -1.057 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 -10.304 6.305 -9.567 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 -14.563 -4.469 -5.993 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 2.420 0.540 2.541 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 -6.887 8.164 11.113 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 2.636 0.637 4.277 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 1.575 1.277 0.462 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 -11.329 -0.440 -4.248 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 30.069 -9.344 5.491 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 -4.278 3.029 -0.176 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 -22.585 12.564 9.257 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 1.961 0.687 -14.437 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 -0.303 -3.479 -6.093 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 -0.130 2.374 -5.892 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 -2.440 -4.470 -1.279 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 3.246 6.702 4.659 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 9.050 14.407 -7.083 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 24.932 4.625 7.136 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 -2.819 1.208 3.140 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 6.401 7.448 -12.226 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 1.304 4.530 -1.686 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 -1.614 -4.092 -3.426 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 2.869 -11.773 -21.795 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 -9.419 11.847 6.912 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 5.484 -2.502 4.738 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 0.890 -10.443 0.456 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 10.832 0.932 9.281 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 5.558 -1.645 -1.206 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 7.401 -7.112 -4.117 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 -5.468 0.763 -2.693 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 -4.386 -2.673 -3.158 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 -15.320 -10.381 -6.646 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 -3.749 -26.702 19.682 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 0.535 1.686 3.952 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 16.967 14.010 -8.592 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 -12.113 -8.640 13.550 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 2.739 -1.302 1.674 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 3.289 -0.798 5.105 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 2.720 0.308 8.054 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 -2.103 -0.647 -3.956 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 0.325 -0.901 -2.596 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 6.626 -4.565 -13.826 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 -0.361 -2.676 -4.895 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 17.079 -26.981 -14.099 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 -24.791 -13.282 9.085 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 -0.886 0.272 -1.512 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 1.226 -6.699 -7.576 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 -0.575 2.490 10.865 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 -6.219 0.256 1.658 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 -25.417 0.144 1.913 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 -8.241 -10.134 11.381 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 -1.279 -4.985 10.570 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 32.968 -24.071 -20.906 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 5.529 6.333 23.253 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 -3.134 -0.841 -1.955 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 4.210 3.251 6.417 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 5.385 0.782 7.232 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 -3.853 -1.299 -0.660 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 -6.451 27.682 9.127 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 -0.739 -4.243 6.474 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 1.836 3.697 6.766 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 -9.223 -0.396 10.315 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 -0.158 4.638 -5.632 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 -4.430 6.897 0.614 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 7.298 -18.721 0.514 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 3.030 0.651 -6.597 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 -6.261 1.094 -1.503 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 -27.762 -7.108 -2.193 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 -39.982 20.355 11.566 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 4.858 0.667 -2.823 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 -12.380 11.144 2.889 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 -11.903 -14.120 6.753 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 1.348 1.131 2.842 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 -14.040 2.048 15.848 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 -9.587 1.440 -10.959 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 0.879 -1.037 3.354 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 3.599 14.288 24.257 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 -2.916 -13.113 -13.204 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 -0.844 -2.214 1.438 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 -4.770 -9.206 -1.397 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 5.432 5.667 -0.821 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 -2.236 -4.821 2.029 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 3.443 30.930 4.219 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 -14.918 3.899 -23.083 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 -2.097 -5.972 -5.531 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 -1.695 1.464 -1.010 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 -5.042 -4.085 -10.906 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 -1.189 -3.146 2.023 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 2.640 -20.391 0.277 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 -1.601 -18.562 1.197 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 -0.940 0.153 0.294 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 -8.509 5.938 -8.780 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 1.455 1.559 1.185 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 7.267 4.256 -1.030 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 18.430 -14.514 -7.262 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 15.814 20.602 -1.245 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 -0.420 0.305 -3.105 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 4.223 7.248 -10.284 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 4.910 3.319 -14.535 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 -4.867 -5.927 -8.447 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 -1.864 0.609 -9.323 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 -0.330 -5.334 -3.724 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 -3.006 -1.979 -1.931 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 1.373 8.512 15.636 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 -9.979 7.005 1.175 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 -1.419 -1.747 5.732 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 11.747 17.322 -2.828 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 -9.028 -8.292 -15.708 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 2.161 5.224 -3.202 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 4.227 20.355 -0.888 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 -0.688 -27.033 -1.192 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 -5.216 -1.121 2.075 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 -3.698 -1.295 1.917 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 -6.787 3.727 4.488 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 -7.807 5.174 -0.637 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 -1.584 -3.996 -11.669 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 -10.458 13.492 7.833 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 -10.673 -8.796 7.320 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 -17.995 -1.642 -6.853 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 -34.708 15.863 -31.683 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 2.853 0.420 0.581 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 -5.137 -5.451 -2.594 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 2.076 15.247 -3.942 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 -0.729 -0.315 0.615 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 18.839 10.093 -5.712 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 -1.840 -18.191 -18.564 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 6.173 3.251 -3.271 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 0.493 -9.428 9.292 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 11.055 3.397 -16.607 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 -4.615 -1.263 -3.812 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 -8.991 -2.229 3.013 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 2.202 -12.641 -7.941 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 3.293 -1.117 -3.252 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 0.347 10.798 2.159 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 1.033 -11.294 1.471 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 -0.527 -2.722 -0.127 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 1.607 -12.641 -5.979 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 -0.503 5.926 2.393 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 -4.669 2.446 -4.082 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 14.361 -1.554 -2.676 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 -7.693 3.042 -15.768 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 -1.172 6.394 2.592 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 -19.856 -10.466 -8.026 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 12.872 -0.919 0.384 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 -4.273 -4.177 0.791 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 -48.079 11.232 27.511 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 7.209 4.168 7.755 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 -0.386 -1.931 -3.200 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 18.083 15.688 8.623 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 -5.678 -12.834 -6.741 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 1.762 0.353 8.668 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 23.880 8.191 2.987 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 -1.655 -15.078 5.883 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 -2.558 -10.562 3.883 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 -4.716 7.668 10.495 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 -6.528 -22.629 1.767 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 3.938 1.417 -4.426 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 9.970 6.301 -7.974 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 -16.242 10.790 -5.047 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 -6.436 -2.941 -5.652 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 24.445 7.014 -7.516 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 -27.614 -9.267 -4.124 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 -2.080 2.743 3.362 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 38.202 18.773 -14.569 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 10.680 8.233 -2.291 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 5.383 3.021 -2.565 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 8.596 -9.976 -5.687 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 0.269 23.103 5.628 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 0.242 1.698 -0.593 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 3.352 18.811 5.573 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 -5.806 -16.340 -8.222 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 -5.657 -1.819 -0.049 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 -9.496 21.052 -14.332 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 -0.622 -10.348 3.575 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 3.764 -0.091 0.678 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 0.052 5.056 1.088 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 -10.175 5.746 -12.231 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 5.347 4.094 -3.339 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 1.594 4.943 -3.873 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 12.613 1.484 -6.443 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 -1.100 -1.939 0.799 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 -2.322 -16.035 24.774 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 -3.952 -12.364 4.460 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 2.467 -1.992 -0.719 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 -0.556 -8.325 2.487 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 1.830 -4.469 0.044 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 -2.259 -1.578 6.658 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 -4.190 2.913 -6.312 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 -5.925 -11.229 6.773 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 1.399 0.630 0.981 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 15.639 6.402 9.538 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 -11.658 -8.456 -5.878 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 -6.352 -2.887 -1.927 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 -12.198 -1.139 -4.761 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 -11.207 -16.372 22.766 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 -4.735 6.500 -2.041 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 9.617 0.721 10.267 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 18.917 1.591 -2.505 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 -3.816 -2.645 -5.153 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 -10.473 2.401 1.596 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 -13.490 4.865 4.383 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 2.478 -1.207 -7.894 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 9.584 16.674 14.771 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 2.162 3.417 -3.986 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 3.918 -0.516 2.665 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 -14.668 7.502 -5.274 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 32.916 -11.247 26.500 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 3.217 2.590 -1.789 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 -9.740 1.443 3.732 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 4.873 1.865 -2.413 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 1.260 5.215 -2.012 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 -5.033 -21.148 1.561 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 7.683 9.421 0.015 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 -0.719 2.901 5.918 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 -6.369 -3.117 -6.274 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 -2.450 -1.999 31.087 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 4.112 5.856 0.336 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 12.765 -6.965 -9.108 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 28.543 -8.620 -9.011 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 -2.975 0.416 -3.247 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 15.405 -23.410 13.162 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 11.292 -18.401 1.596 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 3.732 1.922 -4.286 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 9.546 -3.264 -1.172 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 7.461 0.919 -4.853 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 -3.297 6.083 -11.617 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 -4.368 2.242 -6.688 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 5.232 4.333 -5.470 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 3.155 -2.224 -5.110 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 0.055 -11.721 -11.102 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 7.731 6.174 -12.085 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 -4.276 -1.939 -6.829 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 -10.232 -17.406 -0.058 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 -7.753 3.074 -5.684 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 -5.047 -0.599 -0.320 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 -5.027 6.839 -28.018 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 9.027 -3.004 -2.093 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 4.032 -2.017 0.275 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 9.468 17.484 5.887 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 3.748 -23.918 16.059 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 -0.996 -0.992 -0.450 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 5.333 -11.223 12.260 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 -12.239 5.876 -17.837 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 2.366 2.235 1.231 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 3.241 24.609 -9.242 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 -17.662 16.496 22.125 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 -7.866 -0.193 -0.177 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 -0.180 -4.347 1.254 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 -15.770 7.567 -2.932 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 -7.981 -2.452 4.686 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 -6.691 -20.591 14.448 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 11.945 0.526 -4.248 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 -0.096 -5.820 -4.920 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 11.440 20.258 6.521 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 5.060 3.195 1.658 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 -4.438 -2.495 -0.881 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 9.220 3.085 2.887 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 -11.216 7.707 -16.382 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 -0.203 -1.564 -4.813 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 2.486 -4.244 -4.487 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 -6.522 1.341 5.504 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 -1.058 -1.514 -1.986 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 -18.165 21.161 3.626 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 23.056 -0.212 -13.707 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 9.943 -4.320 -3.976 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 3.986 14.152 7.990 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 20.772 -6.025 -23.432 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 -4.983 3.373 -4.051 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 7.851 -14.168 6.217 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 15.518 -0.084 -13.952 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 -6.629 0.183 -4.808 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 2.359 -10.751 -18.155 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 1.428 6.836 3.827 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 -4.819 -0.338 -5.860 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 -1.188 -1.890 0.867 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 -4.469 5.779 -11.858 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 0.213 1.099 -0.841 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 -2.025 6.213 -0.617 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 -8.110 12.255 -4.495 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 1.551 6.976 -1.489 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 7.454 11.996 -2.841 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 -1.537 2.065 -11.973 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 5.345 5.838 9.301 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 5.242 -3.986 2.553 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 8.074 7.690 9.889 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 -3.844 1.727 2.733 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 23.713 2.209 0.605 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 -15.675 -3.415 -5.303 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 0.465 -0.783 1.296 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 5.462 -2.266 -1.566 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 -2.068 1.080 11.341 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 -3.196 6.338 2.254 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 -22.592 -17.213 9.201 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 13.743 -0.586 2.935 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 3.524 -1.012 1.639 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 9.682 8.858 16.660 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 10.878 8.266 -12.049 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 -4.193 8.057 3.058 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 5.751 24.062 7.376 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 5.927 -24.865 0.710 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 5.541 -2.268 -0.479 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 -20.575 -24.882 11.078 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 -10.117 30.564 -0.430 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 4.956 -3.520 -3.536 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 32.362 -18.148 -4.595 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 8.594 -4.083 -7.807 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 -2.589 2.089 1.453 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 -1.501 -23.970 8.759 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 2.508 1.636 -2.182 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 1.891 2.862 -4.916 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 -34.957 2.862 -15.106 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 7.110 -24.059 8.373 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 0.881 -6.917 -1.246 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 4.652 -1.241 -14.148 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 -6.387 2.685 -1.799 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 2.680 -4.296 -0.084 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 3.519 17.256 3.967 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 0.462 -18.490 -8.166 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 -4.215 5.876 -3.971 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 2.784 -8.705 -5.690 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 -8.698 12.101 11.847 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 -7.463 -4.979 -0.703 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 -4.988 -7.322 4.031 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 3.997 12.050 4.140 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 -0.411 2.336 0.970 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 -4.625 7.067 -34.745 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 -4.480 4.995 -14.655 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 4.966 -0.856 -3.599 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 -23.200 10.234 16.688 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 -11.587 -22.966 9.095 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 -3.163 -2.515 2.598 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 -14.152 -13.456 7.173 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 -8.929 -7.121 -1.480 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 5.579 0.885 -0.837 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 17.454 -9.811 -15.965 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 2.207 -0.241 12.766 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 -0.656 -0.947 0.755 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 -14.987 6.145 22.341 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 8.021 6.690 -20.512 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 2.318 0.091 0.660 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 -3.966 13.508 -5.703 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 1.127 0.500 -24.884 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 -3.910 -4.657 1.247 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 5.131 -20.128 8.785 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 2.793 -2.515 -2.804 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 -4.492 -1.691 2.136 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 7.172 5.880 2.561 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 -2.366 6.189 14.688 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 1.380 4.867 3.976 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 6.056 7.364 18.467 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 2.937 4.987 14.618 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 1.943 3.501 -4.298 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 0.008 1.345 -2.975 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 -0.786 3.131 -4.608 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 -1.749 4.003 -1.144 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 15.139 4.157 -9.449 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 -18.370 6.280 18.909 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 -5.048 -0.221 2.702 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 11.539 9.154 4.625 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 -18.746 11.049 13.402 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 3.746 -1.704 -2.655 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 16.255 -6.586 -9.812 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 -3.050 3.651 -5.717 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 0.742 -2.164 6.404 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 9.990 -2.988 14.786 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 -4.936 -3.144 9.962 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 3.059 -0.694 0.202 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 4.482 -1.089 -2.339 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 -5.459 13.546 4.131 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 -3.085 3.789 2.804 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 -16.572 4.719 -3.920 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 -6.632 2.128 3.018 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 0.717 -3.963 -3.157 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 -19.687 3.070 1.689 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 -7.025 -1.346 -1.251 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 3.770 -1.449 0.850 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 -1.225 -2.899 -7.776 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 0.361 13.218 6.903 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 5.075 -2.975 3.498 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 -6.977 4.748 -1.730 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 23.553 -7.805 7.783 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 0.016 2.091 -4.672 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 17.238 -12.118 -26.971 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 -2.873 1.335 2.643 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 6.761 0.635 -7.207 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 -9.943 10.974 -21.688 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 -10.367 -4.775 -11.127 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 4.170 -1.252 -2.180 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 1.745 -5.157 13.655 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 -8.152 -3.604 -7.977 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 4.049 -6.642 -6.303 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 4.509 -21.739 5.086 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 1.993 7.364 5.149 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 0.374 4.076 -0.046 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 -0.285 -9.871 -2.331 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 9.846 12.540 18.546 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 0.263 -2.450 0.206 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 7.891 18.650 11.593 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 -8.591 5.699 -21.938 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 2.517 -7.394 -4.205 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 -7.319 -3.711 2.007 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 0.383 -15.917 -7.959 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 -0.787 2.425 1.151 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 7.457 -15.269 0.961 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 -9.955 7.348 5.009 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 -4.087 -1.341 2.589 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 -10.594 18.291 -11.774 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 1.908 -9.745 11.808 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 -1.877 0.604 1.048 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 5.229 -8.692 9.540 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 -8.458 -17.043 -1.455 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 -2.799 -6.798 1.881 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 -1.654 -4.622 4.344 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 -1.762 -13.423 17.756 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 1.687 2.111 2.171 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 13.545 -11.698 3.209 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 -24.455 -17.658 -7.978 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 -9.665 5.458 0.851 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 -18.097 -0.326 -3.394 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 -8.879 -5.711 -3.658 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 -1.111 -0.332 -6.058 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 0.490 5.414 -5.748 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 -1.222 -4.072 -4.592 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 2.934 6.067 3.016 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 4.035 10.205 2.943 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 0.377 8.584 10.804 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 -1.266 1.093 -0.079 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 -4.096 12.465 10.701 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 -9.218 21.490 -15.296 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 -5.692 -2.662 3.670 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 -10.982 5.293 14.051 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 0.854 11.925 5.697 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 2.262 5.754 1.152 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 15.718 8.582 11.478 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 -7.324 1.748 20.833 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 2.295 -1.126 -1.659 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 -2.549 -15.717 1.466 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 26.385 -32.556 -5.090 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 -2.934 4.676 -1.893 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 -6.788 2.122 3.186 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 0.294 5.359 -2.873 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 1.992 6.230 -3.111 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 0.920 7.175 -0.562 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 6.062 10.990 11.241 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 3.090 -7.601 -0.037 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 17.108 10.051 5.440 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 14.424 -19.372 -27.754 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 -4.094 3.700 -0.198 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 17.209 12.563 11.349 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 -10.134 11.467 -9.441 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 0.712 0.937 -5.895 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 16.252 -5.130 -9.718 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 -8.123 -5.845 -20.456 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 -3.112 -1.868 -5.495 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 0.461 -4.209 -5.240 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 5.940 -0.181 -14.683 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 5.953 -4.208 2.307 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 4.833 12.228 -6.475 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 1.589 -20.359 -7.858 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 -1.147 6.823 -2.510 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 12.209 4.870 2.418 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 -3.385 15.529 9.066 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 -9.353 -1.920 -4.722 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 -6.125 -10.500 7.422 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 5.234 -7.372 -17.005 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 -6.140 3.456 1.729 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 6.840 -6.162 10.543 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 -3.347 6.899 -19.390 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 1.767 -1.679 -0.051 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 32.576 -16.794 -6.239 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 1.856 26.046 -16.068 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 0.312 -7.516 -1.665 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 -9.641 10.129 9.792 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 22.808 -2.744 -0.504 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 1.185 2.102 -5.369 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 9.244 -2.247 -8.015 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 -2.076 7.339 0.122 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 1.190 -4.508 1.064 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 2.850 -13.450 1.160 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 3.912 16.525 -12.172 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 5.325 8.075 -1.498 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 -0.292 -8.404 -28.036 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 -9.167 14.112 16.052 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 -4.568 -4.386 -2.219 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 8.248 27.503 -26.215 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 6.316 -13.087 5.269 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 2.156 -5.637 0.338 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 10.668 -6.286 7.439 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 11.505 2.934 -2.601 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 10.077 -3.627 -2.589 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 0.558 -0.674 -5.962 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 0.576 -25.850 13.321 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 -2.615 9.006 -3.387 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 -4.847 5.722 -1.979 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 -0.592 4.688 4.356 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 -1.711 -0.005 -2.986 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 0.972 27.968 10.368 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 -15.114 -32.283 -2.805 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 1.514 -1.284 1.771 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 1.142 -10.096 -4.593 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 14.973 -3.863 -13.377 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 4.299 -0.578 1.751 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 -14.265 -7.139 -15.539 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 -8.259 -0.068 0.220 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 -3.309 -1.891 0.113 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 10.198 -15.460 -1.131 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 -25.120 11.973 16.302 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 -4.999 1.611 0.723 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 -2.475 17.295 6.073 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 -13.028 3.631 2.859 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 -5.267 -8.883 2.142 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 -0.627 -17.036 0.123 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 -12.267 -8.512 -17.592 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 -2.758 -3.098 -2.825 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 4.121 -9.975 4.282 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 -7.096 0.939 -4.625 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 5.418 2.355 -0.747 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 1.242 12.193 -2.530 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 17.181 14.547 1.184 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 -7.232 4.855 0.266 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 -2.263 10.141 8.924 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 3.693 17.382 1.828 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 2.236 -0.794 1.152 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 18.969 19.263 6.273 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 -7.022 13.482 3.171 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 3.748 -2.670 5.246 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 -18.173 -10.541 11.390 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 10.990 -0.013 1.966 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 6.288 7.274 2.043 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 -9.384 36.260 -15.784 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 -1.925 -31.390 17.276 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 7.105 -7.820 -3.198 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 26.911 10.450 9.142 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 18.262 -24.976 3.028 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 -6.472 0.479 -1.651 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 -4.001 -38.941 -5.986 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 -0.177 -0.140 9.176 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 -3.299 2.851 3.296 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 5.506 4.295 17.589 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 1.745 -2.303 0.153 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 7.325 3.625 5.387 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 -1.754 -9.774 36.742 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 -5.670 2.970 2.914 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 1.388 0.228 3.672 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 1.063 -0.108 2.156 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 2.122 -0.097 5.410 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 5.111 -6.726 0.434 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 5.964 -8.136 1.062 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 9.575 -2.229 -2.043 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 8.376 -1.564 2.018 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 1.618 -7.495 -9.187 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 11.881 18.602 3.232 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 -2.394 6.133 1.402 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 -4.801 4.570 0.928 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 -5.868 5.002 2.146 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 -0.627 2.406 -3.066 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 16.550 8.831 -11.643 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 3.962 3.734 -4.948 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 -4.959 -4.264 8.487 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 -3.099 2.931 7.140 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 -6.055 -7.340 2.041 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 -3.036 -0.850 5.890 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 2.091 -4.997 -7.575 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 16.635 -17.127 -5.624 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 -0.083 -1.021 -1.542 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 -7.151 30.183 2.150 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 3.824 -7.000 0.389 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 1.820 1.090 1.243 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 3.264 -1.590 -2.145 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 13.882 -2.891 4.349 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 0.887 6.166 5.930 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 -4.065 6.203 2.213 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 0.507 3.574 -2.101 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 11.898 -6.429 -1.506 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 10.742 -12.003 -0.108 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 -1.893 29.046 26.699 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 -4.608 4.116 -0.580 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 -14.738 -18.358 0.836 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 25.550 9.220 11.757 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 -3.242 2.875 6.309 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 2.825 19.324 -10.606 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 -12.396 5.990 -2.589 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 -1.747 -1.137 0.730 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 -12.848 -11.074 -4.252 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 15.418 -12.369 -4.982 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 6.097 -6.272 -2.417 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 11.630 -38.748 -7.506 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 1.214 6.011 14.023 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 0.601 0.096 -0.916 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 3.233 -13.200 -9.674 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 0.985 -0.951 -1.253 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 2.279 -0.890 -0.314 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 4.501 -9.791 0.125 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 -7.852 -3.780 7.976 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 3.522 -4.098 -0.491 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 -1.310 -12.883 4.468 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 -14.791 12.179 2.359 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 -0.179 2.217 5.124 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 10.847 -12.341 11.486 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 8.241 18.794 5.209 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 -0.073 1.302 4.245 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 3.096 -12.308 1.748 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 -3.158 1.041 6.050 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 -3.559 6.634 -3.177 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 -1.666 23.299 5.845 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 9.730 2.698 3.959 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 6.819 8.342 -2.620 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 2.938 -9.203 5.617 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 -20.144 6.803 8.763 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 -1.085 -4.979 3.476 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 5.157 -14.873 -7.018 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 -0.283 -1.735 0.353 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 0.587 -0.105 5.466 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 -20.264 -15.051 8.014 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 -12.274 -6.762 -1.496 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 1.115 8.375 1.618 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 -14.177 -20.811 -17.727 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 7.400 -2.391 17.432 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 0.051 -1.670 6.398 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 -3.347 -5.419 6.574 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 3.900 7.225 -3.917 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 2.570 -0.812 2.010 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 17.587 25.679 15.318 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 -7.959 6.299 4.410 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 -7.008 3.720 4.004 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 11.294 4.009 8.681 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 -4.676 0.907 -8.510 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 -1.480 -4.903 6.197 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 -3.258 -0.911 11.049 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 -1.783 -2.204 3.842 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 -8.658 -4.295 1.724 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 12.586 -4.613 18.023 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 -16.350 -12.593 2.534 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 4.303 3.063 -3.932 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 4.223 1.231 -2.042 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 8.462 10.613 -0.534 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 3.647 0.556 -4.839 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 -16.145 -2.536 11.488 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 -15.898 24.167 18.134 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 -1.213 -1.686 2.595 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 1.163 -4.070 0.468 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 -1.515 -1.529 2.125 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 2.507 0.081 7.776 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 7.734 6.679 -4.722 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 9.926 21.700 -2.122 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 0.635 -1.612 6.635 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 -0.860 -6.908 -0.507 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 2.153 -6.809 2.296 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 -2.707 -3.222 -1.811 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 -14.590 -10.388 5.166 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 17.738 0.128 -0.056 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 3.077 2.971 0.154 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 11.459 9.221 4.535 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 13.403 -9.539 -18.833 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 2.281 -0.028 2.183 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 -4.645 -9.227 19.648 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 14.021 2.814 -7.803 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 1.231 -3.127 3.728 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 2.415 -4.339 5.516 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 -5.454 -7.424 9.450 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 -3.392 0.307 1.635 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 1.007 -3.668 25.065 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 0.903 4.929 -5.189 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 2.398 -0.543 -2.705 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 2.290 -2.254 5.261 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 5.046 2.839 -6.832 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 1.875 3.033 4.295 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 7.659 1.025 -0.377 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 -20.070 27.504 9.080 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 -0.253 -3.570 -1.505 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 -11.938 2.893 9.784 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 3.955 -19.419 1.428 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 3.873 -0.948 -2.451 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 -1.375 -7.685 25.528 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 -0.125 0.201 -1.568 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 -2.128 7.034 -5.650 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 -13.152 -3.348 11.331 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 8.464 6.018 5.504 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 6.975 -0.598 1.081 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 -0.178 15.717 -6.053 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 -3.283 20.991 -17.187 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 -4.477 -2.151 -0.267 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 -4.917 -3.989 1.694 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 -6.342 8.270 18.314 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 3.457 0.116 1.365 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 9.387 19.436 -16.360 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 7.646 14.726 -21.228 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 -3.506 2.639 3.868 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 -2.888 3.510 3.142 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 7.115 10.944 -20.861 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 -1.470 -6.111 3.397 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 -3.715 2.303 4.010 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 -4.647 -1.642 -9.121 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 0.885 4.731 -4.661 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 10.331 -14.003 -3.231 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 -3.977 3.138 10.951 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 -0.496 3.381 -2.119 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 -9.736 12.728 5.407 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 6.725 -10.749 -9.049 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 -0.651 -7.321 3.847 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 -3.220 5.939 1.786 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 7.034 -11.792 -5.019 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 -5.236 -7.952 -4.668 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 -8.219 2.422 -10.927 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 -1.378 -16.394 -6.534 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 -0.501 -3.890 -6.870 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 -1.913 -13.802 -5.989 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 3.901 -4.410 -7.796 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 0.562 -1.287 2.672 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 15.574 9.190 10.183 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 -5.953 9.422 -10.356 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 -0.510 -1.773 -0.279 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 0.007 0.452 -6.356 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 0.193 -5.915 -12.050 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 -9.135 2.299 -5.156 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 6.553 6.600 1.853 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 2.384 4.598 19.121 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 3.978 0.022 -6.096 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 -16.658 -6.598 -8.055 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 -0.061 -24.897 4.098 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 -6.593 3.599 -6.500 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 -19.791 -2.206 -8.918 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 13.300 13.806 -4.022 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 0.725 -2.785 6.925 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 -8.485 -1.478 -21.248 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 -14.652 21.802 20.181 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 2.632 -4.856 4.462 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 -3.391 -8.978 -8.208 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 27.166 -13.815 -9.267 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 -0.829 3.682 -1.132 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 6.736 25.315 -9.831 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 -1.995 -24.705 12.161 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 -2.839 -0.875 -4.177 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 2.290 8.298 -13.118 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 -15.983 -0.573 26.012 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 0.770 -2.374 -6.350 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 -6.641 -3.886 -7.228 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 20.626 6.924 8.653 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 -0.072 1.741 -9.152 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 -1.144 12.638 -1.179 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 -1.405 -2.390 -1.345 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 -1.722 2.754 -1.489 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 0.884 16.330 1.263 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 -13.972 0.618 -9.035 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 0.406 4.050 -2.068 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 -5.148 11.831 -1.376 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 9.998 -11.453 -3.532 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 -6.469 -5.079 -4.508 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 -7.842 -15.953 1.463 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 -1.159 -0.680 -3.969 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 0.094 -3.532 -4.027 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 -5.310 5.421 -20.779 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 -0.864 18.719 20.103 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 -1.132 -1.479 -1.766 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 3.113 -3.011 -5.219 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 -6.822 -1.401 0.020 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 -2.606 1.610 7.896 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 20.938 6.680 3.711 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 17.615 11.072 -10.073 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 0.112 -0.686 -0.837 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 8.296 -44.894 -15.896 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 1.437 -13.628 -5.250 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 4.782 8.044 -0.428 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 2.395 3.211 1.987 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 -6.891 -8.742 -4.428 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 1.383 -3.984 8.008 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 -17.789 12.066 6.028 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 -16.804 -2.652 25.580 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 4.197 0.167 1.012 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 -0.304 5.070 -13.069 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 -10.900 16.133 7.929 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 2.155 -3.503 4.277 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 15.955 12.156 6.023 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 -11.807 -18.510 13.187 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 -2.320 -3.968 4.227 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 3.201 -4.906 -5.979 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 3.068 7.850 14.053 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 1.074 -0.535 -4.768 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 -0.974 -10.138 -9.803 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 -1.526 10.031 -8.048 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 -3.295 -0.704 2.336 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 -4.238 4.398 -13.129 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 -3.543 19.509 -2.380 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 -2.787 0.542 1.650 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 -6.733 12.200 7.887 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 -4.252 1.359 -13.380 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 -5.494 3.710 -1.805 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 1.979 7.542 8.967 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 4.141 7.846 -13.274 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 1.067 1.405 1.517 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 1.612 -11.214 -6.942 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 6.062 3.189 12.584 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 -2.618 -8.200 -0.765 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 -1.087 -2.409 -8.686 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 -24.634 -5.421 14.804 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 -3.108 2.767 2.522 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 1.018 -4.162 -11.305 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 -23.945 -21.424 11.829 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 2.955 5.115 -4.832 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 -12.871 1.121 9.062 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 -20.118 6.120 -5.318 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 6.185 3.328 -2.029 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 -4.470 3.432 14.105 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 -0.284 11.958 10.084 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 6.020 -5.684 -2.904 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 4.309 4.926 20.006 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 15.856 -0.242 -14.934 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 0.439 1.549 -4.421 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 0.203 1.636 9.070 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 -17.247 7.044 -8.233 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 -6.867 -0.474 2.917 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 -3.883 0.439 0.878 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 -9.082 1.265 2.609 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 -0.569 -0.323 5.656 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 7.696 -8.998 -8.265 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 -1.964 -0.394 19.405 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 7.349 -0.973 -1.466 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 3.391 4.779 8.954 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 19.986 -20.116 8.491 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 -5.767 3.379 -0.005 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 -2.101 19.245 14.102 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 6.136 17.303 1.566 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 2.241 4.699 -0.140 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 1.887 -7.481 2.295 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 1.512 5.087 -14.769 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 0.032 -2.754 1.521 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 17.658 5.548 -2.960 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 9.125 -8.712 1.647 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 2.365 -2.885 2.860 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 5.211 -0.190 4.535 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 10.036 -33.849 3.061 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 3.193 0.857 -2.829 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 -1.539 -8.772 -8.225 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 -9.291 -12.496 -0.201 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 3.994 -3.284 1.448 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 8.294 17.300 11.005 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 2.095 -10.483 -2.152 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 1.802 -2.472 1.805 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 -7.847 9.379 14.738 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 9.756 -2.129 4.213 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 1.153 4.243 -0.496 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 7.409 -11.460 -0.230 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 -8.182 4.959 -0.067 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 5.773 4.749 2.275 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 26.938 12.080 -14.209 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 -15.853 -1.531 12.488 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 4.220 4.090 -4.585 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 -7.894 3.616 -22.101 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 8.499 16.452 0.359 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 4.159 -2.304 -1.541 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 1.395 -9.884 14.604 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 -3.767 2.878 -36.948 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 -5.357 1.275 0.935 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 42.656 7.129 2.598 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 -12.922 8.556 -26.802 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 3.288 5.184 -0.668 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 -4.505 11.107 -0.885 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 -18.418 -2.267 10.954 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 -3.444 1.082 3.566 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 -21.283 -1.402 8.386 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 6.758 11.399 1.124 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 -9.577 -0.785 5.046 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 -10.912 4.592 13.931 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 -9.055 5.242 -3.802 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 0.671 0.803 0.963 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 -18.065 6.398 4.873 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 8.757 -1.867 -1.667 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 10.937 -3.854 3.757 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 2.805 -28.702 8.747 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 -31.799 -33.323 15.047 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 0.709 1.623 5.321 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 5.426 0.089 -8.728 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 3.115 10.832 0.439 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 -1.033 6.508 0.569 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 17.592 -8.006 -0.666 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 -16.560 5.583 -5.190 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 -2.233 2.755 2.711 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 -5.720 11.523 -4.245 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 -6.412 -11.632 3.022 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 -5.176 -0.168 -2.988 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 10.002 -3.627 9.463 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 -4.167 -0.656 -2.060 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 3.217 2.311 1.107 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 18.398 35.677 10.489 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 8.258 5.096 6.946 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 7.577 2.247 -1.236 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 6.332 21.259 0.309 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 7.146 5.639 -12.764 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 4.104 -2.285 6.838 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 -33.457 1.577 -18.200 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 -20.859 -25.932 14.782 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 -0.262 -1.066 4.519 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 -29.145 -10.072 19.168 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 7.921 -0.969 -0.880 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 -4.659 -3.519 -5.661 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 -4.141 11.735 -2.172 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 0.898 16.344 9.104 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 2.933 -6.605 -1.178 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 -16.037 16.537 -7.042 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 3.877 13.078 20.620 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 -1.321 2.089 3.836 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 -8.075 18.968 -4.900 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 -1.906 9.459 3.158 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 2.770 -4.746 4.943 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 0.933 8.856 6.468 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 10.663 -5.491 -7.953 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 -5.336 9.430 -1.111 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 -8.972 5.511 -7.013 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 -21.463 -16.785 -5.498 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 0.687 1.131 -4.493 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 -1.260 3.163 -2.259 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 3.656 3.457 -6.620 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 3.139 1.780 -4.829 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 9.547 -2.940 0.927 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 -12.991 -8.271 -10.812 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 -2.909 -2.195 4.771 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 -1.107 -4.972 9.572 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 -4.545 -5.405 -13.305 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 5.719 -2.817 4.540 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 14.557 -5.663 -2.619 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 13.574 14.373 -3.788 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 0.117 1.320 -4.833 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 -4.697 11.729 -26.222 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 -12.263 5.852 -0.006 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 2.826 -4.098 7.050 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 7.774 -9.822 15.696 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 -14.438 -3.049 1.137 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 3.654 0.206 3.036 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 -7.076 -0.283 14.337 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 10.572 -22.142 0.746 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 1.692 -3.770 0.844 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 6.741 -1.106 0.143 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 -20.681 -9.871 8.882 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 -6.904 -1.493 5.338 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 -18.803 8.962 0.564 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 -9.318 6.200 -7.705 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 -3.477 0.592 -9.253 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 -5.168 6.036 1.863 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 32.894 -3.718 -21.070 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 -6.140 -0.049 -1.748 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 -7.146 13.083 -0.218 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 -5.870 -6.959 -2.618 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 -0.966 -5.583 11.709 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 -6.458 -1.754 9.084 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 -9.737 -23.862 -3.918 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 2.363 -1.544 -8.793 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 -10.262 -4.114 25.706 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 14.184 -14.844 -37.285 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 6.361 1.703 3.151 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 7.902 0.072 3.779 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 4.993 1.807 6.946 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 0.318 4.073 -2.166 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 -5.391 2.703 22.124 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 13.475 5.878 -0.828 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 0.040 6.877 -2.602 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 6.788 21.556 12.741 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 -0.038 11.346 -6.540 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 -1.895 2.279 -1.158 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 -3.566 4.020 -2.390 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 6.650 -6.492 -1.699 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 4.530 2.479 -4.591 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 3.526 7.131 -22.833 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 22.247 20.747 8.967 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 -2.112 0.228 6.535 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 14.119 4.893 2.022 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 18.818 5.799 14.418 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 0.515 3.581 0.082 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 -25.312 -13.075 -13.480 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 -1.734 6.385 -12.321 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 -0.415 -1.374 -2.086 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 -3.278 -3.838 -1.256 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 -3.577 22.237 23.345 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 -5.777 3.461 -0.224 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 2.648 -4.281 -3.045 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 14.085 -4.516 7.826 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 0.625 7.700 -3.009 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 -1.026 -41.190 3.495 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 -0.645 4.132 -0.022 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 2.371 3.990 -0.097 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 25.585 -1.068 -13.307 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 10.125 7.631 2.910 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 -3.305 4.153 -0.663 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 -1.627 1.929 4.023 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 5.150 11.280 11.752 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 -7.414 0.373 -4.581 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 -15.402 15.530 -15.752 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 -4.743 3.975 -0.969 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 6.052 -2.380 -6.213 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 7.705 -19.896 20.318 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 -12.170 -12.716 -16.172 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 -5.776 -2.003 8.993 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 15.493 13.733 6.777 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 -3.710 2.972 1.485 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 -3.001 3.791 -3.784 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 -4.100 15.472 -1.674 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 -2.141 5.183 2.481 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 5.065 -0.399 3.702 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 3.503 -9.626 -0.651 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 9.900 -3.475 6.946 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 5.149 -0.969 -3.709 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 36.908 27.619 -15.778 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 -6.583 -13.345 -1.772 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 1.155 -4.449 -0.512 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 9.157 17.200 6.262 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 -5.358 1.568 21.274 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 -4.214 7.340 -8.395 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 -3.181 9.903 -7.176 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 4.226 11.846 6.370 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 -3.740 -1.570 1.926 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 3.094 -28.665 -12.425 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 -9.743 21.631 -0.613 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 0.132 -10.503 -2.633 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 9.488 -13.636 -1.297 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 -4.780 -13.506 -2.596 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 2.360 0.764 -2.817 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 13.592 -14.263 3.430 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 2.172 1.726 -5.635 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 -4.596 0.075 0.314 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 -19.158 -16.727 10.001 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 -1.086 4.971 -13.648 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 3.758 0.603 7.416 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 5.782 2.314 8.187 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 11.202 0.648 13.588 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 -0.618 3.527 -4.271 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 0.349 8.316 -0.324 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 0.060 1.851 -3.568 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 1.456 0.046 8.129 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 6.959 -9.844 31.037 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 -25.108 3.092 11.914 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 -1.608 -4.997 1.845 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 -1.103 -31.595 0.144 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 -8.651 -7.489 7.841 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 5.692 3.325 -0.108 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 -28.428 25.379 6.674 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 10.504 -3.521 19.924 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 -2.426 5.176 2.336 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 0.115 9.943 6.397 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 -4.904 -3.190 3.752 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 -6.714 -7.878 -4.761 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 -9.899 -10.680 8.223 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 -8.062 6.652 14.511 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 0.265 2.992 -1.275 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 8.403 -0.159 0.022 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 -6.324 -5.660 -9.804 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 5.763 -4.861 -4.389 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 -0.525 -1.142 -1.559 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 -25.360 -21.730 -17.434 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 4.410 1.484 1.897 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 4.180 -7.154 -3.458 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 5.061 10.239 0.061 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 3.805 -2.589 -2.361 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 -9.291 -11.568 -13.337 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 6.659 -9.659 0.736 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 -4.301 -4.406 -0.345 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 33.899 -2.540 -14.557 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 -14.318 -4.880 17.564 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 3.547 2.098 1.451 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 -5.758 -5.322 -1.387 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 24.735 18.215 7.677 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 -2.582 -3.021 -1.032 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 7.236 -18.817 5.479 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 -4.125 14.073 -14.304 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 -3.195 -7.531 3.113 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 1.176 -10.582 6.690 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 -0.331 -13.202 11.839 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 0.551 6.236 -1.997 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 -1.620 5.244 5.125 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 5.850 8.390 0.279 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 -4.479 -7.003 -2.153 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 -7.645 -1.832 -3.616 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 -5.012 -3.672 -0.473 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 -4.300 -3.560 1.097 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 -10.844 -2.519 15.531 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 4.552 -9.387 -15.445 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 -4.786 0.319 -3.802 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 12.764 -3.816 -4.052 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 6.368 -8.816 4.693 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 4.746 -4.372 -3.700 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 -6.355 3.250 -20.611 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 -15.430 -5.777 15.038 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 -0.824 -1.055 2.332 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 2.668 4.000 1.530 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 -2.098 -3.450 -5.071 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 4.492 -5.031 -4.355 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 11.393 5.538 -3.906 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 -14.190 -4.288 1.910 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 -6.484 -1.806 1.648 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 -2.633 9.662 -29.203 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 26.081 -14.116 17.017 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 -0.713 -6.536 -3.627 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 -9.433 -5.421 -17.892 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 -11.739 -1.904 -10.866 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 1.056 0.334 2.447 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 12.624 11.378 6.604 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 4.649 -12.501 -5.732 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 4.976 2.921 -1.643 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 7.312 2.113 -4.335 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 -2.339 4.582 5.536 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 0.888 -0.499 -3.096 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 -1.658 -6.856 -14.338 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 -6.761 -6.164 5.482 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 -1.126 -1.529 -3.748 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 -5.118 14.448 -24.459 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 -13.326 -26.227 0.175 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 6.211 2.383 0.018 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 -10.817 -0.346 0.664 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 -6.032 -15.329 -3.979 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 -3.127 -1.082 1.781 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 -2.195 2.499 -9.204 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 -3.223 -5.956 3.354 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 -1.910 -2.536 -2.402 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 1.820 8.650 -11.382 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 18.625 1.086 -0.174 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 1.671 -7.786 4.137 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 -26.909 0.993 -20.078 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 14.129 -20.678 -25.808 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 4.374 2.983 -4.140 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 -5.875 -4.667 -10.025 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 10.902 9.244 -3.395 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 -1.990 -0.459 -6.436 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 -7.672 -9.283 -35.086 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 -17.038 -5.757 1.144 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 -0.368 3.062 -6.019 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 22.393 18.592 -3.773 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 -3.180 7.348 8.832 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 -4.099 -10.861 -1.735 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 13.201 1.030 7.147 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 -2.348 -12.898 -5.243 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 2.240 2.246 -2.794 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 9.777 -10.142 7.490 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 -4.599 14.035 -14.905 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 -0.058 5.021 -1.481 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 0.575 4.307 -1.972 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 -9.574 -4.664 -2.102 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 2.453 1.994 3.949 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 -3.840 0.538 -7.260 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 1.571 -7.172 9.298 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 -4.626 -0.789 -2.965 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 -6.139 2.157 -16.980 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 4.579 -16.030 -4.494 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 2.543 3.756 -0.292 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 5.714 -2.989 5.148 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 6.957 0.352 11.741 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 2.917 -7.429 5.486 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 -5.240 -1.954 -1.512 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 6.627 -7.993 5.063 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 -2.706 1.017 2.242 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 -0.217 -3.536 9.727 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 7.079 6.474 -13.770 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 5.294 3.975 -8.186 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 22.369 10.777 2.252 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 -14.120 1.756 -6.544 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 3.145 -2.695 12.176 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 9.269 -12.770 1.700 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 -2.600 -3.011 4.256 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 -6.151 -1.127 0.927 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 -6.397 -2.571 3.285 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 -2.921 4.375 -17.459 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 6.085 3.151 1.486 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 27.510 -11.473 9.006 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 1.055 1.197 3.539 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 2.192 -6.157 5.441 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 -23.251 -17.026 3.315 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 -11.249 0.069 11.749 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 -4.074 4.735 4.703 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 8.320 24.471 13.962 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 -14.568 -9.967 -2.728 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 1.063 0.429 1.121 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 9.858 -2.775 -1.416 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 18.703 11.245 8.562 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 4.889 -3.883 -4.463 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 12.998 -2.518 -24.501 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 16.383 -1.163 0.969 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 -4.577 -3.047 2.027 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 -12.328 -15.501 14.655 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 1.635 -16.696 -15.311 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 0.489 4.255 3.685 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 -12.726 1.636 -8.690 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 1.310 2.028 -1.827 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 -3.675 1.202 6.970 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 -8.150 1.739 7.564 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 -9.455 5.310 18.161 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 3.364 6.222 -5.465 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 -17.202 13.478 4.261 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 2.252 -3.786 -1.849 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 7.203 0.896 1.706 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 11.244 -5.751 -0.737 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 -6.133 -15.478 -26.841 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 3.550 -3.910 -2.651 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 -9.662 3.546 0.096 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 3.601 -5.146 12.031 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 -2.088 -0.236 -2.037 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 -2.651 1.654 5.165 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 -19.720 5.546 1.700 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 7.846 -5.227 -0.439 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 7.108 -4.829 -6.057 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 18.534 18.402 -24.407 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 -5.096 1.957 8.703 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 -7.724 10.330 4.482 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 3.476 -4.055 4.216 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 0.639 5.044 -5.680 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 -4.565 -13.590 -17.317 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 10.635 -6.434 9.032 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 -2.550 -2.339 3.181 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 5.777 -19.031 -8.028 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 -10.402 -8.565 13.149 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 -1.177 -4.167 -7.997 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 -4.821 -0.075 -14.025 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 -7.208 1.374 -7.581 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 -0.070 0.812 -2.471 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 -20.874 0.099 5.363 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 -22.593 -37.065 1.387 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 1.882 4.779 0.533 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 16.972 1.865 -17.132 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 -0.018 -1.254 10.382 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 0.194 -0.407 0.536 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 -1.324 5.160 3.240 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 -1.325 0.672 8.807 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 -6.004 -0.255 4.062 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 -1.006 4.759 -12.444 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 -5.189 21.172 13.870 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 0.315 -8.178 3.781 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 13.607 -0.480 15.228 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 10.270 11.661 0.256 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 -0.744 0.456 -1.939 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 -10.020 -11.051 15.464 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 18.279 4.921 5.897 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 3.135 -1.435 -2.416 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 33.740 16.429 -0.763 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 5.935 -6.302 -11.678 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 -4.619 -5.303 3.270 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 -8.424 -15.728 11.266 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 23.744 2.292 -1.025 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 -1.288 0.782 4.452 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 9.258 20.496 -16.364 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 -5.425 -15.922 2.850 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 -2.363 -2.600 -3.137 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 -7.445 1.011 20.241 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 -9.738 12.067 -4.553 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 5.725 -2.266 -5.559 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 3.928 3.475 -16.644 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 -5.533 -3.754 -2.476 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 -4.434 -4.598 4.029 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 -9.238 -4.177 -16.028 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 12.628 -2.709 11.568 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 0.140 -0.465 -7.509 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 3.718 2.434 -28.690 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 10.356 3.542 -2.587 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 -2.598 -8.667 4.377 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 -3.159 -10.143 9.486 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 2.674 -0.957 -35.580 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 -2.730 3.580 -7.727 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 29.029 -8.941 2.238 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 8.484 28.124 -26.043 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 4.561 0.345 2.246 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 2.982 8.961 -9.375 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 7.798 -3.924 8.281 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 -1.681 -4.201 -1.806 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 -7.392 -3.548 -6.391 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 7.439 -10.572 2.124 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 4.959 -5.705 -3.203 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 25.288 24.734 -10.408 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 -5.785 -16.041 33.820 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 4.183 0.346 1.861 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 0.913 3.232 -3.317 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 -5.133 -12.847 -22.050 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 -2.198 -2.346 -1.048 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 -4.982 -7.112 -1.827 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 -10.619 -15.307 9.007 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 7.945 5.613 -3.505 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 13.229 -10.333 -10.172 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 -7.689 -15.707 15.962 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 -0.757 2.049 3.216 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 3.741 7.120 4.876 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 -5.157 -3.028 2.480 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 -3.774 5.064 3.592 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 -7.550 8.099 -0.336 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 -7.223 -7.385 -0.899 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 -3.409 -4.480 -1.296 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 14.983 -4.789 20.304 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 -4.896 10.530 -0.070 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 -5.191 0.517 1.818 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 -8.529 -0.716 -1.514 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 14.726 5.971 6.749 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 -2.828 6.090 1.992 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 -1.730 -2.381 10.873 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 -4.976 10.073 -1.707 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 -3.806 -2.995 -7.582 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 5.648 2.402 -12.172 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 -20.121 -1.639 10.083 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 -1.123 4.854 2.807 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 -8.328 0.766 2.761 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 -19.153 -0.502 30.293 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 -1.096 -3.383 -3.510 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 0.025 -6.366 -5.386 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 5.081 0.415 11.539 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 4.639 -5.715 -2.481 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 5.391 -5.961 -4.135 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 -2.232 3.024 -2.866 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 -0.155 -1.813 -2.509 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 -4.249 -5.968 -3.993 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 2.313 12.886 0.600 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 -6.086 8.567 7.169 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 3.551 7.671 -6.336 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 -3.240 16.972 19.827 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 2.976 -4.015 -0.164 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 13.495 3.613 -7.944 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 -1.642 21.090 1.898 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 3.288 -0.604 -8.339 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 -4.866 5.599 -12.941 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 6.131 19.956 -30.290 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 0.423 2.527 -5.964 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 6.341 16.429 -6.089 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 1.675 3.269 5.435 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 1.330 -1.673 4.746 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 -2.863 -9.479 3.523 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 -1.349 3.742 6.810 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 -5.699 0.232 -4.380 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 5.089 -14.678 3.087 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 -16.235 13.880 -14.206 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 -2.064 4.179 4.370 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 -3.967 -3.549 3.500 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 -2.652 11.712 5.471 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 2.505 -6.463 -5.185 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 -6.427 -14.706 2.735 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 16.597 3.203 -17.180 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 6.400 -4.952 1.114 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 21.380 -5.108 -10.348 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 8.256 -5.747 1.683 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 -3.501 0.285 -4.594 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 -9.623 1.199 -18.503 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 2.999 -12.553 20.171 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 0.440 -0.349 2.793 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 8.693 -0.656 2.572 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 14.541 1.640 4.482 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 -5.032 -1.350 0.744 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 -1.696 21.372 -12.733 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 11.603 -2.587 25.170 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 -8.485 3.500 -2.212 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 -13.079 3.796 5.329 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 -5.341 7.586 -22.810 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 0.227 0.666 -5.734 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 4.146 -12.883 1.418 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 10.120 0.938 9.698 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 -3.410 -3.674 -7.161 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 -15.817 -5.659 -10.438 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 -3.263 -1.164 -9.073 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 3.284 -2.044 -0.205 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 7.063 2.767 0.262 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 2.566 -19.055 2.880 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 -1.953 -1.939 3.182 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 -11.803 -14.609 8.178 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 7.239 -4.543 -8.564 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 -1.565 -0.611 1.087 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 -1.751 9.990 -14.717 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 -7.404 -10.284 11.636 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 -8.783 -2.115 1.454 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 -2.135 -0.801 31.783 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 -14.595 -15.235 -21.304 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 -5.955 7.110 3.904 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 -3.092 18.854 -4.014 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 -3.483 0.203 5.256 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 5.668 -0.086 5.016 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 2.510 0.922 -30.023 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 -4.629 -13.058 26.758 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 -4.772 -1.619 2.725 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 0.819 -6.302 4.033 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 -2.802 -3.115 3.244 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 -2.244 -5.801 -2.333 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 18.651 -0.144 -3.032 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 19.039 1.623 1.840 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 -2.609 -1.922 2.855 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 -10.352 8.173 -25.481 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 -1.085 8.111 -4.758 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 -4.379 -8.050 1.326 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 -5.579 -27.096 6.012 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 -4.488 -4.022 8.252 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 2.104 0.412 3.567 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 -5.844 4.705 -6.979 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 -5.363 14.211 0.071 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 0.135 10.711 -2.024 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 -11.548 22.902 11.697 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 15.641 5.591 6.257 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 4.018 0.346 4.451 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 17.833 7.263 -6.315 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 0.755 14.334 13.756 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 3.832 -1.958 -2.833 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 -1.896 -9.111 -16.883 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 16.102 11.710 -4.492 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 5.577 -5.211 -0.994 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 10.203 -13.759 -0.444 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 -5.288 -1.582 -6.180 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 -1.942 -2.216 -0.232 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 -1.795 -29.310 10.268 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 12.131 -4.364 -16.745 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 2.300 -6.772 -1.514 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 -20.728 -6.390 16.778 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 13.780 -6.987 -10.977 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 -0.684 1.568 -1.689 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 -5.054 2.947 8.305 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 3.254 4.151 2.468 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 -0.568 0.090 -0.973 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 -10.173 0.132 -3.651 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 -0.758 -8.529 1.852 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 2.558 4.132 -2.354 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 -10.622 13.247 -1.500 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 -20.299 5.156 -3.973 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 -5.276 4.168 5.021 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 -3.887 9.581 -11.397 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 4.147 -0.194 9.763 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 0.202 -1.387 0.095 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 1.467 2.707 3.159 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 -10.010 5.206 8.663 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 -1.695 0.971 0.449 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 -1.703 -1.179 4.927 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 -8.296 2.344 4.768 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 -4.561 3.740 -0.330 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 -8.438 -4.032 -6.180 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 -6.224 2.880 -1.550 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 -2.792 -5.269 1.765 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 -11.277 8.104 -9.128 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 14.974 -10.862 -5.278 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 -3.430 3.588 -0.808 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 -1.283 -14.790 31.457 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 -9.702 -6.965 16.930 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 -1.796 -8.453 -2.696 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 0.119 -11.674 -3.186 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 12.103 26.958 -2.518 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 -6.333 6.675 -0.403 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 11.582 15.794 -28.047 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 9.835 -1.582 5.817 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 -4.304 2.652 4.942 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 -11.291 4.856 5.545 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 3.973 1.664 5.548 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 -2.882 3.357 1.092 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 -1.132 0.317 -2.142 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 -8.471 14.642 12.241 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 -1.153 -4.437 -5.188 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 -10.250 -4.684 -12.587 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 -18.483 -23.621 7.992 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 5.339 7.511 -2.020 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 23.952 12.223 -6.758 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 -6.515 7.478 -18.900 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 1.363 -6.265 5.209 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 -12.627 -17.447 21.510 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 -6.466 4.004 14.326 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 0.517 -2.169 0.676 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 17.200 -10.474 15.722 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 -2.181 -0.121 -1.646 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 9.043 -0.862 -4.877 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 3.515 -26.800 23.056 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 -29.763 19.693 -12.709 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 -2.567 6.571 -4.764 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 -10.967 -2.346 -5.632 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 -6.359 17.133 -12.000 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 5.836 -1.840 0.026 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 -25.275 -18.927 2.133 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 18.246 -3.739 -1.496 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 0.710 -5.113 -7.683 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 -2.293 -2.214 -4.725 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 -1.698 -11.244 2.850 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 2.069 3.836 -5.239 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 5.755 8.283 0.135 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 -9.205 -8.705 -7.374 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 0.397 4.937 -2.247 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 -7.745 12.285 -14.555 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 7.186 -27.950 15.699 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 -4.374 4.669 1.998 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 -0.272 9.589 -3.588 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 -10.746 5.450 2.585 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 2.737 0.002 -6.309 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 13.959 2.227 11.054 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 -7.294 -11.297 13.167 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 0.357 -4.476 -3.317 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 -0.485 -16.837 -2.155 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 -6.004 3.722 2.622 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 -2.523 -5.636 -1.499 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 -14.161 -5.698 -0.270 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 0.532 -11.002 0.705 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 1.011 -2.401 -4.313 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 2.929 3.813 7.519 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 17.978 13.347 -11.042 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 6.039 1.985 2.730 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 -4.710 -16.619 -4.642 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 7.437 8.652 -3.674 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 0.552 0.620 -1.387 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 -2.648 0.834 -0.334 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 3.241 1.508 -5.398 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 -2.903 5.785 -5.282 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 -2.629 2.683 -6.411 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 -0.078 -33.001 11.000 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 0.062 4.352 -0.887 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 -1.274 1.749 9.632 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 -2.808 -3.288 -7.492 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 -1.301 1.249 -0.539 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 -13.635 -10.814 -10.013 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 -9.283 18.131 7.666 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 -0.635 2.153 1.501 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 -1.252 -0.106 -0.179 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 -1.754 -11.204 -3.185 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 -4.603 -7.024 -0.452 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 -0.651 -1.526 3.409 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 -2.246 2.500 7.324 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 2.072 3.182 -5.520 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 7.337 -33.381 -23.960 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 4.832 -8.173 -11.089 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 -1.281 -5.217 -3.552 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 -9.009 4.852 25.651 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 2.877 11.647 -4.604 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 -3.693 -0.397 3.577 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 -2.963 7.668 13.611 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 59.670 -29.129 7.913 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 -1.464 -3.270 3.671 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 -11.669 11.000 1.770 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 -13.300 -14.821 13.892 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 -4.294 1.814 -9.102 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 -12.617 0.814 -4.596 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 1.780 4.825 0.742 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 -3.471 -1.316 -3.682 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 -3.662 1.488 -10.147 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 -12.827 10.467 -2.880 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 -3.625 -0.212 2.249 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 1.853 7.725 2.186 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 -10.720 -2.453 4.493 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 -3.197 1.841 -4.036 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 9.652 10.266 -3.877 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 -34.034 -27.427 -2.125 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 0.429 -0.809 1.899 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 -0.892 -8.501 -2.342 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 2.883 17.375 -11.150 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 1.389 -0.983 8.841 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 7.669 -7.109 7.155 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 -11.740 4.346 7.374 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 3.561 -1.620 0.689 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 12.327 -13.285 -30.932 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 1.841 -20.026 3.677 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 6.511 -3.005 0.392 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 -2.826 14.767 0.788 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 14.136 -7.922 3.383 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 -1.300 -7.523 0.902 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 -3.255 -9.054 9.359 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 -0.396 8.721 14.854 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 1.780 0.676 -0.959 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 -10.639 0.874 15.301 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 0.056 12.146 -4.390 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 -3.617 0.441 -4.049 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 8.724 -7.434 -1.889 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 -12.856 -9.442 -23.272 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 0.529 -5.486 2.099 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 8.174 -9.106 -7.039 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 -0.560 3.119 -18.201 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 -0.644 5.588 -0.169 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 6.192 -13.583 -3.598 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 -10.051 10.291 -25.395 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 -5.809 -3.428 3.881 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 -6.907 1.455 7.894 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 3.961 -20.943 1.665 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 4.413 -2.807 -2.674 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 5.506 -21.004 8.310 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 2.828 -13.885 5.595 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 -2.389 -6.451 -6.008 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 11.755 20.973 -18.332 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 -12.056 -22.504 -0.028 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 2.692 4.392 -5.207 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 -14.924 12.032 -22.589 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 10.557 4.163 -1.985 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 1.502 -3.156 6.491 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 7.947 -7.157 18.842 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 11.511 -22.104 -5.234 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 -5.327 -8.816 -0.764 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 -0.851 -3.271 17.585 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 -10.957 0.582 12.895 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 -1.530 2.001 2.204 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 -0.431 -1.414 -6.034 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 -5.175 -4.277 -9.250 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 2.076 0.780 -0.921 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 -0.659 1.676 -7.391 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 -1.595 -6.628 2.418 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 3.727 3.008 -1.713 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 9.875 -5.367 -8.874 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 7.041 -2.198 -4.890 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 1.099 1.259 -8.233 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 9.524 -20.358 7.429 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 -6.914 -19.847 -25.424 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 3.546 -5.657 -3.660 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 -5.141 -3.597 -17.906 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 -0.563 7.443 17.064 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 -2.198 6.549 -2.839 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 -26.130 -0.370 6.980 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 10.997 -2.480 17.018 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 -1.942 1.109 1.471 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 -16.723 -4.042 -5.315 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 -3.362 -12.139 -4.257 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 -7.598 3.800 1.068 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 0.634 6.945 5.847 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 -12.000 0.864 4.307 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 1.294 -0.699 0.287 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 18.546 -1.903 9.950 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 12.384 -3.540 1.108 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 -0.970 1.634 4.331 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 -4.402 3.441 -17.360 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 2.829 -17.561 6.241 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 -0.780 -2.219 -4.822 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 -5.471 10.617 -13.093 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 -8.132 12.041 -4.588 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 -1.918 2.650 3.943 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 4.165 6.682 -1.786 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 -2.848 2.752 10.293 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 0.015 -3.422 -3.463 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 -10.313 -10.802 -21.318 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 -9.585 -10.766 -21.313 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 2.575 -1.183 -1.447 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 -8.235 -4.158 -4.392 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 -30.596 -36.634 -4.451 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 -0.221 7.245 1.976 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 -22.474 1.589 1.933 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 -17.109 -6.274 1.868 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 6.552 2.874 0.510 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 13.880 7.820 -3.468 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 6.179 9.581 12.226 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 -1.344 0.210 1.468 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 10.262 -2.057 3.570 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 6.161 -1.385 0.108 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 3.247 -1.560 7.301 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 13.724 18.005 8.087 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 -12.460 -33.347 7.337 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 -3.244 -7.804 3.826 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 -4.193 -3.871 4.397 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 -1.745 0.227 -37.146 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 8.093 1.306 -0.176 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 10.133 2.152 4.126 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 10.813 -1.955 -0.947 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 -3.127 3.096 2.718 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 -6.891 -7.500 18.420 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 -1.419 11.925 -15.684 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 1.516 7.836 6.084 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 5.144 10.807 22.374 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 -8.840 -0.137 -9.357 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 1.030 2.171 2.278 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 -0.363 -12.677 16.887 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 -16.606 8.234 0.677 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 5.630 3.963 4.456 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 0.920 6.611 0.070 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 15.921 3.072 21.967 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 -4.586 7.119 -0.963 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 -3.973 1.196 4.522 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 -13.388 17.305 -27.470 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 -3.056 2.346 2.932 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 7.084 3.326 -18.226 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 -3.204 1.159 28.948 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 -1.334 -1.892 1.969 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 -2.615 1.201 -5.044 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 21.287 -13.125 -12.888 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 -1.087 -3.174 4.620 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 -6.356 3.871 5.999 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 -11.908 -8.922 -0.940 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 1.500 -2.989 -1.476 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 -12.535 -2.615 5.892 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 2.632 10.530 -8.745 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 0.069 7.005 2.672 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 -20.696 -15.309 -12.613 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 -2.884 -3.319 -2.346 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 2.690 -2.729 -0.875 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 9.454 -2.365 -20.732 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 -1.919 -2.546 22.320 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 6.079 -1.422 -0.368 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 7.260 -13.870 -21.306 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 33.252 15.339 25.078 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 -2.084 -1.022 1.822 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 14.057 -17.916 -6.254 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 -7.002 2.071 7.428 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 -8.864 -0.978 -1.316 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 1.444 15.861 16.183 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 -3.104 -0.018 2.118 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 4.383 0.801 2.209 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 16.267 6.650 12.348 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 5.050 -4.871 19.842 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 -4.535 2.881 3.592 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 0.083 -13.984 8.135 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 -4.119 4.910 9.331 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 -2.062 1.635 -2.275 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 10.213 -24.162 8.654 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 0.847 -12.157 8.134 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 1.320 -6.114 2.523 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 -1.599 -7.648 1.263 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 -12.531 -16.158 -6.434 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 7.579 3.735 -6.078 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 2.166 7.535 -5.338 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 7.689 1.463 -12.041 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 1.131 -2.082 -1.386 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 0.781 -3.693 -4.961 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 1.614 -1.596 -3.742 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 -4.305 4.267 10.867 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 4.395 -0.268 6.668 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 6.708 17.726 -8.742 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 3.217 -5.692 -0.878 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 6.193 -0.048 0.213 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 -6.289 -0.939 -2.053 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 -2.977 2.996 1.886 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 -2.778 -8.446 11.037 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 -4.342 17.342 -8.318 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 -5.500 -1.872 5.154 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 1.523 21.712 -14.171 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 -1.625 12.768 -13.593 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 -3.769 -0.535 1.821 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 -10.161 9.793 11.628 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 11.692 -10.163 2.255 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 6.690 4.840 -4.284 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 7.234 1.327 -6.911 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 9.454 5.676 -10.353 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 1.828 0.768 1.103 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 -7.674 3.761 -5.878 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 -15.109 1.304 -5.292 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 6.384 -3.632 7.636 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 -13.643 -24.104 12.711 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 3.142 11.674 22.698 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 -3.866 -0.728 1.498 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 -1.132 -14.168 -21.094 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 -16.816 -2.546 0.003 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 -0.119 -2.091 1.364 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 -15.711 -17.485 -11.933 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 -14.085 8.105 18.968 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 -5.241 3.153 -0.066 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 -6.220 15.545 -2.207 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 -13.218 0.730 0.065 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 4.873 2.526 0.311 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 9.741 7.276 -4.137 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 -4.317 5.834 -0.750 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 -3.604 3.555 -0.289 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 -5.233 10.795 -30.247 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 14.683 7.331 -19.914 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 2.443 -5.035 -1.132 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 2.563 5.069 -2.437 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 10.998 -9.611 -1.283 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 -0.828 2.924 0.691 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 7.444 13.643 -1.444 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 -1.967 1.730 0.880 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 -2.061 -1.742 0.851 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 -0.484 9.520 -1.758 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 -14.934 -0.481 -10.831 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 -1.310 -2.555 -3.733 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 3.020 2.912 3.299 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 -11.243 -13.394 -19.373 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 6.038 -0.647 2.831 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 -5.666 -6.407 4.591 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 4.155 -2.013 1.082 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 3.943 -2.698 -2.700 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 5.735 18.797 13.615 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 4.272 1.635 11.369 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 -0.529 -2.279 0.402 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 -1.812 5.381 -4.563 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 2.462 -4.013 -3.969 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 -4.882 0.048 8.067 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 40.885 -19.010 -19.227 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 -15.108 -2.945 -26.933 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 5.050 -3.146 8.592 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 7.677 13.042 22.174 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 15.634 -27.185 21.170 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 -6.875 -4.666 -3.986 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 -9.953 4.295 3.762 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 1.073 -14.336 -9.060 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 -4.165 6.177 -9.006 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 -7.596 15.893 -10.116 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 2.444 23.462 -7.964 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 -0.063 0.990 -5.564 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 24.741 -20.593 -20.081 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 -4.904 -10.680 19.944 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 2.803 7.141 2.566 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 3.818 5.888 3.736 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 6.359 9.930 3.744 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 -3.392 -2.537 4.681 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 -19.391 -2.086 4.754 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 -6.859 27.630 14.635 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 -3.674 6.430 4.408 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 15.355 4.864 -10.264 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 -9.281 8.545 14.798 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 -6.681 0.777 1.400 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 -1.714 7.635 -19.687 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 -22.319 15.826 4.331 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 -0.880 -1.106 -0.970 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 -2.701 -9.581 2.030 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 3.747 5.099 7.194 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 -3.021 2.639 -3.033 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 -9.156 -11.560 13.836 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 -1.453 6.849 7.545 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 -6.692 -5.308 -2.857 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 -15.677 -7.729 9.506 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 1.273 -0.588 -6.107 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 -1.677 1.072 -2.317 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 0.193 4.219 -8.110 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 0.107 2.038 5.588 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 5.508 2.855 3.804 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 -12.554 -19.768 -10.963 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 16.016 -7.001 -3.636 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 1.788 -0.881 -4.900 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 13.499 22.341 -16.923 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 -15.111 15.748 14.734 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 -3.423 1.917 3.361 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 1.422 1.207 6.162 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 -10.123 0.751 -1.607 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 0.375 -4.571 2.924 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 8.286 12.370 13.886 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 -5.903 5.444 -14.731 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 -3.452 -1.318 -1.263 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 -2.656 3.159 -5.371 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 -24.547 -32.271 -4.840 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 -6.294 3.010 4.289 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 -7.001 -3.355 6.516 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 2.005 4.226 6.620 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 -1.908 4.517 3.408 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 -7.324 3.918 16.567 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 -4.377 -0.062 -0.233 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 0.616 -0.651 2.829 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 -13.263 -13.805 5.645 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 13.492 -1.812 2.868 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 0.077 -4.594 7.639 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 10.646 14.767 26.863 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 -28.115 1.200 -6.391 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 6.087 3.140 1.012 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 6.689 -1.734 -1.917 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 -1.084 2.525 -3.553 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 -5.647 1.226 1.245 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 -2.714 11.989 -17.308 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 -3.646 -1.253 3.751 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 -3.731 -4.585 3.032 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 -6.098 -2.898 5.702 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 -5.474 -3.128 1.884 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 -2.475 2.955 -1.232 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 5.858 21.953 -11.163 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 -28.361 -12.618 -3.927 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 -3.110 1.719 5.908 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 -1.982 9.048 0.195 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 -4.989 2.358 10.451 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 2.481 4.155 -3.264 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 9.925 -7.354 -27.363 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 -20.935 1.104 23.642 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 -3.929 6.745 -1.173 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 -7.519 -22.555 -0.047 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 18.853 -17.854 23.803 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 0.468 2.913 3.036 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 -0.817 8.810 4.157 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 16.372 18.297 -6.523 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 5.004 -1.694 0.427 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 9.450 9.016 -10.565 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 0.540 -14.217 13.414 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 -5.949 -2.386 -6.420 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 -7.669 -8.492 27.651 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 -12.917 17.054 7.436 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 2.125 -1.998 -2.155 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 -4.122 15.699 -10.860 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 -19.628 12.051 12.655 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 3.387 -1.895 5.310 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 -25.208 11.720 5.089 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 14.677 -18.163 -8.489 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 2.400 -1.274 -0.334 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 -6.926 -27.238 -0.811 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 24.481 -2.976 -14.487 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 10.113 -3.818 3.189 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 12.256 -8.973 1.602 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 11.478 -3.376 -1.087 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 0.628 0.841 -1.058 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 -8.018 -10.036 5.253 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 1.749 10.510 0.720 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 2.493 -1.150 -3.176 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 7.642 -0.131 11.634 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 7.384 0.148 -11.562 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 3.090 -0.503 2.901 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 5.292 4.570 13.429 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 7.841 5.468 10.973 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 -1.469 -0.548 6.541 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 -2.819 15.477 -3.350 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 -7.409 -4.427 -6.171 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 4.709 -7.428 3.417 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 -23.458 33.112 -5.479 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 15.353 6.838 17.968 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 5.793 -3.265 -1.228 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 -10.093 0.384 2.519 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 -28.409 14.687 -6.203 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 -2.995 -1.569 -0.296 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 1.605 23.396 -3.185 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 -15.802 -16.099 3.918 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 0.798 -1.631 -2.853 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 37.699 -6.518 15.708 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 0.012 -8.650 18.983 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 -0.636 5.413 -6.247 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 8.141 17.211 -8.039 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 -0.707 13.838 -6.871 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 2.795 -5.069 -5.934 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 -0.314 -4.370 -21.925 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 -9.292 6.088 1.567 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 -0.346 5.059 2.957 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 14.516 24.153 6.377 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 -14.793 0.779 5.368 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 2.906 1.255 -0.837 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 -6.556 0.338 22.768 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 -3.096 1.890 10.670 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 0.955 0.782 -0.077 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 -0.778 7.351 3.483 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 2.608 -4.776 -2.396 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 2.250 -4.217 -1.761 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 7.774 -25.943 25.731 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 -2.549 3.480 -15.908 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 -1.378 -1.621 0.540 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 12.709 6.753 -1.970 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 -5.736 -3.993 -7.217 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 5.746 0.824 -3.624 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 7.209 -20.884 11.467 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 10.443 -15.082 -7.457 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 8.044 -2.170 -1.307 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 -3.550 -0.509 -12.661 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 1.118 1.023 -2.963 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 -4.185 -3.108 4.488 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 6.025 -13.598 2.212 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 -15.571 -8.233 -2.498 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 0.442 -1.402 -1.714 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 7.732 -8.350 -7.983 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 -3.701 -15.763 -2.183 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 -1.218 6.788 1.086 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 -3.309 -1.498 -7.875 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 -12.151 -2.280 -13.844 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 3.400 1.365 1.037 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 15.885 -15.911 -6.804 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 3.671 -8.760 20.165 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 6.986 0.305 -9.735 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 -16.794 3.759 36.500 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 3.815 5.941 -5.905 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 1.720 2.272 1.664 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 -1.952 -17.660 15.941 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 15.302 16.323 0.768 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 -4.320 -3.122 -1.492 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 -13.448 4.482 -17.350 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 -1.093 -3.338 -2.981 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 4.850 1.657 1.105 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 9.394 0.482 -1.955 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 1.273 -6.504 10.769 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 0.209 1.377 -5.158 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 -9.187 -8.139 -0.368 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 -17.530 -3.204 -18.350 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 0.156 1.791 1.535 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 3.603 38.647 6.400 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 -2.510 -6.983 4.839 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 -1.572 -2.142 -3.539 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 -3.742 19.872 -6.595 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 18.422 -3.802 -13.261 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 -1.780 4.000 1.219 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 6.038 2.711 7.409 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 -5.979 8.697 4.730 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 6.127 -1.160 -1.620 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 4.729 -0.207 -3.479 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 7.295 9.622 14.008 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 2.931 0.467 1.129 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 -9.917 13.550 -10.433 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 13.456 4.879 10.231 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 1.421 -1.519 0.719 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 -7.838 -5.688 7.722 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 -11.496 2.021 -8.724 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 3.378 -2.299 0.399 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 -18.775 -17.708 -10.472 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 -6.146 -6.847 -3.268 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 -0.453 3.474 -4.877 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 -8.323 15.062 -2.566 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 -4.410 4.885 -4.989 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 3.472 -3.772 1.799 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 2.579 -17.425 10.681 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 5.409 2.968 -3.849 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 1.134 4.487 1.968 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 -0.350 0.179 15.201 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 5.109 -3.400 -26.408 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 -9.531 -2.236 -3.358 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 -7.374 1.085 -0.228 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 -19.993 10.231 -4.228 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 2.374 5.827 2.966 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 -2.633 -19.549 6.095 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 8.807 -20.982 6.121 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 -0.877 0.102 3.678 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 -17.146 1.900 6.695 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 9.324 5.835 -2.753 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 2.633 -4.405 -3.903 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 -15.659 -20.538 -7.646 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 3.501 4.198 9.343 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 7.557 2.484 3.568 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 -8.449 8.066 -2.571 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 8.092 -2.649 -0.310 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 2.831 1.928 -1.582 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 -8.414 -12.208 12.114 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 -7.129 3.536 12.960 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 0.929 -0.906 -9.355 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 2.973 8.761 -16.503 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 -5.492 -2.879 5.420 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 3.298 -2.299 -4.645 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 2.225 -1.665 -6.918 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 4.426 -4.584 2.168 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 -3.417 2.143 5.498 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 -3.239 -1.831 13.216 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 17.371 17.361 -11.343 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 -3.029 -2.987 -5.331 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 -5.843 -7.562 -2.166 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 4.625 6.661 4.548 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 0.774 3.243 6.123 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 5.989 30.414 -22.115 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 9.652 4.716 18.273 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 1.577 -2.470 -1.811 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 -3.919 -23.945 -1.439 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 11.459 39.222 7.524 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 3.368 0.724 4.175 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 1.883 4.346 14.088 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 19.879 3.214 3.574 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 -2.739 1.727 0.035 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 4.835 -7.120 9.833 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 -8.354 27.535 20.246 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 4.924 6.261 0.215 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 -0.526 4.580 -17.143 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 -0.317 3.223 -10.720 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 -1.782 -7.623 -0.466 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 -6.460 15.276 11.165 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 -3.445 5.024 4.483 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 3.672 3.839 -3.359 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 3.917 25.059 16.741 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 -4.472 -12.685 3.737 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 6.217 -1.094 -7.021 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 20.816 3.600 2.910 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 -2.490 21.305 5.295 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 -3.582 -4.272 -5.289 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 2.436 -23.981 -33.124 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 12.429 9.942 -6.473 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 0.934 -3.401 -5.407 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 1.908 3.875 -8.851 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 -0.541 -0.545 -1.939 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 1.731 1.557 -2.376 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 -7.374 0.916 -10.502 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 2.099 -13.524 11.326 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 1.282 2.782 5.542 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 12.725 9.376 -4.980 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 1.829 14.917 10.272 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 5.934 -2.050 -3.659 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 -6.779 -22.575 -5.656 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 23.667 -8.284 -6.266 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 -3.539 -2.574 -6.191 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 8.247 -2.257 -15.759 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 1.199 3.599 4.959 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 -0.964 6.527 1.056 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 -1.033 5.700 6.869 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 2.327 6.553 17.574 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 3.300 -0.697 8.766 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 -9.894 -3.854 2.174 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 7.706 16.211 1.682 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 1.198 0.649 4.187 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 -2.229 -1.522 -12.863 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 22.250 -10.033 2.688 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 3.960 6.900 -4.795 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 -7.775 2.147 -16.245 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 -15.019 -0.530 -28.215 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 0.644 0.334 -5.495 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 8.456 8.467 3.999 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 4.675 -2.519 10.377 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 6.231 0.416 2.401 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 5.065 -0.598 -10.799 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 8.062 1.295 13.888 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 5.138 -1.417 4.440 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 22.616 -25.701 -6.456 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 -0.694 4.668 11.976 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 -1.122 6.964 -2.132 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 -6.314 -0.938 19.205 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 8.427 -24.007 1.811 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 2.968 -5.192 0.545 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 -11.833 6.897 -0.575 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 -11.859 2.837 -5.292 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 -0.563 -6.027 -2.018 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 7.681 22.066 39.484 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 -6.975 -4.788 6.049 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 5.288 -4.649 -0.734 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 11.377 19.025 14.787 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 1.640 -2.944 -9.801 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 -0.883 1.960 -3.899 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 -16.401 -6.022 9.501 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 -10.900 -2.556 10.902 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 -0.743 -0.450 0.896 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 -8.146 1.869 10.762 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 -19.333 -25.016 -9.248 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 -0.305 -4.178 -2.300 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 -8.852 -21.540 8.242 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 8.609 12.177 10.248 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 -0.474 -1.070 4.254 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 7.822 -1.865 -19.148 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 13.647 -4.821 -3.694 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 2.238 -4.654 0.274 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 0.508 -15.137 -0.171 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 -4.054 -2.714 6.793 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 1.740 -4.683 3.605 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 0.942 -9.304 -3.824 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 9.352 -0.463 2.654 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 1.237 1.781 1.272 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 3.563 7.086 -1.241 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 0.007 2.431 5.776 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 -5.113 0.682 4.535 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 15.819 -14.144 21.329 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 11.537 -8.796 -14.346 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 3.914 4.338 -2.544 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 2.068 4.853 -13.763 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 -17.343 9.318 -9.388 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 -3.431 -5.958 3.452 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 -6.530 -4.576 0.557 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 1.437 -10.515 3.920 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 2.006 -8.917 2.782 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 8.249 -17.109 -8.486 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 -12.421 5.712 0.380 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 3.605 1.871 2.947 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 5.607 20.738 17.700 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 6.584 -17.756 4.802 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 4.124 6.869 -0.706 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 -0.547 0.205 -0.150 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 9.815 -1.514 -5.660 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 12.600 -2.361 3.148 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 26.306 -5.373 5.307 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 4.966 1.570 -2.894 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 5.294 -1.853 0.270 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 13.092 -13.238 -11.332 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 -9.171 -4.597 4.437 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 -2.165 -4.827 3.079 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 5.560 -10.147 -1.871 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 2.638 1.851 8.851 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 0.125 1.561 -3.679 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 -12.451 15.785 6.601 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 -8.692 2.813 -7.962 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 -2.189 3.540 -3.015 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 -12.866 14.855 -18.372 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 -4.570 2.967 -0.114 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 4.909 0.482 0.156 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 -8.962 -15.890 6.979 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 -16.810 -24.662 -0.184 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 -2.227 1.585 -2.475 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 1.589 20.189 8.501 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 -4.460 -7.678 3.535 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 0.848 0.887 -2.663 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 -6.992 -24.666 -4.440 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 -0.008 -6.847 -6.049 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 1.966 1.194 -7.545 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 -3.037 14.179 1.678 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 6.989 3.909 -15.512 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 -3.824 -1.023 0.931 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 -4.868 1.453 4.640 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 -6.326 1.197 8.019 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 4.333 3.473 2.051 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 1.302 8.663 11.431 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 -1.995 -6.208 2.309 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 0.767 -4.802 2.515 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 3.974 -18.440 -13.499 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 -5.144 -2.504 15.525 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 6.025 -0.775 1.683 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 21.103 15.069 -9.804 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 25.017 -9.299 20.274 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 -5.165 -2.297 0.186 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 1.013 4.326 -8.198 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 1.480 -21.374 -8.120 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 10.643 -2.427 -0.186 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 14.392 -13.717 -16.226 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 11.554 -14.811 -23.501 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 11.675 0.497 4.554 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 36.182 -4.217 -6.853 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 -13.281 5.528 16.385 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 7.117 -0.970 -5.113 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 23.557 15.064 24.777 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 -17.809 -12.523 -32.408 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 2.863 0.440 -3.521 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 6.495 -21.736 -8.445 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 -9.085 13.614 4.312 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 2.687 0.934 -2.214 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 -14.469 1.901 6.954 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 -27.006 11.227 13.438 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 -6.310 -4.159 5.257 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 -3.690 -5.201 0.330 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 -7.121 -2.469 7.436 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 5.881 -0.380 0.753 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 9.502 2.864 5.178 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 16.917 -12.344 6.631 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 -5.593 1.275 0.693 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 2.140 4.145 13.408 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 11.577 -18.269 -10.463 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 4.054 4.572 3.685 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 13.696 2.109 6.957 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 4.275 8.494 7.046 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 0.408 3.411 -8.805 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 -0.998 -13.816 -8.089 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 -7.138 -3.182 -4.056 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 -2.656 -2.219 -0.743 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 -5.143 12.069 9.589 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 -19.435 28.635 34.344 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 5.488 -4.531 -0.382 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 -8.611 -14.091 -1.117 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 -6.525 7.805 8.790 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 -0.243 0.842 3.094 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 -19.351 12.218 3.714 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 8.594 -2.645 1.710 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 -8.189 2.975 3.184 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 -15.392 9.283 13.477 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 -14.794 -13.769 -0.206 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 1.806 -4.581 0.254 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 14.635 2.500 -3.510 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 9.072 -4.010 4.236 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 -0.859 -3.336 0.104 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 1.727 3.977 8.246 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 -1.584 -5.969 4.995 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 -2.509 -3.038 -9.473 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 31.240 -11.868 19.222 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 9.703 -6.549 1.967 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 2.163 4.588 -2.342 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 1.028 6.766 -1.913 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 -7.694 7.199 5.711 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 -1.174 -4.814 -4.067 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 -1.264 0.817 1.633 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 13.347 4.191 12.511 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 5.531 2.009 1.860 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 -10.426 -6.365 -9.295 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 10.890 -0.681 -10.896 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 -6.673 -2.356 -4.414 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 -18.060 -14.887 -13.232 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 -4.750 -0.883 -2.663 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 2.574 2.977 4.069 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 9.131 1.944 7.570 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 15.969 3.069 12.563 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 3.986 -2.980 4.268 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 3.771 5.180 -7.032 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 10.180 37.499 -7.839 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 6.396 -6.421 5.403 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 2.543 0.242 20.988 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 18.684 3.682 -13.005 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 0.708 -3.893 4.571 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 4.808 -10.116 13.616 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 7.613 -8.639 14.151 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 -3.071 -2.765 -0.626 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 9.610 19.085 -11.031 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 4.394 -2.431 -5.439 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 -1.021 -0.300 -2.565 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 25.337 -18.402 -5.426 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 -5.394 7.507 -0.445 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 -8.420 -0.660 -5.686 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 -8.404 3.630 -2.894 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 -12.873 -17.771 -3.190 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 0.378 -3.117 -2.878 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 -4.313 -6.629 -2.446 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 -21.068 -10.216 -7.274 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 0.532 4.087 4.047 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 -12.666 3.555 5.889 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 5.174 1.096 15.561 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 -1.614 2.065 7.387 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 -4.161 10.731 20.137 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 -9.293 2.890 1.649 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 -0.621 -1.675 -1.804 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 -22.121 -2.945 -9.801 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 10.677 6.168 -20.474 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 1.134 -2.822 -0.997 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 -2.052 13.285 -0.450 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 7.709 -23.954 -22.603 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 5.543 -2.862 -1.301 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 6.719 -0.584 12.118 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 0.742 -5.045 5.850 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 1.238 3.325 -3.054 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 0.632 3.433 -2.736 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 5.778 5.191 -5.645 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 -2.659 -6.190 3.229 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 1.821 -5.494 5.458 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 2.471 1.184 4.568 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 0.657 -7.952 -2.959 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 -2.158 -10.510 -6.364 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 3.557 -8.372 -5.566 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 3.456 1.132 2.164 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 -6.143 -6.306 7.630 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 11.519 7.282 -8.681 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 1.217 -0.470 -4.897 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 -6.198 7.789 -6.043 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 12.162 -25.893 0.062 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 0.538 -2.828 1.367 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 -0.452 -9.069 -11.910 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 3.279 -2.298 6.446 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 0.986 6.062 -2.500 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 1.735 3.156 0.564 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 -2.115 5.575 -2.961 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 2.854 2.651 4.918 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 0.932 2.142 6.910 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 4.805 2.415 3.498 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 2.757 2.264 1.533 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 1.269 11.204 -10.332 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 8.225 2.025 -0.897 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 -3.681 -2.188 -1.591 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 -15.620 -0.728 -0.641 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 -4.046 -7.682 -24.094 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 2.998 2.752 -6.433 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 7.017 3.576 -12.389 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 -5.926 -6.776 16.815 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 -1.711 0.028 -0.478 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 -2.350 -3.522 -13.980 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 1.390 12.419 2.181 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 -1.659 4.823 -4.050 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 9.717 12.686 -19.689 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 11.729 -2.734 8.841 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 1.027 0.296 2.383 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 9.852 -3.850 17.794 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 13.413 -9.983 -3.133 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 3.396 -9.975 1.643 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 2.319 6.548 3.043 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 7.835 4.773 6.990 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 4.306 6.621 7.104 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 2.014 24.731 18.481 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 5.311 0.534 2.858 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 -2.995 -0.676 -1.214 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 -3.877 -3.985 8.597 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 4.270 -8.372 -6.068 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 2.462 -6.004 -8.023 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 -15.989 13.447 1.755 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 2.144 -2.190 -7.429 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 -0.540 0.706 1.220 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 13.554 -14.794 0.085 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 -5.767 -8.318 -7.252 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 0.962 -4.766 -6.594 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 -0.732 4.229 -17.930 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 23.785 15.916 1.439 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 -1.722 -4.195 6.916 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 11.462 14.538 -4.902 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 -4.190 7.265 20.412 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 -0.277 -2.402 5.384 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 -13.931 3.745 6.025 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 0.262 -15.572 8.970 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 -2.550 4.349 0.681 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 -12.653 -18.837 -8.910 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 -0.815 -20.345 -4.745 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 -1.031 -2.969 -2.879 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 8.274 9.575 -4.518 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 -16.460 -5.777 -5.851 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 -6.915 -2.441 -2.009 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 9.031 -4.605 -6.507 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 6.484 9.137 2.300 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 -4.704 2.009 5.110 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 -12.344 30.458 -4.380 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 1.178 -19.921 -19.712 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 0.135 -0.853 -5.694 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 -5.452 -2.647 -12.025 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 15.332 9.403 -7.088 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 -0.890 -3.639 3.791 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 -15.799 13.795 3.462 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 12.027 -15.862 0.963 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 -5.018 -0.456 1.502 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 -7.333 5.614 2.311 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 7.656 -15.320 -4.064 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 9.458 3.887 -3.502 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 -7.688 -7.586 0.832 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 12.675 13.097 12.708 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 0.829 2.539 2.586 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 0.531 8.473 -15.434 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 7.491 8.876 2.585 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 5.169 3.175 0.236 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 21.509 -1.758 13.395 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 6.288 2.061 -9.239 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 -2.899 -7.281 -1.857 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 -14.469 -4.097 -5.710 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 7.497 -9.109 2.150 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 6.231 1.190 -0.914 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 18.894 -3.138 -14.768 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 5.852 6.327 -6.135 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 3.014 2.767 -0.400 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 3.286 17.138 -18.383 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 2.656 7.645 -5.763 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 3.457 -2.967 2.994 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 0.688 -9.547 17.504 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 -9.286 -6.900 -0.327 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 6.373 4.644 -0.156 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 -0.572 7.142 14.407 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 0.046 16.974 3.379 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 2.455 -3.473 0.848 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 13.328 6.799 21.517 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 -16.224 13.849 5.676 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 1.206 -1.151 -5.103 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 -6.289 -17.906 -9.056 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 1.679 7.914 -11.517 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 4.953 6.610 1.302 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 5.959 3.207 19.609 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 -5.858 2.768 4.913 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 -0.678 -6.409 -4.450 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 -11.698 4.455 18.144 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 20.024 -15.325 -11.638 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 -0.129 -1.310 0.243 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 11.054 17.587 15.453 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 -3.353 2.805 -4.393 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 1.704 -5.550 3.707 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 -3.602 -11.753 -1.588 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 -2.333 -13.115 5.465 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 -2.700 2.840 -2.407 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 -30.862 1.399 4.419 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 26.870 8.896 1.113 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 -1.313 0.610 1.610 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 -4.851 -3.283 -2.108 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 -4.712 -4.563 5.341 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 -3.501 -3.829 -9.879 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 0.144 -19.625 -0.761 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 6.097 7.245 0.516 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 -2.798 7.288 -1.326 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 9.741 -4.985 -4.187 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 -7.641 9.609 -19.621 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 1.006 8.389 1.411 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 3.834 14.201 -1.790 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 -9.620 10.263 7.477 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 -4.123 1.219 0.953 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 -18.430 15.009 8.213 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 2.798 14.985 -15.018 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 -1.694 1.673 4.187 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 14.883 13.340 -13.272 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 15.846 9.939 27.589 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 2.196 3.542 -1.886 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 2.770 12.795 4.491 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 4.248 15.710 5.840 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 0.714 -9.360 2.420 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 -27.353 0.049 9.581 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 -26.129 -13.898 12.731 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 0.740 -9.212 -0.411 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 5.549 -7.012 3.123 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 -32.625 20.537 -4.017 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 -4.402 3.790 -6.518 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 -2.204 15.155 6.323 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 7.222 -1.345 -13.141 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 4.864 2.293 -0.670 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 5.397 -10.534 -15.034 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 23.102 2.355 8.303 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 1.853 3.565 0.172 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 8.734 5.379 5.933 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 3.267 7.764 0.027 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 -0.309 -2.780 4.976 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 3.397 14.885 9.507 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 4.254 3.562 -2.715 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 -1.977 -5.149 -4.661 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 -7.958 -2.003 8.105 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 -0.708 -5.803 -7.665 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 -0.939 -0.049 1.359 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 1.734 8.451 11.147 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 2.949 -18.048 11.397 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 -3.210 0.542 -0.060 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 7.630 12.754 -1.552 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 9.714 9.486 10.671 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 -4.186 -5.342 1.667 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 0.712 -11.035 -2.475 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 13.804 -20.056 -12.191 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 -0.529 -1.452 -4.662 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 -13.623 -12.992 -5.140 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 -4.183 -4.181 -19.574 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 -2.806 -5.022 -3.388 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 -9.550 -0.812 -17.191 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 -7.705 -16.939 -4.713 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 0.462 -0.394 5.769 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 -3.718 -2.557 8.758 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 16.765 12.633 1.479 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 3.323 -3.743 -2.372 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 3.658 1.220 6.742 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 -3.772 10.424 9.220 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 -2.159 -2.517 -3.835 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 -2.606 -9.179 -9.529 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 -5.202 -8.674 8.928 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 -3.935 1.624 4.607 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 -2.996 1.691 10.653 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 3.256 -1.230 2.270 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 0.637 -5.016 -0.810 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 2.256 -3.581 -1.675 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 19.807 20.954 -3.563 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 6.277 0.422 0.771 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 7.833 7.532 3.806 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 -30.370 -14.224 -27.796 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 -0.801 -4.314 -0.015 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 14.712 -14.144 3.499 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 1.622 5.479 -9.304 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 0.375 1.347 -0.527 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 17.815 18.799 -3.413 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 -17.070 10.316 0.996 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 2.687 -5.707 -5.128 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 -3.441 -12.051 2.812 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 2.238 -6.896 -14.683 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 -2.682 4.357 -4.458 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 -3.468 2.960 7.852 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 0.202 3.716 -18.807 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 1.147 -3.424 0.698 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 -13.388 -21.304 8.706 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 12.654 -2.554 12.588 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 0.992 0.327 6.582 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 -0.064 4.148 7.492 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 -2.249 0.335 6.800 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 3.073 3.883 -3.297 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 5.603 -6.154 3.548 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 1.654 7.648 -12.396 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 3.594 0.172 0.458 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 -2.887 -12.617 -9.797 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 14.348 14.583 14.105 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 -0.933 1.538 2.323 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 3.226 15.080 -9.166 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 -0.554 -4.435 7.705 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 -2.688 -1.849 0.493 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 4.745 14.643 2.000 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 8.390 9.936 12.107 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 -3.184 -0.316 -4.159 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 -6.852 -4.713 4.814 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 0.763 4.224 -14.249 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 5.129 -5.642 -3.476 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 22.880 5.218 3.547 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 -2.448 -10.081 -5.629 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 7.048 -2.084 1.456 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 20.891 11.498 3.530 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 6.287 -1.117 -11.086 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 5.967 2.568 6.029 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 -3.183 -16.817 15.532 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 -5.457 18.589 10.782 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 -0.833 -6.900 -0.347 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 -11.844 -3.987 -1.673 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 0.806 -15.575 -8.633 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 0.261 3.949 2.869 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 12.976 5.461 -5.672 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 -8.181 15.678 -10.271 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 -1.252 -2.441 -6.645 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 4.609 -8.147 -18.520 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 10.168 14.033 27.442 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 3.912 0.416 -1.831 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 -24.038 -2.030 -15.757 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 16.956 2.022 -2.862 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 -2.563 -1.108 3.494 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 -9.334 -7.063 -3.243 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 -2.131 -12.883 -0.988 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 1.790 1.484 1.313 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 0.112 6.538 -1.260 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 -3.877 -7.942 -2.602 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 1.260 -6.696 -8.220 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 4.887 -9.066 7.331 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 1.386 4.161 16.603 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 -1.916 2.991 -6.800 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 -6.265 0.467 -4.832 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 14.887 2.778 8.502 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 4.657 -0.803 -0.019 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 -10.606 3.057 3.953 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 10.075 15.822 16.999 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 -0.922 -5.204 1.776 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 1.700 -3.961 -5.264 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 -14.691 -9.816 24.728 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 0.989 -5.535 3.815 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 3.828 -11.921 4.009 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 -2.051 14.092 0.754 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 -2.369 -3.163 1.619 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 -17.260 -10.607 -8.680 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 20.535 -12.246 -10.391 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 4.803 -5.056 3.235 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 22.537 7.557 -8.864 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 9.036 -1.201 1.691 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 -1.951 3.046 1.576 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 -19.338 17.857 -0.836 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 3.414 -1.084 2.613 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 2.272 2.525 4.707 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 -4.656 0.685 2.398 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 -2.475 14.461 3.286 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 5.374 -3.560 -2.322 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 -14.579 -7.113 -15.661 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 7.001 2.331 2.098 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 -9.235 0.908 -8.188 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 -6.335 0.679 -17.049 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 -7.672 8.890 8.257 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 -4.529 -2.285 -0.572 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 -5.021 -6.072 7.609 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 23.572 -11.738 -20.150 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 -6.581 -0.264 -4.647 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 -2.102 -2.859 -7.283 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 -9.220 -12.416 -18.951 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 6.932 1.515 -0.617 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 -16.392 7.676 -15.688 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 7.473 17.980 25.804 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 5.707 1.829 0.979 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 -21.509 -11.530 -2.908 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 21.430 4.494 15.261 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 0.434 5.552 -0.169 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 -1.117 3.151 -10.044 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 -8.350 2.298 4.480 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 -6.362 6.478 3.640 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 1.510 3.249 -6.292 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 -8.789 17.373 8.623 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 -0.713 3.191 3.336 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 -28.102 11.857 -4.255 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 -14.021 1.818 14.253 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 0.047 6.097 -0.304 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 1.335 11.952 -6.870 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 2.897 18.008 11.278 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 3.040 -4.763 -1.837 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 7.970 1.689 -4.100 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 1.138 -5.429 -5.987 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 3.508 3.979 -2.653 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 -3.230 12.251 3.073 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 12.863 -20.908 11.191 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 -0.500 -8.592 3.752 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 -26.401 -6.988 7.152 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 2.497 15.319 3.134 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 1.464 -1.305 -3.282 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 -1.640 17.074 -0.737 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 13.804 -6.152 -8.342 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 -0.779 2.088 9.172 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 -27.495 -18.090 -2.887 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 3.516 5.013 13.182 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 -1.262 -2.832 -2.988 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 -20.410 -10.246 -2.071 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 -0.468 4.471 -4.899 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 -3.263 3.741 -2.633 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 -13.126 7.761 -7.952 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 8.355 11.127 8.352 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 3.510 -0.443 -4.373 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 -9.099 6.289 5.224 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 -21.590 7.058 5.015 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 -6.707 -1.997 -1.459 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 4.347 10.880 -16.002 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 -15.808 -9.231 3.227 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 -0.626 1.043 -3.501 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 -5.922 12.175 -7.363 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 -6.843 -10.339 3.411 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 2.315 -5.435 -5.123 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 -6.720 3.296 7.052 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 10.424 -20.701 -21.000 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 1.177 3.444 2.008 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 8.748 3.016 0.933 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 17.615 1.957 -0.662 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 -5.700 5.389 2.177 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 -8.503 0.768 7.532 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 -5.649 1.304 5.683 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 -1.921 6.907 1.470 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 -16.321 14.348 -6.501 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 -4.155 -16.725 -5.855 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 0.027 7.591 0.686 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 21.882 14.326 -5.639 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 -5.447 -20.315 7.225 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 3.488 1.749 -1.104 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 -0.320 6.849 -8.947 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 -3.212 -5.874 -4.970 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 2.012 4.265 4.433 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 2.953 -4.104 -1.190 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 4.368 11.289 15.698 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 3.017 1.173 -0.867 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 -22.496 -2.256 -2.544 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 7.963 13.063 -0.521 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 -2.329 -2.081 2.639 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 -1.754 -6.553 5.619 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 -13.379 -10.884 1.797 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 -1.786 -4.511 5.446 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 -13.681 -5.955 13.068 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 -7.045 2.075 -3.074 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 0.036 1.785 -3.528 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 -5.437 -12.063 9.183 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 -3.320 12.643 27.960 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 0.029 -1.870 -1.654 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 -0.657 -2.260 -1.263 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 1.190 -0.900 0.077 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 -3.557 2.534 2.544 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 -13.199 -18.469 20.633 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 -23.620 -12.928 -6.347 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 -4.736 -4.384 -0.229 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 7.118 -13.937 -1.288 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 -17.154 14.122 4.180 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 -2.337 -4.083 -7.190 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 -3.336 6.147 -11.821 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 1.289 15.035 -10.552 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 2.130 -1.662 1.510 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 5.373 -5.179 5.891 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 5.122 2.276 5.830 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 1.171 -2.455 0.678 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 4.839 -2.678 -7.558 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 -7.791 3.259 -2.090 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 3.248 1.582 -2.108 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 5.971 -16.742 -0.560 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 -18.009 29.385 12.499 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 6.754 -6.265 2.496 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 16.701 -0.562 -2.600 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 0.853 -10.509 5.204 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 -3.191 7.444 2.792 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 -3.688 -4.906 -6.279 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 5.590 20.225 -6.801 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 1.539 -0.829 -3.780 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 -0.267 5.381 -7.771 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 -3.482 -6.364 -5.202 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 2.791 1.727 2.274 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 13.999 16.071 12.049 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 -14.269 -0.507 9.895 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 4.446 1.287 6.537 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 -18.545 4.173 27.959 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 6.306 -10.609 -9.815 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 -2.713 -6.033 -1.281 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 -16.788 -0.108 6.425 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 -10.727 -16.178 -18.794 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 -6.254 4.244 -0.942 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 13.292 -40.985 -2.833 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 5.809 -0.691 0.892 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 -4.517 -1.681 4.527 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 -2.123 9.763 -12.471 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 0.831 -3.341 25.726 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 -5.540 4.064 3.689 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 -3.125 -19.151 8.072 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 -12.812 13.210 0.381 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 -6.721 -1.771 -1.312 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 -8.163 -10.224 -7.688 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 -7.753 -4.844 -4.506 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 -8.512 2.731 0.695 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 -4.816 -0.948 -6.670 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 -14.247 -14.119 -7.800 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 -7.272 2.543 -1.768 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 -8.449 -1.118 -9.110 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 -11.417 -1.424 -11.740 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 2.593 2.357 3.017 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 4.949 2.582 -0.305 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 -5.732 -2.046 23.298 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 -0.305 -3.747 -5.816 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 6.255 11.082 -13.510 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 0.020 18.006 -19.395 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 -2.894 2.863 3.341 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 -4.911 16.346 2.499 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 7.896 -8.787 4.112 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 -1.110 -7.377 1.302 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 -4.721 -5.398 -2.029 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 -4.237 -9.327 2.246 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 6.352 4.626 -5.656 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 -9.002 10.442 -8.670 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 0.110 13.357 -11.925 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 2.227 -1.052 5.854 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 -9.949 0.480 -28.929 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 3.419 -11.485 2.881 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 0.086 -0.971 -4.092 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 24.817 -3.219 -6.704 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 5.842 4.198 -14.117 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 2.765 -7.623 -7.050 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 29.249 7.685 -30.048 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 -14.598 22.123 11.486 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 -3.016 -2.405 4.828 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 3.039 9.459 -15.056 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 -15.327 16.928 -7.331 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 -0.858 1.591 -0.264 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 -25.367 3.645 17.502 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 -3.709 -6.347 0.014 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 6.241 0.256 3.764 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 24.753 24.174 5.340 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 18.784 -20.692 18.560 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 -1.454 4.069 2.659 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 -2.512 3.269 -2.788 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 9.986 10.792 -1.828 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 0.681 1.100 -0.420 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 3.386 -7.524 -9.216 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 1.378 3.219 -11.066 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 -0.408 -1.254 4.894 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 3.644 -18.889 1.699 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 0.976 24.536 9.973 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 -5.067 5.012 1.223 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 -14.750 2.178 -9.909 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 -20.846 -10.412 -7.680 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 1.988 0.740 4.359 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 -0.049 -2.468 13.598 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 -17.422 -1.475 -22.770 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 5.598 -2.293 -0.158 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 -8.677 6.472 -3.959 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 -8.450 11.656 8.662 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 8.488 -4.197 8.125 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 -17.702 -1.832 -21.550 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 -5.684 -7.682 23.498 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 -1.755 -1.945 -10.218 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 -17.606 -21.811 25.350 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 -9.361 -11.666 10.583 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 -6.094 -0.392 -6.961 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 2.094 -5.769 -5.549 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 -6.953 2.867 -2.134 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 -4.806 -5.548 -12.341 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 -5.434 -1.235 -14.103 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 -1.808 -7.074 -13.769 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 -1.385 -0.006 -3.752 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 -7.218 -2.164 -6.918 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 9.247 -5.540 6.158 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 -0.639 -4.286 0.767 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 -16.229 -5.980 -11.431 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 16.133 4.549 -10.927 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 2.318 1.377 7.001 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 -14.913 6.826 22.041 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 -12.043 21.793 16.289 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 2.157 -3.008 -3.425 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 4.853 4.477 23.080 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 1.589 20.286 -11.638 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 -0.037 -0.912 -4.449 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 -0.544 20.550 -16.339 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 -4.587 1.917 20.310 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 -3.187 1.752 -4.118 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 -8.532 -4.079 -19.728 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 2.884 -15.395 10.247 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 4.849 -6.213 3.175 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 3.293 13.210 1.453 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 -1.982 12.850 3.681 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 1.111 -3.843 -2.114 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 5.261 1.063 15.639 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 -4.481 -6.392 0.132 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 0.814 1.219 4.531 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 -2.871 2.460 6.656 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 -1.037 -1.942 7.590 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 -1.874 5.243 -5.449 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 18.447 -13.577 31.153 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 -3.369 11.018 -3.294 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 -0.032 3.162 0.584 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 0.390 -2.579 14.591 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 -5.335 19.803 5.265 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 -6.145 6.007 3.502 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 -14.215 20.510 -1.445 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 9.208 -9.872 -7.276 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 7.262 5.263 -3.731 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 0.638 8.502 -9.532 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 7.349 11.141 1.572 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 5.961 3.338 0.103 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 8.591 25.523 -5.642 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 -14.645 -12.656 -14.046 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 -8.405 1.510 2.388 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 2.818 -18.304 32.780 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 -14.503 -0.191 1.418 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 2.510 -3.147 -8.804 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 22.380 5.088 -18.165 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 0.649 -11.334 6.901 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 3.142 1.018 9.737 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 -7.607 -13.620 2.898 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 0.369 0.755 -6.758 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 -8.370 -7.454 0.956 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 17.574 3.250 13.087 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 28.725 -8.430 -3.739 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 -1.796 -3.985 -2.099 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 -17.481 -7.997 -16.361 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 -4.269 4.008 -7.431 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 4.411 1.966 2.609 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 10.227 1.479 5.227 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 -2.616 11.116 -11.294 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 -8.947 -3.200 -4.215 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 -10.784 -18.081 -1.323 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 19.314 27.054 21.334 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 1.487 1.571 5.698 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 -9.925 -24.968 13.925 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 11.489 -1.407 8.579 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 -1.163 3.418 1.945 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 0.196 -1.619 5.682 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 1.928 21.118 -11.979 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 -7.201 -5.477 1.959 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 10.984 -4.529 12.611 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 14.366 -7.394 11.921 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 -0.399 2.226 -1.045 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 19.675 10.673 -9.070 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 -8.880 -1.096 2.568 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 4.562 0.774 -2.162 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 20.110 -4.386 -18.346 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 -7.669 14.491 -10.890 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 3.217 9.387 0.502 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 1.504 10.897 -8.979 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 -1.238 3.336 -2.288 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 2.265 -0.754 -1.900 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 11.076 -3.623 10.959 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 -5.190 7.883 -10.977 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 5.585 -2.886 -1.683 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 9.966 -13.377 10.639 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 14.136 8.674 5.598 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 1.179 -1.315 1.469 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 8.542 -14.244 -7.906 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 11.173 -3.119 -7.711 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 1.858 2.043 0.984 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 8.108 -25.773 -19.759 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 -4.712 -9.089 0.837 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 2.944 0.128 -4.416 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 2.624 -1.709 0.879 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 4.125 -0.263 -7.208 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 -13.627 1.697 0.375 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 -2.341 -1.687 -26.722 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 4.944 -0.511 11.102 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 6.413 0.551 -0.142 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 3.258 -20.534 4.531 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 1.164 -7.719 -34.740 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 2.183 3.436 -2.555 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 0.994 -2.424 -2.423 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 -4.940 0.578 2.598 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 1.530 5.305 -1.301 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 -2.434 5.012 -10.893 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 -18.928 11.839 22.950 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 1.123 2.595 -4.924 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 -16.926 4.650 -14.019 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 -3.606 3.609 0.974 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 2.300 -1.959 -5.379 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 -1.186 0.084 14.403 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 7.748 -22.442 1.426 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 0.887 1.800 -8.117 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 -0.908 31.740 8.288 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 5.027 0.453 9.538 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 1.409 7.262 -0.559 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 -13.335 -14.045 1.400 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 3.949 20.234 0.496 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 -0.386 -3.673 3.575 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 10.731 11.225 -10.903 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 -19.319 9.007 -4.360 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 2.360 -0.581 3.539 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 -13.508 16.239 -20.586 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 -1.433 16.509 32.551 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 0.756 -2.814 -3.258 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 -0.506 -16.800 -0.955 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 -15.484 13.779 -1.859 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 3.424 5.206 1.337 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 14.039 -10.924 2.860 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 2.756 9.125 -0.203 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 -0.612 -1.515 10.617 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 -1.955 -26.219 1.673 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 -6.759 1.593 7.093 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 -2.374 -1.919 -0.970 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 5.031 3.159 -0.172 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 -2.006 1.075 -13.953 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 -2.906 -0.845 2.365 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 -13.224 8.809 2.573 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 -9.570 -12.737 5.115 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 2.426 -4.206 0.130 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 -1.748 -21.463 -6.108 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 14.515 -3.650 17.761 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 2.347 5.936 2.510 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 3.658 6.859 -8.757 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 7.853 10.151 -27.916 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 1.586 -3.885 -0.905 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 2.964 3.933 6.436 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 6.530 1.178 3.429 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 1.955 4.328 -0.090 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 -0.723 -4.568 17.270 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 1.044 1.136 7.060 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 0.894 2.198 4.540 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 -1.122 1.630 3.962 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 1.666 2.948 6.686 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 9.152 -1.385 -3.210 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 -0.356 -17.071 -14.834 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 -6.847 -25.949 -21.364 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 -0.113 2.037 7.034 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 6.405 4.635 8.438 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 -2.651 1.188 7.156 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 -4.375 0.711 -1.305 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 5.598 -4.384 14.269 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 9.836 -19.447 19.034 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 -1.410 3.231 -8.710 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 10.538 -2.340 10.469 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 30.724 34.645 -9.909 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 3.039 -0.439 -2.528 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 -0.052 -10.631 -8.200 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 2.425 -2.178 5.876 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 -5.703 -0.610 6.695 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 -4.875 5.907 2.995 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 5.509 7.584 5.802 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 1.722 4.222 -0.324 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 -7.780 10.950 -17.679 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 -16.511 -1.393 -28.878 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 -5.198 2.115 -3.509 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 -14.947 -2.897 0.135 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 -17.947 8.673 -13.379 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 -1.972 0.480 5.046 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 -2.948 -0.559 4.297 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 -1.755 -1.411 7.610 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 -4.569 4.682 -1.560 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 33.517 32.130 7.440 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 22.142 4.415 7.222 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 -3.223 -0.615 -5.905 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 -9.549 -3.129 1.571 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 -13.017 4.858 0.195 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 -0.662 2.590 1.463 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 14.431 16.022 7.335 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 -20.548 -15.550 -0.670 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 1.118 -4.235 0.526 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 2.133 -6.734 -3.038 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 0.616 -3.800 1.499 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 5.155 -1.988 -1.285 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 5.199 -1.376 -1.391 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 -3.152 3.085 -25.683 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 4.065 -7.906 0.059 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 0.269 -0.245 -7.127 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 -0.588 3.945 -9.223 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 7.506 0.612 -1.519 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 1.484 7.127 -2.522 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 7.147 0.937 -1.477 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 -5.054 3.052 9.421 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 8.720 8.327 11.008 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 -10.854 8.822 -2.286 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 7.231 -2.089 -1.651 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 -19.408 -10.042 -15.869 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 5.316 -16.060 7.422 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 -0.255 -3.688 -1.917 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 9.100 3.481 5.633 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 -9.474 5.160 -4.931 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 8.737 -8.662 8.027 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 23.267 -15.730 -5.606 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 -1.760 -13.655 32.612 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 0.954 -5.998 8.650 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 22.683 7.637 13.809 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 25.387 2.464 -7.233 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 2.854 3.130 4.700 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 -12.826 12.010 -1.976 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 -5.107 10.274 -0.589 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 -2.135 -3.538 6.120 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 -5.640 -9.323 -2.927 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 -11.627 -16.918 0.877 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 1.549 -4.473 7.098 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 1.860 -16.046 -3.738 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 2.896 -1.612 -4.109 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 -3.286 5.135 4.655 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 13.183 -2.246 1.287 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 -1.073 -17.714 -13.288 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 -0.671 1.223 1.353 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 -1.807 0.287 2.141 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 4.326 12.763 -16.223 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 -1.794 6.658 -1.743 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 -5.986 16.672 6.724 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 -11.928 25.097 17.005 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 -1.679 -1.500 -1.703 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 -9.718 10.607 3.072 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 -0.044 13.070 5.336 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 4.679 -2.796 -4.774 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 -20.745 -8.661 -8.796 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 11.915 5.289 -2.839 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 -1.901 -4.506 4.879 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 2.531 11.693 -8.120 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 -14.252 0.109 9.534 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 8.081 4.063 0.832 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 14.106 -2.248 -1.289 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 1.708 3.883 1.806 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 -3.386 5.863 0.253 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 -11.411 15.345 0.730 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 12.347 8.955 4.630 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 0.999 3.439 0.033 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 -8.217 3.252 7.696 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 5.758 -3.945 27.565 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 0.211 10.476 1.560 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 -6.030 6.146 -1.990 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 -1.230 -3.671 -1.671 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 -4.805 -0.120 -3.760 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 2.201 -0.313 -2.023 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 -7.488 -7.079 -1.925 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 7.449 -3.520 4.537 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 -10.992 -5.172 -16.370 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 -29.783 10.962 -13.907 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 4.465 5.184 0.346 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 0.887 -9.102 -0.071 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 5.108 -0.273 -0.169 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 -2.363 -4.972 0.913 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 4.598 34.369 3.404 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 -3.875 -5.023 4.135 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 -1.613 -7.110 -3.088 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 -3.696 -7.990 -1.603 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 -3.652 -7.067 -7.791 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 1.522 0.562 -0.254 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 -10.706 -24.055 -11.636 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 0.937 0.027 -1.053 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 3.512 -4.764 2.550 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 -12.739 -11.630 -4.253 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 5.567 2.131 -4.096 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 -6.124 -2.608 -5.319 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 11.362 21.333 -5.071 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 9.280 -3.851 8.906 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 4.500 -3.121 -4.145 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 2.637 -38.585 -4.479 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 -6.301 -5.703 -25.593 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 -1.513 4.238 2.287 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 3.097 -2.096 -7.935 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 -0.223 -4.641 12.471 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 4.733 -3.248 -2.859 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 3.661 -20.250 -12.783 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 0.888 18.216 16.509 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 -4.999 -0.945 -0.949 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 -1.164 3.091 -4.122 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 -0.410 -0.835 -3.845 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 5.837 5.577 2.114 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 -6.592 2.305 10.383 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 2.442 6.677 6.700 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 0.141 -8.725 -3.454 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 -12.860 17.890 -9.460 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 33.722 30.066 8.287 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 -1.015 1.652 -4.515 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 -3.713 28.611 1.841 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 -1.526 -29.095 12.824 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 -2.159 -2.778 6.132 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 -3.157 4.947 19.174 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 5.111 10.568 11.101 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 -1.304 -1.384 -1.038 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 -3.240 -8.128 -17.029 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 14.794 -2.583 -21.764 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 3.720 -3.063 -3.870 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 -8.618 -15.487 -19.473 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 -2.189 -0.583 19.200 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 1.639 1.810 -0.981 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 -2.425 10.682 -9.958 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 13.789 5.880 -1.716 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 5.530 -4.291 5.701 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 -10.465 16.505 -8.516 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 -13.512 0.851 -3.946 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 3.833 -4.198 -3.841 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 -0.636 -2.642 -3.007 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 -2.297 -4.664 -6.085 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 -1.135 -2.732 -7.342 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 15.751 -0.432 20.606 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 13.776 19.056 3.523 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 -0.714 6.035 -2.822 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 3.353 8.260 5.699 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 -2.433 1.563 0.025 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 -1.050 -8.659 -2.512 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 -4.651 -5.639 0.411 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 -0.488 -14.918 -13.753 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 3.100 -3.080 3.802 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 -9.500 21.241 10.983 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 -3.437 -8.585 -4.854 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 -4.228 1.016 -2.679 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 -24.144 -2.782 -12.499 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 -5.382 5.960 -7.174 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 -6.263 0.031 -0.159 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 17.793 25.090 20.705 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 -29.374 5.984 -18.522 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 -4.220 4.495 -1.399 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 3.179 -6.979 12.612 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 -16.130 12.613 -7.471 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 2.489 -0.621 3.787 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 20.802 -14.312 -12.345 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 -15.317 -14.256 7.703 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 3.091 -5.240 -2.436 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 -3.407 -0.217 -23.548 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 9.048 -9.343 22.508 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 1.167 4.439 4.528 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 -21.454 10.070 0.862 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 -10.871 13.362 5.289 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 -8.720 -2.292 -1.289 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 -7.053 6.471 -9.772 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 -7.717 -6.382 -3.509 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 -2.603 5.504 -3.076 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 -6.615 3.222 6.299 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 7.686 -0.225 -20.556 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 3.016 1.866 -4.279 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 4.092 -3.380 -3.310 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 -18.542 -15.596 3.936 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 7.472 -2.901 -4.022 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 16.982 -19.092 2.295 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 15.494 -20.484 1.919 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 0.334 -7.189 -0.275 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 -20.442 -16.397 0.444 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 30.307 -8.242 27.320 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 -2.604 -3.637 -8.457 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 -11.574 -15.261 -5.806 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 -3.427 1.502 -20.541 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 3.230 -2.325 6.160 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 0.759 -6.530 3.523 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 0.471 -15.530 4.681 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 -4.593 0.702 -0.658 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 4.204 -22.775 -10.431 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 -4.208 -9.636 9.197 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 -0.597 -5.948 -13.051 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 2.129 -11.941 -11.275 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 5.227 4.377 -12.743 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 2.003 5.938 0.693 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 0.072 -4.198 1.498 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 5.351 -7.322 -3.789 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 -3.063 -2.162 -3.469 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 5.760 26.429 -26.528 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 -2.456 16.420 -14.710 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 3.211 5.171 6.680 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 -7.987 -1.667 -11.552 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 2.442 9.485 6.380 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 0.278 0.692 -0.496 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 3.541 -6.995 -5.980 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 -2.803 -11.696 -3.095 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 6.246 -2.178 -6.064 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 -22.388 -15.407 -0.967 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 -6.727 -7.631 -4.475 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 1.582 4.715 -4.472 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 11.288 -3.312 -10.893 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 -16.832 -8.909 12.976 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 2.009 -7.543 -1.772 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 2.314 -13.028 4.011 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 -15.189 -13.285 -12.170 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 0.052 -5.261 4.999 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 6.805 -9.245 -5.392 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 -22.486 -18.144 -4.117 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 -1.784 -1.975 -1.652 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 -5.960 -10.032 5.075 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 3.636 -0.477 6.007 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 4.116 -1.927 -5.814 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 -2.648 5.265 3.819 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 -8.148 13.570 -8.648 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 0.727 -6.212 -1.935 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 11.482 6.170 -12.355 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 -5.402 1.415 11.246 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 -1.775 -3.709 7.288 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 -5.638 -5.251 6.275 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 21.509 8.977 7.901 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 4.357 -2.596 3.969 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 2.336 -21.485 11.995 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 4.773 6.065 -0.617 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 -5.485 -1.569 0.325 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 -14.505 -1.246 -1.777 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 -12.110 -10.022 -19.842 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 -0.334 -1.852 10.037 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 3.332 -13.491 14.568 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 0.521 -0.339 -0.057 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 2.101 1.074 -3.280 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 13.306 1.555 -13.667 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 11.191 -14.804 -2.780 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 -4.445 2.047 -1.045 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 3.176 -0.167 1.204 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 -9.455 -17.117 11.745 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 -6.214 1.873 3.432 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 -8.120 -1.751 15.360 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 -13.918 1.316 8.320 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 3.313 4.626 -4.115 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 -8.579 -4.800 -16.470 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 17.669 -8.904 0.522 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 -4.214 -5.359 1.884 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 10.742 8.828 7.911 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 4.757 -25.627 3.963 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 -4.499 0.934 0.342 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 -10.596 -0.358 -13.597 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 9.319 5.933 30.144 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 -5.359 2.022 -3.856 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 -13.382 17.098 -12.327 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 16.090 5.220 -9.447 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 -1.847 -3.239 -5.417 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 -22.128 -5.783 17.428 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 4.167 15.203 17.473 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 9.784 1.230 2.755 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 6.084 -10.341 -0.742 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 -9.700 20.813 5.881 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 3.699 -1.780 -4.021 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 14.903 -12.019 0.428 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 1.010 -2.438 -0.988 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 2.498 -3.123 0.160 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 -2.468 -0.829 7.352 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 -0.068 -14.296 2.200 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 -6.354 -1.164 -1.785 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 0.753 7.627 15.203 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 -5.788 16.307 -11.787 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 0.805 3.373 1.047 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 -11.368 4.185 -1.372 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 -0.679 8.086 4.893 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 -1.226 7.210 2.167 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 18.058 23.832 4.413 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 -22.219 -21.343 7.965 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 -4.322 -3.702 -6.517 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 -2.718 -1.853 -2.506 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 -2.709 -7.377 -11.725 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 0.871 0.007 -1.563 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 8.699 -7.290 12.252 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 6.066 10.193 -22.532 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 -0.797 4.876 0.385 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 11.571 -3.562 -16.633 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 -26.519 -26.475 -17.131 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 3.906 -1.737 -4.485 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 6.031 -5.451 -6.782 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 -0.802 4.433 -1.481 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 9.618 0.531 -5.090 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 -0.266 23.936 27.192 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 -12.800 -5.234 -11.456 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 -4.210 2.178 -1.249 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 7.477 -14.001 0.874 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 -12.459 2.202 -2.692 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 3.490 2.511 -11.996 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 3.607 1.039 -9.026 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 16.051 -3.924 4.964 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 4.820 6.631 -0.278 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 -16.226 8.152 -7.527 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 37.823 15.497 2.998 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 -3.106 0.850 3.970 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 12.990 -13.489 -22.792 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 -28.898 20.839 6.321 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 -1.979 -6.108 2.510 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 1.227 -2.190 13.126 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 12.692 27.839 10.607 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 -0.151 0.039 4.750 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 3.164 0.693 4.818 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 -2.164 -2.158 4.127 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 1.467 -2.377 2.879 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 13.245 1.582 13.040 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 -14.329 1.823 10.189 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 -7.474 0.955 -1.083 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 12.330 12.374 7.009 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 4.029 20.525 -6.584 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 2.393 -0.393 -2.350 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 14.843 21.697 -13.675 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 -0.884 7.341 23.726 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 -1.305 -1.966 -1.830 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 -2.033 -5.035 -2.139 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 -1.319 -11.244 6.928 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 -0.128 -2.229 -8.196 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 22.062 -14.490 4.514 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 3.350 3.619 -30.356 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 4.472 -4.730 0.817 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 2.882 2.790 10.432 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 1.731 -3.242 -3.531 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 -1.316 0.419 -0.831 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 -10.807 -1.105 -15.211 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 -8.923 -1.510 10.070 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 -4.458 0.393 -1.913 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 -16.133 2.393 -1.779 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 3.100 12.230 8.655 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 0.950 6.473 2.142 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 -2.579 2.539 -0.634 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 3.566 -11.344 -16.233 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 -1.544 -0.331 -4.926 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 2.338 15.819 -12.175 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 1.229 -16.686 4.200 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 -4.037 3.832 -0.719 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 -3.537 -2.323 -6.699 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 -2.710 5.329 1.540 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 -1.326 2.952 -3.146 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 -10.272 1.834 15.531 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 -6.200 -4.834 2.768 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 -0.424 -0.660 5.197 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 -5.991 -2.454 2.775 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 -8.489 0.867 -5.415 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 1.342 4.076 -1.663 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 -16.409 -15.252 -14.810 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 -16.446 -1.417 12.860 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 2.686 -1.653 0.457 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 -18.326 -14.116 18.248 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 -25.455 -16.052 18.873 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 3.858 -7.669 -0.247 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 2.782 -3.082 10.892 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 11.784 -13.086 22.107 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 10.501 -1.681 -1.996 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 -27.223 -13.341 27.502 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 7.667 -7.162 3.503 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 2.822 2.553 -4.207 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 -16.837 -7.702 -23.619 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 -20.191 -22.047 -14.558 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 0.712 4.347 2.561 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 1.782 7.385 1.915 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 -2.868 -8.128 11.417 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 7.189 3.761 -1.272 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 0.172 -0.424 9.145 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 30.708 2.829 0.023 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 -2.842 1.496 -4.529 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 -18.438 29.828 21.193 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 -9.080 17.138 -2.061 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 1.687 4.339 0.182 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 13.022 -2.386 -17.299 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 -11.863 33.979 1.137 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 2.826 -4.789 -3.720 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 -1.505 -1.311 3.511 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 7.777 -7.132 -8.950 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 0.856 1.872 4.229 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 4.972 5.965 -0.063 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 -9.661 -4.997 11.540 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 -0.379 5.976 -5.790 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 1.297 2.951 5.349 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 12.407 7.830 -8.163 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 -3.381 1.053 4.887 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 -15.323 3.379 -5.100 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 31.181 -7.986 15.541 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 -4.350 6.116 4.242 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 0.843 18.448 13.903 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 -9.787 -0.092 15.905 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 -3.158 -6.724 6.259 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 -15.919 -21.074 -18.671 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 -7.667 -2.929 -13.429 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 -1.512 -2.273 7.452 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 12.730 0.919 -24.749 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 16.388 17.563 4.062 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 4.058 3.797 -0.295 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 -3.034 -14.523 -5.587 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 13.778 19.829 -2.507 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 0.779 -1.998 0.646 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 6.588 2.143 1.906 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 18.555 0.207 1.968 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 6.255 2.107 2.548 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 0.688 -5.342 0.976 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 -0.796 13.321 8.220 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 -0.780 7.396 -1.113 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 -2.058 7.982 -12.231 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 -0.242 7.015 8.697 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 -5.956 2.241 -0.753 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 -6.560 7.257 -2.165 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 -14.839 10.986 -4.955 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 0.313 -0.539 -10.031 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 -15.385 -9.355 -2.879 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 -3.105 4.215 -22.091 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 -3.576 -0.457 2.327 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 -12.689 23.140 -0.079 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 -0.397 12.539 0.399 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 2.248 -1.932 -6.158 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 1.722 2.399 -7.264 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 -0.523 -9.532 0.029 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 4.194 -2.353 4.317 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 18.182 17.027 -13.104 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 13.388 9.038 -0.778 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 5.142 -3.552 -8.817 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 -0.334 -10.116 12.441 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 -12.690 0.406 -12.249 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 -4.445 2.650 4.595 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 -16.094 4.145 4.254 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 3.412 -1.049 3.860 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 -3.673 3.402 -0.518 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 -6.491 -14.887 5.327 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 -6.106 13.295 0.590 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 -6.304 -6.082 -1.462 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 -7.486 -11.852 -1.376 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 -10.862 17.793 5.441 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 1.998 -1.056 -7.277 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 5.518 -18.083 -3.795 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 11.295 -6.934 5.081 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 -0.855 12.052 -0.019 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 15.794 4.125 1.286 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 -18.294 -4.348 10.154 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 1.762 8.453 2.096 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 1.967 -11.725 4.843 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 -12.734 -24.931 0.852 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 -1.478 -2.086 0.841 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 -1.680 6.083 26.347 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 -2.654 0.261 -1.891 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 1.105 2.073 -3.391 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 22.068 31.521 -10.281 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 -31.654 -7.297 3.026 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 -2.430 -2.161 3.409 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 -7.229 37.658 -38.944 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 -1.542 0.299 0.046 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 -1.814 2.374 1.267 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 -6.572 13.762 -4.831 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 3.202 -9.635 5.452 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 -8.808 -1.757 -5.442 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 -2.427 18.244 14.156 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 1.330 7.138 11.852 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 -3.812 -5.931 0.388 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 7.486 3.382 4.415 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 -20.223 3.193 -1.398 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 -2.127 -3.788 -1.196 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 -10.392 -40.671 -8.967 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 -11.577 -3.012 13.147 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 2.304 0.759 5.556 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 7.434 6.371 -1.121 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 9.262 9.242 4.607 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 -3.938 -2.876 8.700 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 -7.709 -2.290 -2.641 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 -0.904 -0.603 -8.218 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 5.926 6.664 -1.651 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 12.414 -18.331 2.130 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 7.925 17.630 21.517 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 1.062 5.111 -4.290 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 -12.944 5.294 0.835 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 -17.443 14.820 2.429 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 -0.072 2.298 -3.334 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 2.688 -15.848 6.122 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 -2.253 -9.520 17.313 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 -3.639 -1.042 1.623 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 6.170 1.971 1.920 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 -12.821 1.628 4.176 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 4.854 -1.778 2.881 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 7.730 9.706 -17.828 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 4.643 3.479 2.189 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 2.839 -2.870 4.050 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 -4.889 -25.365 -3.037 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 -3.310 13.311 11.681 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 4.926 -4.521 8.377 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 19.164 8.514 0.408 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 5.163 -4.403 5.979 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 -5.054 2.432 -1.495 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 -3.914 -3.384 -0.885 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 -13.181 -3.750 -0.413 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 0.681 9.013 0.600 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 3.322 1.395 4.425 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 -15.420 14.927 -4.852 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 4.605 0.403 -7.707 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 0.612 -6.085 -2.096 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 6.756 17.214 -12.039 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 -2.277 3.962 0.402 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 7.409 19.466 15.718 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 17.210 -16.490 1.396 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 1.267 4.837 -0.060 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 3.100 -14.592 -4.881 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 1.753 -8.802 -5.787 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 -2.482 0.146 5.922 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 1.023 2.435 2.084 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 13.085 0.890 17.772 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 -7.295 -2.662 0.073 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 -18.683 20.530 17.291 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 -5.191 -2.463 -1.323 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 0.606 -1.598 0.406 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 -1.445 -1.058 -8.334 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 8.155 3.201 6.557 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 6.695 -2.037 0.835 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 21.774 -25.059 10.371 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 -21.540 -17.331 3.157 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 -0.501 -0.394 2.460 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 -0.925 1.040 16.167 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 -0.806 3.566 -11.255 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 -1.199 4.699 0.526 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 5.500 5.780 -11.849 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 -6.917 -12.522 -4.851 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 -1.232 2.537 5.579 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 -17.133 16.099 7.046 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 14.164 1.975 -5.540 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 3.384 1.977 -0.005 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 3.489 3.660 0.847 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 2.335 5.922 -2.715 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 1.388 -1.883 1.257 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 -0.583 7.486 6.700 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 -2.740 8.775 13.532 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 0.939 7.471 -3.353 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 -1.760 -11.866 -1.735 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 17.237 1.071 -4.494 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 1.273 4.595 2.605 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 11.848 -23.465 -6.277 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 -1.903 25.137 -5.420 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 1.915 4.303 -4.966 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 -9.640 -13.537 -8.958 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 -17.357 21.359 4.482 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 3.663 5.614 -4.455 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 -3.739 23.142 2.290 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 -13.240 15.381 -11.874 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 -3.665 -0.547 2.617 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 4.720 -0.551 7.279 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 4.191 3.617 2.125 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 -4.739 -0.283 1.082 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 3.939 -2.731 -15.040 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 -9.935 32.095 -4.461 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 -7.486 -5.725 -0.546 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 -19.408 -2.860 -8.705 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 12.749 -6.389 4.993 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 6.803 1.691 -3.879 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 4.983 9.988 -8.185 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 14.401 8.201 -1.094 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 -0.631 0.756 -3.067 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 -4.554 12.237 -3.523 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 -3.874 -7.353 -0.436 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 -1.794 -4.673 3.680 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 5.904 -3.539 -2.062 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 20.248 7.388 -5.276 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 -1.115 -0.077 0.484 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 2.731 10.803 0.002 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 -5.245 -13.836 -1.012 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 -1.697 6.045 2.609 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 -11.517 -27.731 21.926 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 4.947 -0.572 14.764 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 -0.628 4.709 -6.869 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 -12.745 22.281 5.859 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 5.424 -0.635 25.953 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 -1.200 0.477 -4.411 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 8.993 7.194 -9.811 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 -13.520 -2.944 -2.383 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 1.805 -3.264 -1.755 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 2.216 0.428 0.725 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 -1.011 -6.973 0.349 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 5.301 -4.220 -1.453 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 5.111 -3.694 1.852 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 5.256 -5.397 -0.552 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 2.372 -2.934 -1.295 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 -12.084 5.652 2.776 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 17.133 13.158 -13.731 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 -0.334 -6.489 1.607 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 -16.698 9.526 -26.107 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 2.398 14.487 3.569 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 -2.002 4.385 -0.342 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 -4.777 10.556 2.611 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 11.197 7.633 7.029 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 -9.209 4.061 -0.265 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 23.887 6.139 -10.722 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 -19.248 6.163 4.040 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 -1.778 -2.929 -6.689 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 -3.506 -2.964 -7.208 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 -4.018 -3.022 -7.462 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 -4.895 -0.039 4.817 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 7.885 -17.886 -18.821 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 3.711 21.513 2.535 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 -5.978 3.989 1.484 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 -3.697 -4.006 2.033 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 -4.152 -4.771 2.647 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 -5.899 1.782 3.411 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 13.811 -12.760 -14.654 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 -19.898 -14.019 -2.310 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 -6.027 4.365 -1.438 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 -18.937 5.822 6.884 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 3.362 -1.224 -25.740 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 2.168 0.094 -2.475 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 8.649 -1.012 2.119 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 21.567 8.229 -8.816 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 -4.033 -3.611 -4.270 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 12.777 -20.947 5.396 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 0.548 -14.757 9.226 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 -3.399 3.808 1.112 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 9.214 -4.906 17.353 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 -12.341 4.053 -5.039 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 5.745 -1.475 -0.626 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 -6.086 -24.188 7.724 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 0.499 -1.049 -9.668 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 1.955 -2.031 -0.417 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 19.799 -15.246 -4.976 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 -14.420 -6.418 10.519 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 -1.959 -3.428 -3.784 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 3.958 3.423 -10.057 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 -5.159 -14.267 3.624 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 -0.502 2.346 -2.406 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 1.608 14.652 -15.440 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 2.387 -8.938 11.943 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 3.229 -6.041 6.613 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 7.078 -18.667 11.570 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 3.809 -9.482 11.100 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 -4.311 -1.863 6.262 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 -8.329 -4.473 32.201 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 -8.670 4.301 -19.563 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 1.125 -5.870 -0.411 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 -24.592 -2.693 -14.002 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 -18.482 4.667 -33.937 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 -1.365 0.376 3.562 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 1.252 -2.482 8.530 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 8.061 4.026 -13.242 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 3.892 5.839 -1.756 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 -1.519 8.959 17.585 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 4.848 1.780 -29.356 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 -1.894 4.926 0.114 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 3.334 -2.610 -0.593 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 1.656 14.996 -11.147 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 2.909 -1.560 1.473 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 15.486 12.249 8.461 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 -11.320 7.729 -6.706 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 -1.015 -3.672 -7.416 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 6.842 -2.648 6.508 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 7.124 -0.597 1.957 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 0.623 -0.563 1.087 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 -17.701 -12.464 12.315 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 27.767 18.633 -10.447 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 1.450 -0.538 -0.474 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 -4.434 -1.850 0.855 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 1.420 -1.416 -10.873 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 -0.446 -3.009 2.151 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 -4.090 -12.516 6.539 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 3.977 9.685 -4.473 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 -8.593 -0.556 -0.679 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 4.105 -18.805 5.882 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 -31.668 -5.955 3.672 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 -6.902 2.920 1.505 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 -3.892 4.818 1.119 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 -4.616 0.960 1.035 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 -0.104 4.050 7.065 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 4.015 8.292 9.205 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 -16.094 -5.940 -6.895 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 -2.746 0.690 -0.069 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 -7.487 -10.324 18.753 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 -15.719 -6.489 -14.766 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 -5.669 8.702 -4.193 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 2.029 -3.737 -8.768 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 -4.749 -11.223 1.423 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 -3.304 0.594 -5.275 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 -10.256 -13.286 20.639 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 15.771 16.350 5.302 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 1.595 3.240 -0.420 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 16.244 -6.240 -9.375 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 2.655 3.512 -0.268 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 2.848 0.008 1.237 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 -4.009 -0.169 0.128 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 11.966 -3.145 -5.129 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 6.496 -0.658 -1.316 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 14.555 4.205 -5.335 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 13.318 -0.921 23.811 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 -5.255 -2.868 -3.776 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 -14.483 -19.896 -11.477 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 -0.008 1.181 -1.743 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 4.778 2.104 4.063 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 -9.690 -1.776 -2.455 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 1.578 12.314 8.799 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 3.960 2.368 1.760 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 -6.581 -3.755 -3.879 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 -10.761 -2.802 0.419 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 1.030 -4.095 3.022 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 -1.993 -1.296 -2.729 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 7.528 -7.037 1.214 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 1.862 3.245 -5.740 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 -16.362 -19.366 12.658 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 -0.883 -0.513 -7.619 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 6.724 -0.982 -4.040 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 5.174 3.187 -13.962 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 8.361 -12.161 16.071 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 1.552 3.088 -1.857 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 14.030 -9.341 -16.326 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 3.289 2.790 3.449 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 -2.512 -6.121 -0.938 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 -7.310 -0.947 -11.809 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 -1.053 -4.499 1.205 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 8.146 -0.100 -4.699 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 -3.650 -11.575 -1.182 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 -2.181 7.733 -3.429 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 -0.772 2.506 -4.217 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 -6.736 1.204 2.222 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 36.790 1.616 -1.605 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 1.308 8.291 6.729 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 27.021 -13.558 0.582 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 8.220 4.056 6.727 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 4.098 -3.778 2.412 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 -4.687 -5.465 -14.548 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 -5.592 -26.110 -8.702 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 -0.575 3.462 -5.561 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 -13.464 11.692 5.263 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 3.755 -20.633 -0.195 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 0.944 -1.576 5.016 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 10.708 -8.543 -31.275 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 5.576 -3.607 -11.514 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 -0.076 -3.368 -0.099 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 6.569 7.789 -1.587 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 -1.354 -5.427 12.049 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 -4.275 -6.553 1.427 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 17.944 25.263 3.157 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 -5.933 -21.703 20.025 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 -0.527 -2.148 3.252 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 8.806 12.651 0.616 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 -3.507 -2.457 8.600 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 2.576 3.322 -2.470 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 2.631 3.751 8.136 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 4.493 8.780 -7.872 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 -5.687 -0.752 -3.946 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 1.406 -3.726 -5.759 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 -12.109 -13.012 1.975 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 -0.051 -2.406 0.297 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 1.746 -1.144 -4.264 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 14.988 -1.998 -18.281 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 2.487 2.604 -2.259 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 26.986 3.489 -4.477 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 19.663 5.815 15.861 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 0.506 1.707 1.499 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 -9.323 2.730 -17.035 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 -1.636 1.238 -2.285 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 -0.060 0.485 -4.449 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 -10.171 -28.014 4.948 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 -17.558 8.821 -9.312 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 1.849 0.899 1.666 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 2.263 -20.172 14.534 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 -27.306 -3.024 15.253 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 3.880 1.511 -0.524 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 13.394 -3.761 10.818 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 16.125 18.421 6.479 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 4.614 3.748 1.140 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 -3.139 0.981 -2.095 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 18.189 4.957 8.381 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 -0.111 2.234 -4.722 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 12.581 -1.294 0.910 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 -6.255 1.372 0.204 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 5.951 -3.552 0.809 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 14.305 -6.198 29.484 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 1.904 27.816 6.245 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 0.252 -2.083 -7.074 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 4.020 -3.567 -21.778 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 -17.644 -16.944 -1.279 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 -3.899 1.589 -0.984 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 -2.723 2.388 -0.875 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 11.603 17.531 0.296 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 5.202 -6.238 5.961 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 -9.323 -8.465 3.637 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 2.384 13.343 18.985 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 1.017 4.746 -1.036 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 -2.218 4.191 2.824 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 -8.730 3.870 7.747 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 -3.148 -4.334 4.012 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 -3.230 -3.668 6.993 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 21.020 -14.039 6.251 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 0.596 2.042 3.293 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 11.869 -5.776 6.227 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 5.068 13.222 0.667 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 1.887 3.681 -7.377 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 -1.338 10.021 -8.020 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 2.130 11.742 -24.480 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 3.350 1.761 0.041 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 -6.391 -1.761 -16.669 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 7.321 9.478 1.369 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 -4.731 1.720 -2.396 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 -8.420 4.704 -14.710 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 -13.593 -0.862 -11.839 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 -6.075 -3.143 2.096 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 7.499 -13.353 4.636 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 7.257 -5.985 -14.610 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 -1.818 1.047 0.851 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 11.463 11.558 8.700 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 -23.134 -16.382 8.535 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 4.283 -7.061 4.990 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 -7.646 0.126 19.648 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 10.598 8.650 -3.636 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 2.164 -0.544 -3.425 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 6.371 0.033 -0.137 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 -6.460 -9.744 -4.877 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 0.183 -3.359 3.593 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 -5.921 5.107 9.543 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 6.886 -3.201 6.150 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 -2.238 6.541 -8.939 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 -2.655 9.534 -8.993 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 3.784 -5.278 -8.262 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 1.247 5.044 -0.073 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 10.881 24.222 -3.629 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 -6.061 4.541 -19.704 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 9.101 -1.519 1.120 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 6.226 -36.662 17.992 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 6.771 2.543 6.823 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 -1.301 3.184 0.166 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 -7.611 -6.703 9.586 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 -2.166 20.504 5.676 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 5.213 0.853 0.301 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 0.185 4.023 -8.906 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 1.502 1.371 -3.779 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 6.379 -2.378 -0.899 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 10.921 1.506 12.374 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 10.267 -1.228 4.766 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 0.104 7.965 -4.734 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 -12.255 9.884 15.644 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 0.453 -12.255 -9.143 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 0.511 -3.168 -2.055 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 -4.407 0.791 2.673 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 7.803 0.821 -3.649 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 2.793 -4.836 -4.839 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 26.409 -25.255 -0.511 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 -7.500 -24.722 2.445 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 9.100 -0.166 -0.269 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 8.691 -32.779 -29.251 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 -5.756 10.483 -5.273 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 1.119 -4.897 -3.660 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 1.526 7.392 6.899 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 1.124 -11.757 -10.046 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 0.053 -7.869 0.623 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 -6.489 -3.761 16.900 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 -13.357 -13.988 8.261 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 -0.656 1.534 -1.881 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 8.681 -7.953 -19.783 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 16.347 3.354 1.189 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 -6.026 -5.958 -4.258 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 -7.295 -7.035 -4.194 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 8.442 -14.292 -4.500 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 4.275 -3.473 -6.759 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 -14.342 12.143 -3.242 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 20.343 -23.300 -8.564 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 -2.825 -3.701 -6.716 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 6.690 9.526 -7.048 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 -13.453 -16.768 -10.376 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 -1.975 1.165 0.402 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 0.755 -3.090 0.247 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 6.861 4.594 -1.082 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 5.120 6.120 3.267 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 7.984 13.182 -3.551 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 0.840 -3.066 3.414 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 -7.230 -2.121 3.892 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 3.592 0.720 24.235 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 3.643 12.872 2.036 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 1.427 0.239 4.447 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 12.311 4.521 25.066 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 3.057 -13.810 11.665 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 1.580 -5.414 0.581 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 -1.715 -22.865 -3.015 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 -6.072 -12.005 8.338 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 6.327 -5.444 -3.513 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 -0.679 13.498 23.363 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 -0.576 -2.602 20.440 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 2.432 -2.503 5.219 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 -2.728 -2.289 -3.537 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 12.539 3.888 3.659 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 -3.968 -0.181 1.800 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 -2.770 -7.034 42.146 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 9.305 -8.514 6.150 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 -0.174 0.758 -1.403 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 -8.167 -2.656 -20.118 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 4.997 -22.374 23.252 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 -4.172 -4.885 11.098 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 -4.378 15.305 -15.622 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 -2.874 -11.623 15.766 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 0.373 -0.626 2.342 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 -4.039 26.457 -18.347 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 -28.343 -4.343 20.131 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 5.578 0.961 -1.298 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 -0.867 -1.922 -1.428 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 5.769 3.694 3.174 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 -8.024 3.349 3.921 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 -10.051 7.790 -9.172 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 2.663 25.566 -9.358 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 7.273 -7.026 -1.139 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 14.037 -14.054 15.545 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 -8.070 -7.510 7.486 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 2.262 0.217 -1.575 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 2.391 -13.539 6.825 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 -16.053 37.180 -2.120 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 0.963 1.152 3.258 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 -2.752 -4.991 21.281 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 10.753 8.099 -21.473 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 1.459 -0.993 -4.654 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 0.855 12.909 -12.400 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 1.639 8.813 -13.452 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 -5.171 -0.446 -3.170 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 -3.436 -2.618 -11.462 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 -18.728 -11.917 -13.738 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 1.390 -2.498 3.345 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 6.277 -6.961 0.840 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 4.142 3.378 3.284 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 -7.021 -1.930 2.299 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 3.818 -25.216 14.829 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 23.131 -21.291 6.107 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 -1.607 0.399 -1.116 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 -0.162 5.008 -0.007 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 2.543 -13.594 -4.461 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 -1.057 3.040 -5.056 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 1.467 11.767 -16.812 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 4.346 -7.922 1.206 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 -1.371 1.630 -5.157 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 -4.782 -5.710 -12.543 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 -5.986 6.842 -14.779 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 1.886 -3.176 -3.061 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 19.262 7.061 10.085 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 2.583 -12.219 -12.870 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 5.906 11.373 1.785 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 -4.978 5.580 10.875 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 0.349 -3.277 12.534 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 6.103 0.905 -0.151 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 2.992 4.440 -1.899 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 -4.458 -2.621 -20.249 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 3.828 0.514 -2.102 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 -3.402 -4.257 -26.702 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 17.528 29.037 7.738 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 4.787 -0.248 2.940 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 10.034 -0.071 12.442 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 12.162 0.979 17.083 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 -5.640 -0.604 0.218 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 -8.744 -11.922 -3.350 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 26.213 9.446 16.829 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 4.831 1.206 -8.697 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 -10.975 -1.478 -10.718 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 11.208 6.161 -21.359 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 1.849 0.577 -2.182 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 3.213 -9.752 -4.351 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 10.746 -8.132 -14.750 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 1.218 -1.050 2.153 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 -8.194 -8.840 6.844 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 -9.950 -1.105 4.765 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 -2.597 -0.391 -5.212 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 -3.363 -2.790 -5.422 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 -7.790 -24.596 -4.016 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 -1.778 1.881 0.273 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 -0.127 7.189 -4.188 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 -2.641 2.741 6.540 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 -4.589 1.988 1.315 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 -6.565 1.718 4.703 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 -2.737 -2.066 8.620 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 3.432 -1.818 -2.247 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 3.399 -6.315 0.325 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 5.365 8.212 6.645 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 0.737 2.383 3.109 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 -22.286 26.006 -14.214 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 -21.257 8.873 -3.186 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 6.115 0.959 -6.074 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 -0.733 7.100 -15.156 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 5.209 4.090 1.419 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 0.322 -6.565 -4.678 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 -6.692 -21.484 -16.353 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 -24.068 -42.671 -20.047 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 -1.615 -5.614 3.220 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 -20.099 -16.106 -8.198 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 -11.886 -21.711 -0.038 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 -0.692 -6.461 5.403 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 14.958 17.361 -13.247 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 -3.329 -0.647 8.734 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 0.643 -2.786 -3.601 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 3.617 -6.333 1.872 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 -4.284 2.125 -0.349 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 -4.746 8.188 -11.350 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 16.235 26.531 -5.468 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 -25.873 7.109 -14.346 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 -9.520 4.780 -8.095 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 -21.882 -4.114 -8.750 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 -3.366 13.984 -5.533 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 0.556 5.759 9.725 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 -16.985 -2.290 1.286 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 25.560 9.661 -0.764 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 -8.412 4.923 4.975 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 -1.205 -6.546 12.499 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 -7.136 -6.406 8.907 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 -5.011 0.407 1.223 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 -6.158 8.003 -6.043 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 -5.929 -3.285 15.821 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 -1.615 -6.786 -4.495 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 -19.614 -8.313 14.267 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 7.101 6.432 -7.317 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 0.682 -0.350 1.937 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 0.202 -3.168 -10.724 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 18.300 6.453 -2.895 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 0.915 -2.219 1.377 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 18.475 6.938 9.402 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 -2.573 -4.267 -21.407 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 -2.540 3.753 3.095 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 1.634 3.852 0.241 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 -1.043 19.730 -11.517 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 -0.557 5.872 3.354 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 -13.319 -20.165 -0.155 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 -0.094 7.355 -10.761 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 -0.307 -2.102 -0.112 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 -5.644 0.782 4.420 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 22.786 -8.664 -17.582 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 -7.778 -1.690 3.384 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 -14.348 -12.608 -10.517 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 -14.495 -12.153 -14.933 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 -1.226 -0.652 2.433 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 4.673 32.971 3.149 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 -30.559 -6.086 -9.568 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 1.378 -2.623 -5.606 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 11.225 -9.669 4.518 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 17.536 -16.270 10.413 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 2.005 -1.512 -3.467 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 2.189 13.243 3.337 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 -6.162 15.578 -4.969 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 -5.964 5.114 0.805 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 21.085 13.657 10.549 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 -22.716 -0.098 0.961 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 -3.524 0.906 -3.920 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 -7.756 -9.071 -18.743 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 9.194 -1.928 -3.562 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 -2.543 -4.428 -2.178 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 2.726 -1.971 -3.691 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 -12.034 0.237 3.641 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 -4.435 -0.315 0.924 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 5.095 10.343 8.420 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 14.125 24.955 14.738 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 -6.612 -3.927 -1.963 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 5.395 -10.275 -5.810 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 14.210 -17.190 8.677 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 2.629 -5.584 5.916 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 -1.545 -22.574 19.936 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 22.692 -22.195 19.363 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 1.391 7.669 -2.711 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 7.983 -1.696 -8.623 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 6.398 1.215 -21.235 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 1.768 2.137 0.321 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 8.307 -2.771 -4.801 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 -0.797 11.224 -21.014 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 -2.424 -4.889 -1.710 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 -2.647 -1.384 -0.093 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 2.605 -3.057 0.091 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 -6.333 4.945 6.291 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 -26.189 1.276 -13.949 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 -14.418 3.760 21.946 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 -0.967 0.322 -1.661 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 -4.574 -1.209 2.408 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 -5.173 -4.349 8.388 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 2.057 -0.182 3.424 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 1.990 -3.177 5.609 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 4.248 3.466 -3.502 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 -0.123 -0.143 1.207 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 4.818 3.600 25.607 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 0.145 -12.264 -15.350 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 -2.414 -1.787 -2.324 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 -17.974 -6.858 1.281 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 5.816 6.652 16.249 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 -3.035 4.695 -2.209 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 -2.413 -9.689 -8.520 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 -6.971 8.854 15.228 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 -1.216 -0.001 0.424 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 -8.817 -5.982 4.748 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 -13.304 8.933 -1.393 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 -0.301 -2.557 2.075 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 7.418 4.325 5.835 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 1.832 -0.845 3.422 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 0.686 4.610 -4.007 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 13.670 15.769 -6.468 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 6.026 10.312 0.408 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 1.435 5.151 9.095 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 3.926 -16.437 21.981 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 7.083 7.086 10.491 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 -0.686 6.737 4.799 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 -3.539 16.166 -4.481 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 0.753 2.098 8.688 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 3.583 1.899 0.890 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 10.728 4.647 3.322 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 6.068 15.565 5.457 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 4.446 0.152 -3.352 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 12.392 9.285 -6.753 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 -7.714 -10.659 2.298 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 1.746 -0.924 4.079 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 14.138 -13.454 24.396 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 -5.977 -20.238 -9.843 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 1.022 2.008 6.688 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 -5.632 -8.629 7.213 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 -13.374 12.993 -14.887 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 -5.606 0.616 0.301 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 8.929 8.528 2.145 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 -16.896 14.250 -13.654 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 0.390 -8.287 -4.840 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 4.842 -15.014 15.028 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 -5.655 -5.482 20.606 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 9.043 1.900 3.475 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 12.669 7.286 1.453 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 11.458 -1.125 2.118 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 -0.924 0.106 -6.093 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 -11.957 -12.174 -11.535 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 -12.063 -0.197 -4.134 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 4.443 0.342 -4.935 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 11.062 -1.494 -0.418 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 -10.033 3.928 -10.721 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 4.231 -5.601 3.451 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 -22.250 8.935 -8.435 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 -5.967 5.427 -12.490 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 -0.719 -1.696 -2.321 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 -18.144 -7.352 -6.253 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 4.737 -16.442 0.977 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 -2.162 12.208 1.969 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 1.634 23.477 -4.419 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 -2.844 10.405 2.977 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 -2.139 -9.175 2.395 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 -3.252 -3.329 -4.707 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 19.160 5.216 3.440 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 3.408 -1.939 2.333 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 8.399 -3.964 0.978 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 -1.075 -0.369 12.757 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 -5.736 -4.965 -1.715 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 -2.676 -10.402 -9.624 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 8.755 8.521 -11.687 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 6.831 -3.137 4.416 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 -8.618 -18.261 10.304 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 20.081 -1.395 17.539 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 4.082 -5.459 -2.233 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 6.433 3.590 -7.315 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 -7.753 -28.468 6.451 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 -4.227 8.078 3.463 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 -10.836 -15.022 -10.728 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 3.727 4.925 29.964 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 -3.597 -4.796 -0.162 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 -21.632 -11.906 1.437 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 2.986 -19.737 4.463 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 2.423 0.263 -2.099 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 0.528 -7.425 0.609 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 -26.654 -16.075 5.750 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 -3.305 -1.312 -2.288 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 35.137 9.761 -16.761 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 -12.343 3.993 18.314 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 -4.613 -3.702 1.074 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 -13.048 -8.148 -20.534 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 3.756 -10.066 -1.521 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 1.833 1.160 3.239 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 -6.183 3.909 1.636 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 -2.123 0.094 1.782 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 3.196 2.899 -1.104 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 7.355 -1.836 -5.883 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 7.166 -0.231 -5.716 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 -0.741 0.406 -5.460 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 0.752 10.803 -28.246 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 14.876 -12.176 -0.108 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 -0.518 -2.183 4.023 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 16.461 2.145 18.560 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 -4.830 24.681 5.709 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 0.043 0.792 -0.581 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 -8.407 4.906 -10.121 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 -3.176 -6.449 4.632 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 3.283 -0.356 -5.320 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 13.990 13.028 23.840 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 6.490 1.003 -21.108 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 0.118 10.487 -2.589 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 2.385 -8.728 -19.433 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 -0.850 14.624 3.968 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 -0.713 -2.437 -2.788 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 11.967 9.550 -8.665 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 -22.657 -12.006 4.710 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 1.264 -0.213 -0.416 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 39.987 2.131 5.526 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 -21.033 -9.501 -4.034 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 5.505 -5.252 -4.037 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 -15.214 -19.211 -12.022 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 2.237 24.406 17.966 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 -7.776 -0.657 2.339 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 -8.913 2.869 2.792 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 -0.596 -31.080 -23.336 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 -4.392 -5.908 -2.464 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 21.783 -0.337 11.914 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 -4.238 -5.672 -11.529 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 8.512 -3.871 -4.790 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 11.632 -5.369 -0.656 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 14.886 -0.114 -6.546 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 7.149 6.180 4.249 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 -13.162 -23.440 -13.309 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 -25.203 -11.310 6.300 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 -0.571 0.432 -0.221 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 10.576 8.202 -5.010 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 9.562 -3.876 -23.564 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 1.943 -0.700 5.766 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 19.659 7.776 4.260 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 4.792 -7.222 8.028 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 -2.621 -3.442 -1.614 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 -7.461 5.122 24.032 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 -9.225 -5.880 20.738 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 -0.353 -3.109 3.864 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 7.354 10.904 -0.246 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 -19.032 1.517 -10.597 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 4.928 4.142 1.169 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 17.975 12.334 -4.624 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 2.272 8.693 -0.847 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 -1.357 7.325 7.391 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 -18.776 16.078 -7.393 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 -8.403 1.612 -6.662 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 5.939 -2.278 2.370 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 -15.255 2.813 1.937 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 -16.462 -3.556 9.598 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 -0.868 -2.661 6.392 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 3.566 -6.101 -7.631 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 -2.387 -0.747 6.404 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 -0.104 -0.017 -4.080 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 -0.855 2.664 -2.834 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 -3.250 1.738 -7.045 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 -0.624 -7.387 -2.467 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 -4.477 -7.091 -22.681 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 5.178 -8.776 21.554 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 5.188 5.104 -4.466 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 1.179 22.351 -16.973 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 -16.003 0.700 -13.835 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 -0.454 2.857 -2.419 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 8.259 -2.977 -10.666 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 5.418 3.890 7.905 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 1.561 -6.277 -1.790 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 11.381 -3.138 4.234 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 1.308 -0.919 -12.699 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 -2.739 -1.254 3.426 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 3.201 11.767 9.836 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 8.957 25.470 19.226 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 -4.220 3.336 5.512 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 -12.357 14.357 -0.649 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 4.128 -2.511 -5.179 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 -6.190 5.243 -0.195 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 -4.370 6.112 -1.097 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 -7.420 10.678 -7.746 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 0.561 -0.403 2.736 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 -1.089 -28.629 4.305 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 -19.343 22.367 32.660 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 -3.960 6.518 -0.085 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 1.119 2.826 -2.991 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 3.981 8.989 -5.527 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 -0.983 5.169 -2.840 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 -8.124 2.481 13.235 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 4.335 4.293 -2.005 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 2.731 3.060 0.028 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 -22.363 -9.837 3.624 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 -18.815 -5.833 0.675 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 2.297 7.610 2.426 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 -31.342 -0.913 15.557 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 0.727 7.331 3.125 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 -7.966 1.792 -1.247 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 29.226 18.926 0.218 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 -0.477 4.100 -4.945 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 -6.937 -5.157 3.262 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 -5.374 -0.280 10.876 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 -5.626 1.822 -6.500 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 3.898 -6.141 7.860 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 11.948 -9.824 13.480 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 -15.199 -1.441 10.345 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 -5.677 -2.961 -2.396 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 29.914 2.534 21.477 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 -13.951 0.351 -17.632 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 1.255 -2.270 -4.163 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 -13.629 -4.707 6.413 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 9.264 26.647 -1.186 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 -7.755 1.884 -0.507 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 6.618 -11.918 -15.704 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 2.997 -23.694 -16.815 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 5.293 -3.588 -5.191 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 -11.727 2.936 6.855 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 1.009 24.792 -4.216 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 0.535 -2.804 -2.599 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 8.707 -1.861 -17.421 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 4.139 -2.702 -9.706 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 -0.510 1.982 3.017 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 14.653 -0.477 -0.636 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 -1.941 2.297 6.357 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 7.152 1.536 1.777 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 5.247 -1.301 9.523 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 9.400 -2.836 12.600 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 1.470 -2.440 -1.458 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 6.319 3.226 28.276 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 -6.567 5.527 1.817 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 -3.234 0.702 -4.117 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 1.226 -3.819 23.576 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 -8.309 -4.308 14.471 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 2.685 -0.352 -1.372 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 -20.432 21.482 16.485 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 17.410 -14.053 -10.976 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 1.564 -2.823 -4.371 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 8.983 1.008 -5.952 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 19.524 -2.979 -15.447 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 -5.197 -1.326 7.230 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 8.738 15.125 -1.217 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 1.433 -0.460 23.243 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 -2.423 -0.267 -11.196 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 -6.081 3.400 -20.351 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 -0.114 -26.902 -1.522 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 4.352 -0.090 -2.149 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 0.865 -8.245 6.610 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 15.753 -1.038 -2.163 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 1.689 1.281 -2.207 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 -15.550 8.999 -7.215 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 11.807 11.908 1.604 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 -2.944 2.715 6.807 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 -2.900 -0.061 9.627 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 -3.245 9.485 -0.045 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 2.236 1.968 3.310 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 -14.598 9.113 17.638 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 -8.147 9.246 -16.814 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 -0.360 2.923 -2.156 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 -9.823 9.475 4.446 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 18.071 5.700 -1.970 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 0.392 2.367 1.271 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 6.831 -16.604 27.477 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 7.049 -13.767 3.011 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 -0.150 -4.596 -2.894 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 10.243 -0.410 2.091 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 -3.423 1.555 -0.427 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 2.561 4.585 -2.715 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 -37.800 15.252 0.791 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 12.042 13.159 -1.230 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 9.127 -2.200 5.420 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 5.058 -29.762 3.881 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 -7.611 6.548 -12.911 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 0.886 -3.608 -4.064 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 10.147 -18.251 -12.555 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 -5.027 -10.561 13.064 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 6.008 -1.346 -0.208 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 -13.240 -6.374 1.024 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 13.054 16.771 2.385 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 -2.668 4.674 -0.655 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 -23.834 14.444 -18.226 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 14.504 15.222 3.821 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 -0.467 -4.004 2.648 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 9.315 5.063 -2.300 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 -29.914 -12.758 16.050 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 0.595 5.946 0.144 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 14.856 -5.081 -2.696 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 6.701 11.173 -8.279 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 3.223 4.261 3.696 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 11.119 -0.155 -2.698 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 17.378 6.774 2.116 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 -2.005 -2.885 1.957 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 23.288 -23.991 4.539 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 0.273 4.558 7.092 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 -0.001 1.617 5.682 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 0.079 3.638 -1.128 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 -1.451 8.488 -14.999 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 1.782 -3.455 -0.888 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 -19.740 1.175 2.611 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 40.375 -3.759 -1.388 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 1.924 -5.002 -0.382 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 8.972 22.095 1.801 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 10.093 -20.378 11.461 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 2.294 -2.080 -1.485 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 21.582 -11.275 8.049 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 -1.325 -16.008 -11.706 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 -1.741 -4.763 -5.646 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 -13.758 14.469 -0.844 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 -2.472 23.869 -17.318 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 -0.424 2.499 2.721 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 0.206 4.382 -5.227 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 17.111 -20.104 11.529 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 -4.410 -1.381 -1.631 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 -0.868 0.408 -1.623 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 5.083 0.796 -4.799 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 1.070 0.358 -5.854 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 -25.321 19.558 -2.147 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 -4.557 2.540 -14.326 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 -5.490 -3.151 3.851 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 -9.056 -4.448 -1.954 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 -5.200 5.693 3.832 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 0.736 -2.269 6.123 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 16.281 15.536 3.706 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 12.401 -10.477 9.627 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 -1.802 -1.181 6.043 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 -35.619 0.093 -3.992 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 -18.903 -11.601 -14.184 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 0.420 -5.312 -4.141 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 20.429 -0.323 -2.804 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 -10.176 -6.579 -1.939 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 -9.155 -1.689 4.667 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 -14.346 7.365 -6.822 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 -3.064 -12.061 18.473 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 1.496 -0.886 2.347 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 17.281 11.846 -8.197 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 13.142 11.286 -1.327 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 6.336 3.448 -4.979 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 -2.020 -4.482 17.736 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 21.742 16.611 -21.978 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 -4.750 2.810 -3.335 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 2.452 -4.993 15.620 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 -8.576 9.132 -22.859 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 2.138 -1.134 -0.243 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 30.662 9.607 31.209 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 1.442 -5.762 3.978 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 -2.445 3.417 -7.567 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 0.079 -7.902 10.236 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 -9.423 -4.714 22.414 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 4.593 0.186 -2.528 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 -8.530 -0.457 -8.197 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 7.843 13.584 -4.188 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 2.592 -0.146 5.887 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 4.085 13.936 10.527 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 14.431 0.818 4.481 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 -0.427 -0.117 -0.662 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 4.591 -5.672 -5.955 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 -2.786 -12.183 2.604 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 5.102 0.491 -1.033 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 -1.580 -13.363 3.578 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 5.212 -7.750 1.284 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 3.616 2.524 2.666 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 6.861 9.983 -25.245 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 24.973 1.871 -7.413 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 -4.501 -2.096 -0.345 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 -5.297 -14.327 2.107 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 -11.679 -5.457 -9.681 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 3.699 -2.276 1.243 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 4.974 14.625 -5.613 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 -8.791 2.106 -4.213 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 5.953 6.217 -4.809 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 1.439 2.840 1.103 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 33.343 12.383 -9.212 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 -1.567 -1.540 6.762 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 -2.963 -2.136 -8.914 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 13.077 1.843 3.904 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 1.413 -1.004 0.674 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 34.202 24.904 -4.125 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 -5.923 -7.087 -1.509 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 1.043 1.172 -1.562 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 0.317 -12.303 -3.887 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 4.725 -34.784 -3.417 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 -1.612 3.379 -5.725 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 -1.736 3.204 -11.304 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 4.324 -1.655 -0.232 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 3.747 -6.436 -4.390 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 0.174 -15.669 -3.957 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 3.653 -4.430 -19.701 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 3.802 0.578 1.221 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 -16.689 15.114 11.338 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 -0.454 12.295 16.943 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 -1.124 1.552 5.914 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 3.605 -5.720 1.860 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 -13.270 13.091 22.903 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 -3.500 -2.384 1.379 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 -19.680 7.679 8.715 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 -6.361 2.095 14.291 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 0.818 -3.327 1.189 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 7.472 -9.172 -8.955 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 11.947 13.238 -0.387 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 -1.432 -1.825 1.012 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 3.216 -3.053 7.001 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 -6.676 -7.502 1.453 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 -1.712 4.629 4.369 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 -5.245 -6.462 6.279 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 -11.720 9.698 -1.231 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 0.360 -8.019 -2.348 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 14.647 -8.184 -2.806 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 -3.984 -20.977 4.850 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 -0.451 3.215 1.117 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 -12.354 -15.064 18.568 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 5.498 5.577 -5.228 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 -0.865 0.473 -3.820 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 9.820 11.328 -2.942 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 -9.587 -12.329 -23.161 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 3.256 -1.058 5.527 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 6.798 12.292 -0.648 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 -4.144 -5.324 13.222 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 2.683 6.935 6.522 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 -5.732 -10.017 0.687 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 -20.845 -1.041 -16.534 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 -3.029 2.293 2.354 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 22.317 15.331 12.650 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 -5.778 0.885 0.853 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 -1.210 -4.722 -1.792 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 0.533 -11.987 3.566 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 -9.136 11.364 6.749 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 10.102 -1.578 0.533 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 4.749 -8.581 4.035 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 4.510 5.447 4.327 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 -2.482 2.117 -0.999 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 -8.690 -2.410 -0.914 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 -6.774 7.202 5.403 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 4.715 -3.221 -2.004 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 25.575 -8.943 37.220 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 -3.300 -24.069 -15.733 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 0.909 0.068 -7.480 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 -3.432 -4.283 -9.135 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 13.073 30.818 -2.048 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 -0.182 -0.763 0.129 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 13.796 7.876 -2.824 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 9.565 3.353 13.428 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 -4.574 -4.802 -0.987 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 21.426 -24.716 12.934 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 -12.594 -2.805 6.616 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 4.509 2.070 0.670 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 5.906 -4.346 8.729 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 12.181 14.929 -11.019 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 0.562 5.846 -9.792 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 6.850 16.106 -7.904 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 27.117 -2.607 -34.928 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 8.582 0.941 -2.075 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 9.007 -2.366 0.828 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 -8.663 -17.806 8.160 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 -3.249 4.424 -0.929 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 -1.029 4.511 -0.952 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 -7.502 -6.454 -1.063 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 -6.513 5.494 2.388 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 -14.100 3.165 -9.846 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 -2.909 7.372 -0.603 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 -0.256 0.336 -2.840 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 -23.640 -17.211 -14.578 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 -6.933 19.093 2.689 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 3.457 -0.756 2.925 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 9.039 -11.765 27.590 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 1.508 3.946 -10.589 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 1.900 -5.130 -3.236 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 -0.463 0.494 -15.330 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 11.025 -15.045 -8.139 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 0.524 -8.811 -6.551 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 16.431 -5.723 -2.121 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 -14.962 -0.286 10.280 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 -5.740 -4.524 -0.269 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 -22.866 6.295 3.596 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 -7.272 -14.311 -14.821 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 1.091 0.040 3.812 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 4.365 6.232 3.111 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 -7.161 -16.028 2.712 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 -3.456 5.751 -3.153 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 -15.994 -6.150 3.333 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 1.822 7.437 23.331 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 -1.254 -3.178 0.650 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 -9.188 -12.379 10.111 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 -8.592 7.779 -20.050 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 7.024 1.819 -1.783 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 -9.047 -5.502 1.180 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 5.153 2.318 -6.034 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 7.382 0.966 0.797 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 3.821 -7.141 -5.366 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 16.921 -6.286 16.065 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 10.576 -4.459 0.941 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 5.433 1.508 -8.569 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 12.283 12.893 -6.713 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 -2.535 2.555 -8.541 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 0.498 10.095 8.090 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 0.279 -2.463 -11.277 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 -4.969 6.124 -0.604 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 -3.842 10.427 1.866 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 -8.784 0.130 -9.322 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 3.853 0.963 -2.396 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 4.312 -8.885 -4.412 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 -6.165 -29.394 4.356 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 -6.068 -0.013 -0.877 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 -4.846 2.098 -6.570 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 -2.603 -2.828 -0.834 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 4.380 0.179 -1.015 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 -5.246 -2.179 -4.374 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 21.808 -12.840 0.696 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 -2.304 8.433 2.069 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 -9.638 4.093 2.431 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 -1.258 15.915 5.308 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 -2.533 9.066 -4.410 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 1.108 -7.451 6.204 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 -4.385 -11.042 11.554 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 4.637 3.433 -1.837 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 12.181 -5.745 10.189 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 6.223 -10.017 -6.110 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 -8.163 -2.424 -5.973 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 -7.590 8.744 3.529 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 -16.456 -9.012 3.006 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 4.912 1.826 -5.905 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 -7.703 28.854 0.106 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 24.590 -37.582 -15.893 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 -1.453 -3.995 0.811 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 -2.569 -2.583 3.936 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 -2.094 -0.008 5.999 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 3.217 -5.707 -2.837 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 3.183 -8.517 2.957 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 -3.483 -1.089 -7.790 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 4.083 3.490 1.437 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 -0.916 -12.517 -4.075 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 13.046 5.270 -3.433 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 0.045 -0.825 5.397 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 14.213 30.217 -14.583 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 -1.256 -15.253 2.628 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 2.389 5.111 -0.421 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 7.987 -9.648 2.385 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 10.358 -24.021 2.041 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 -4.327 2.026 6.324 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 4.208 6.864 2.378 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 3.598 12.005 4.704 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 2.185 8.484 -0.257 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 -9.977 17.639 -8.251 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 4.000 -0.580 -1.183 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 -0.293 -1.256 -3.538 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 -0.749 1.119 0.076 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 -1.678 1.080 -5.788 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 1.694 -5.387 -8.253 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 0.375 -7.120 -7.425 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 -10.801 -11.474 -1.021 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 -4.100 -5.284 -2.723 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 -2.756 2.502 -14.574 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 -14.648 -13.180 0.879 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 -1.084 1.416 1.787 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 -18.804 -13.657 -18.554 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 15.005 -29.182 0.353 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 3.728 2.675 -4.058 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 7.602 5.702 -3.908 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 12.118 2.591 10.038 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 -0.558 2.756 0.552 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 -18.724 -10.360 22.624 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 -2.529 1.172 9.223 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 -2.374 -2.360 -3.246 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 -1.267 6.569 11.328 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 -5.847 -1.257 9.547 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 4.269 0.449 2.620 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 22.073 19.234 2.931 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 -12.021 5.636 -22.808 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 4.339 2.823 2.282 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 5.645 -36.074 6.840 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 -0.970 6.929 3.258 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 1.840 -0.108 1.414 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 9.576 -3.587 -4.905 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 -4.150 -10.604 4.036 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 2.550 -10.313 -0.457 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 6.719 0.907 2.654 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 -7.546 -15.138 13.829 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 -0.876 -2.764 0.612 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 13.736 22.537 -13.925 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 19.620 -3.275 35.479 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 -1.648 5.168 -9.376 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 -2.208 -10.561 -5.894 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 8.058 0.789 -9.015 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 4.453 -3.595 4.789 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 -4.787 -4.957 15.583 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 8.677 13.640 3.715 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 -0.200 2.945 0.920 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 -4.101 0.462 3.120 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 7.622 -4.915 0.447 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 1.551 -1.463 -5.625 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 9.011 -7.122 -12.447 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 -19.793 -8.187 -16.661 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 0.834 3.195 -0.275 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 -17.378 -7.010 -5.679 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 13.910 14.103 -2.646 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 3.006 -0.791 -3.106 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 17.902 14.111 -11.404 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 -9.450 1.254 -3.800 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 -6.373 0.930 -1.354 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 -8.271 3.889 -11.631 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 -2.553 -3.379 13.964 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 -0.150 -1.267 -1.527 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 10.407 9.457 9.806 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 1.590 -2.830 0.996 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 -3.649 -1.232 -2.984 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 -26.707 17.689 -14.947 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 0.380 -16.180 8.833 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 -4.027 -0.257 -1.518 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 10.538 -8.096 5.489 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 -18.925 -14.088 -1.016 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 1.403 1.748 -2.075 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 -6.177 11.120 17.540 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 -2.775 -6.787 -11.663 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 -1.725 4.551 5.907 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 0.251 11.897 -7.989 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 -3.720 20.023 6.207 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 -3.460 6.472 0.707 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 -8.900 7.565 10.649 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 -5.192 -15.495 -12.082 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 2.030 -7.062 -3.149 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 1.941 -6.118 6.091 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 7.604 0.764 9.653 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 -0.475 -1.376 -5.366 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 -2.273 -0.973 -3.244 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 11.936 -0.204 -6.523 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 9.026 1.506 -2.158 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 -22.536 -11.093 16.895 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 10.717 3.220 -3.491 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 -0.734 3.097 -4.499 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 16.292 7.437 -17.041 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 -11.609 3.130 13.987 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 -1.150 5.992 -4.886 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 14.831 -12.435 9.184 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 -13.485 19.034 12.765 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 3.165 -5.893 -0.092 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 -7.126 -9.223 -8.278 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 23.749 10.480 -16.041 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 0.747 0.560 2.360 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 3.925 15.845 -7.160 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 -1.601 -3.966 -15.454 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 5.395 -2.698 2.080 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 5.593 5.009 17.229 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 0.546 -9.563 4.330 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 -3.000 3.228 1.446 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 -2.174 4.150 12.605 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 -1.332 5.087 -4.949 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 -0.417 2.858 7.592 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 7.684 11.553 12.577 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 1.943 -3.798 -2.453 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 5.362 1.071 2.805 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 11.663 -12.595 -2.504 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 -18.417 29.742 -9.933 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 5.569 -6.280 -1.954 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 7.093 -2.551 5.904 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 3.834 -9.407 9.928 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 -0.078 3.642 2.602 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 12.162 6.359 1.016 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 0.489 -5.845 0.945 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 1.826 -0.969 1.872 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 -8.210 4.430 11.822 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 3.431 -7.890 0.901 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 -2.713 -1.295 -4.650 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 -3.565 5.568 14.425 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 -3.309 15.135 -11.081 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 4.536 0.955 4.575 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 4.838 -14.440 -2.740 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 -5.671 -4.309 13.168 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 4.534 6.826 13.025 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 -1.066 7.570 6.655 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 1.856 0.151 4.304 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 2.602 -5.539 1.174 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 -19.682 -12.563 22.313 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 18.414 -9.327 -0.664 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 -3.040 -1.562 -4.469 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 17.849 -0.977 -1.795 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 -9.353 1.640 -9.087 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 -2.755 -4.636 -1.370 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 6.633 -2.461 -5.306 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 -10.071 3.165 -6.165 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 -2.842 5.879 -4.046 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 -17.722 4.002 -6.839 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 13.133 25.487 -11.608 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 -0.324 1.134 -1.185 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 -1.252 5.198 9.530 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 -11.406 -2.611 -4.380 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 -5.282 -5.517 -6.541 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 -10.369 -4.678 -16.820 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 0.018 -2.458 -10.168 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 2.945 1.326 -0.127 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 14.363 27.351 -8.005 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 5.263 -5.647 9.622 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 4.585 -1.247 2.003 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 -2.241 -3.491 3.070 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 -26.193 -7.182 1.223 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 -5.171 1.201 0.531 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 -16.081 6.638 9.720 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 -11.294 1.761 9.955 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 -2.779 -0.111 1.168 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 -32.840 -22.169 16.614 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 20.447 15.904 -2.045 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 1.351 -0.364 0.664 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 10.947 -32.046 -16.743 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 3.541 5.966 1.650 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 0.669 -6.440 -0.534 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 -4.309 -2.127 7.779 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 22.749 33.109 22.521 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 -0.106 -3.572 3.315 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 -16.266 -28.525 9.210 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 4.962 1.873 -3.627 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 7.610 4.458 -0.566 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 -13.452 12.055 -10.542 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 1.946 -11.451 12.348 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 -5.525 1.527 -6.165 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 8.529 -14.648 5.696 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 -4.295 0.374 -5.604 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 -0.251 1.368 -0.606 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 -7.409 2.873 -15.914 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 -1.943 10.803 -3.600 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 -0.948 -3.845 1.920 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 7.547 -12.018 6.071 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 -1.308 -4.711 2.987 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 -9.359 1.282 -3.404 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 -7.252 0.795 -1.022 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 -14.749 12.846 -4.362 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 -4.079 4.654 -3.934 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 -9.352 -17.706 8.569 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 -22.443 20.576 2.062 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 -5.016 0.643 -0.102 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 25.859 -0.615 -5.648 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 -3.493 -5.694 2.651 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 -4.382 0.632 -6.007 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 5.623 -10.201 15.279 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 -16.901 -15.053 -4.516 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 -3.580 -2.295 0.764 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 1.846 -7.484 -3.485 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 -3.516 3.176 -5.969 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 2.278 2.144 2.824 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 8.591 18.960 -7.969 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 9.585 23.633 -10.555 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 1.284 -2.273 2.846 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 3.670 6.089 5.450 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 -4.436 15.284 -1.041 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 -1.477 -4.996 -4.679 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 -4.023 13.904 -8.995 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 0.823 -5.890 -3.966 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 -0.057 -2.181 -1.068 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 6.604 32.262 24.496 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 -9.105 8.974 -4.830 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 -1.906 1.912 1.457 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 -15.746 4.907 -17.590 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 -8.250 16.739 13.150 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 6.215 6.580 1.133 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 16.458 -1.358 5.783 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 11.494 -8.970 5.770 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 -13.235 1.733 -1.690 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 -6.805 6.782 4.143 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 -16.977 1.633 1.153 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 3.645 2.274 -1.427 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 12.259 23.388 -13.684 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 -0.052 -16.367 -25.480 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 1.462 -4.081 -2.235 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 -24.645 0.497 0.983 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 -2.340 -2.854 -4.303 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 1.188 -0.178 -3.693 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 2.309 -8.614 -10.499 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 -7.018 -4.825 -6.550 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 3.184 0.644 8.862 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 -9.417 -3.163 3.736 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 15.449 -0.727 -6.357 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 -5.605 -0.027 -1.592 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 -16.745 7.200 1.415 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 -5.758 -1.405 -15.423 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 2.552 5.930 0.732 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 14.344 7.554 20.973 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 13.742 3.226 23.129 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 -4.544 0.033 -4.858 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 -6.197 3.854 -4.176 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 -8.382 2.018 -3.407 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 3.528 -1.598 3.021 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 -1.856 -0.398 -0.355 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 3.243 -6.035 5.929 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 1.911 -1.549 6.833 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 -3.102 -2.364 -23.009 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 1.770 -0.170 12.426 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 4.458 -2.414 -4.584 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 11.161 -2.860 8.066 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 -3.030 1.954 -13.541 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 2.088 -2.398 -2.042 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 -8.698 15.085 -0.022 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 -0.001 10.708 -9.874 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 -6.520 -3.773 2.270 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 -4.379 2.371 36.825 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 -15.310 -17.602 1.282 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 -1.258 8.143 3.147 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 4.807 -6.846 0.348 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 8.192 -17.263 -4.683 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 1.773 -5.359 -2.535 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 4.989 3.005 14.233 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 -1.386 0.345 -11.778 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 -1.140 9.671 -1.959 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 22.065 -5.967 12.015 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 10.831 11.107 14.695 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 -5.285 -4.074 6.853 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 13.959 -14.471 -14.181 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 0.409 -9.698 -1.805 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 1.562 1.107 -2.115 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 0.726 -3.067 6.710 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 16.418 1.998 16.320 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 3.965 -2.185 0.339 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 -13.585 -11.544 -6.512 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 15.538 -3.068 1.899 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 3.191 2.018 6.972 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 -12.607 4.703 16.743 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 -7.755 -16.653 -18.552 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 -3.294 -0.849 -1.076 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 19.144 -1.959 15.360 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 21.222 0.219 13.009 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 -1.279 4.194 -8.095 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 -2.509 24.740 -12.334 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 -6.333 -4.349 -6.388 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 5.169 2.207 5.602 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 -7.818 25.619 7.309 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 5.581 -19.913 1.182 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 -1.475 -2.770 3.536 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 -0.306 7.950 -20.395 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 18.738 6.538 14.041 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 0.859 1.069 -0.750 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 -0.305 7.425 -4.827 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 -2.553 0.178 10.523 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 -3.321 -2.923 0.744 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 -3.498 -1.974 0.615 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 -5.954 3.974 -0.464 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 1.364 -3.303 -0.134 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 17.002 -7.248 2.499 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 -19.764 1.322 -3.322 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 4.609 -4.874 9.836 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 8.761 -11.849 19.173 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 6.238 0.230 1.918 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 5.080 2.266 9.117 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 -15.963 -2.335 8.990 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 -11.249 -19.626 7.445 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 -4.661 1.567 -5.223 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 -12.486 -4.192 -2.363 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 -0.289 4.762 3.351 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 -5.545 1.036 1.022 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 -22.188 -19.800 4.945 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 -1.376 15.956 17.906 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 0.688 3.596 5.598 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 5.560 -0.018 4.447 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 5.703 -1.640 5.540 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 4.200 2.630 4.623 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 -9.129 -9.541 7.011 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 -14.579 -17.638 1.063 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 0.463 -2.775 -1.158 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 4.969 -25.090 13.647 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 -0.841 0.696 -3.836 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 8.516 -3.459 -0.274 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 7.302 -3.989 -5.422 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 4.959 -4.973 5.396 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 0.742 7.113 -1.665 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 7.039 9.765 24.916 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 4.192 11.629 1.545 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 -4.817 0.170 -1.646 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 -9.213 -15.211 -6.181 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 -24.730 3.612 10.903 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 5.813 -1.110 -7.208 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 5.618 -17.502 -4.925 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 -2.737 -13.836 -29.881 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 -0.567 4.090 -0.178 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 13.144 1.106 -2.918 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 -1.332 2.640 17.462 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 -8.615 4.284 -4.585 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 -10.842 11.103 8.754 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 9.107 -13.239 2.293 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 3.695 6.906 -6.651 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 8.944 15.014 8.393 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 18.994 4.666 -16.990 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 7.199 5.573 1.565 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 13.754 7.438 3.309 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 6.531 4.527 -5.157 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 -2.813 -1.796 7.056 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 -21.058 -6.362 7.389 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 -1.024 12.664 21.392 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 -1.513 0.026 7.611 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 4.518 1.545 0.743 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 -7.454 -3.356 2.798 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 -2.734 -2.575 -3.690 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 -26.657 -3.868 21.196 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 -10.974 2.901 1.627 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 0.416 2.345 -3.731 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 -3.402 7.332 -5.169 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 -28.537 0.839 -0.745 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 9.868 -4.740 0.567 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 18.779 14.535 -30.626 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 -17.629 10.084 7.068 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 -4.582 -1.960 4.623 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 -6.395 16.430 -0.412 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 -20.487 9.420 -11.466 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 -1.020 0.329 1.354 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 -10.260 -1.791 -8.584 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 -14.914 16.061 -13.351 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 0.195 10.865 2.252 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 -3.305 -12.721 -3.337 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 -8.466 14.202 12.518 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 -3.426 5.207 4.618 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 5.543 -3.398 -2.094 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 3.725 -12.030 -7.849 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 2.056 3.116 -0.264 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 -16.959 -8.957 0.807 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 29.398 -6.794 -13.720 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 2.922 8.173 0.225 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 1.010 6.965 13.188 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 -2.005 7.317 -5.259 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 4.497 3.504 -4.407 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 -0.025 -18.989 28.343 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 -12.791 6.877 10.405 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 -2.981 -4.029 -2.056 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 24.708 8.243 -43.741 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 20.869 -12.466 5.598 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 1.170 -3.699 -1.451 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 6.317 -5.552 -16.316 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 -10.988 -3.489 -1.213 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 -1.510 -1.513 5.440 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 13.343 0.505 0.506 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 -7.686 9.688 4.613 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 2.065 -0.197 -6.539 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 -3.063 -9.322 -14.539 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 -6.123 -1.278 -9.605 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 3.133 -1.326 -4.929 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 8.806 0.191 -6.607 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 -5.057 1.640 -12.052 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 1.159 1.593 10.028 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 1.233 8.048 20.116 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 -6.862 -5.695 18.551 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 2.514 -5.481 -2.046 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 -4.239 5.193 0.395 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 9.682 8.449 -5.730 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 -3.335 -5.351 -4.364 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 21.247 -8.423 -10.503 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 22.854 -7.358 7.437 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 -5.775 5.092 -3.252 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 -12.663 14.811 8.125 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 -7.496 8.857 12.568 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 -3.665 2.331 -1.735 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 -6.912 -0.494 3.201 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 -15.586 13.460 10.634 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 1.512 -1.669 3.068 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 1.735 -2.376 4.607 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 1.963 -1.431 -4.089 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 -0.774 -0.300 -4.051 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 -19.049 1.246 9.422 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 5.198 -13.385 -18.020 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 4.499 -0.889 3.992 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 -7.846 -5.671 14.626 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 -3.490 -2.617 14.168 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 -0.410 5.573 6.838 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 -10.267 3.631 4.495 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 4.676 -16.366 1.271 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 -0.518 -1.755 -1.642 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 3.904 0.703 -8.414 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 -3.106 10.058 6.270 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 4.450 2.193 -3.775 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 0.122 -1.024 -24.055 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 -6.285 23.643 8.660 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 -1.903 3.966 1.153 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 -20.661 -21.703 -9.168 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 20.816 5.354 -11.025 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 -3.772 -5.007 -6.237 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 19.123 4.453 -6.399 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 -6.349 -14.359 -7.337 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 -3.842 4.890 2.882 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 -4.392 6.810 4.073 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 22.524 -26.598 1.303 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 2.220 -3.894 2.724 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 13.028 -5.215 -7.966 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 -3.260 -1.820 -3.486 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 2.414 4.403 -4.175 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 7.662 3.099 -0.271 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 -2.142 -3.751 -8.333 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 -2.099 8.028 0.482 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 5.636 -1.363 17.017 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 -11.058 8.888 -11.098 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 2.890 8.074 2.768 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 5.535 6.264 -19.064 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 -3.573 13.049 -27.875 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 2.464 -6.649 0.886 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 4.964 -21.026 7.908 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 3.062 -8.664 -3.202 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 -1.909 5.354 -6.332 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 -2.037 5.599 -6.512 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 -3.677 1.391 -7.179 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 -3.580 -0.832 -4.841 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 -1.539 -11.441 -0.213 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 -17.383 -16.055 15.729 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 5.532 -0.754 -2.846 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 16.522 -3.743 -8.634 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 -25.476 -3.841 19.842 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 -1.101 -4.398 4.726 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 4.844 0.286 10.680 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 0.836 -6.592 18.942 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 -2.847 1.687 -2.422 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 5.145 -3.188 -0.308 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 -2.696 9.098 3.090 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 0.813 -4.900 -1.573 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 3.515 -20.166 -10.578 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 -24.492 -21.177 11.545 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 -0.607 4.589 0.999 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 -3.286 -2.285 -4.009 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 5.421 -6.421 -3.207 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 1.702 5.004 -0.940 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 8.512 5.642 -6.325 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 -5.327 -2.436 -24.822 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 3.344 -1.251 2.019 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 14.446 -8.849 26.311 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 13.315 32.957 -3.285 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 0.298 1.830 1.727 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 17.867 4.494 4.664 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 -18.466 5.141 3.809 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 -0.959 3.232 1.893 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 -13.117 -2.345 -5.025 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 11.127 4.310 -8.655 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 0.714 -0.394 -2.620 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 -3.762 0.529 2.698 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 -2.790 2.896 -6.839 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 0.267 -1.923 0.788 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 15.284 9.803 7.629 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 -10.492 -15.760 -12.955 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 6.751 8.647 6.095 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 -13.216 -2.280 -4.535 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 -4.393 18.322 -3.158 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 -1.694 -0.923 -0.047 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 10.064 13.054 -7.448 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 -7.585 -1.737 9.007 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 -0.014 2.856 1.347 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 9.085 -5.340 9.817 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 -12.352 -5.520 0.600 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 0.771 -9.008 7.949 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 10.589 -10.903 1.362 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 -14.123 -15.952 -4.735 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 -4.295 0.580 0.137 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 -5.238 0.803 4.019 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 14.392 13.757 -19.822 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 1.732 6.797 0.220 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 -12.163 -8.657 -18.675 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 21.882 1.524 -1.028 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 -1.338 3.158 -2.282 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 10.354 23.229 -4.890 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 -13.530 4.508 16.188 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 6.094 9.810 -2.949 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 -9.779 8.968 -15.488 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 28.124 11.285 12.492 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 -6.942 -3.074 -4.679 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 8.349 -5.572 9.246 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 16.046 6.805 -1.228 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 2.576 3.550 3.112 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 -7.744 -2.447 7.575 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 3.890 6.011 7.575 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 -0.070 0.566 -3.723 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 -7.453 -19.890 2.356 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 -0.184 -6.887 -2.757 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 1.810 2.934 1.795 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 7.164 2.317 -1.233 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 -16.189 -8.962 10.307 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 -0.503 -4.115 0.246 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 0.311 -2.233 -13.511 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 6.356 -4.607 1.295 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 -4.092 1.999 -0.294 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 -6.433 3.758 -7.247 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 3.569 4.722 -0.712 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 2.620 -2.613 2.003 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 14.464 -7.990 -4.738 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 8.862 11.742 -29.202 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 0.470 -1.506 1.019 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 0.731 1.655 8.992 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 5.084 5.232 -5.506 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 1.341 0.044 2.991 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 1.477 3.595 8.747 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 5.003 8.559 19.881 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 0.613 4.389 -0.794 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 -0.723 -3.534 -9.482 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 -9.698 9.461 -0.284 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 -2.590 -3.878 1.773 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 -25.048 -7.322 16.989 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 -1.581 -4.199 0.909 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 1.905 -3.781 2.059 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 2.856 -13.768 6.596 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 3.765 6.883 6.540 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 -1.552 5.254 4.154 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 -5.772 10.318 -6.780 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 8.746 -1.467 1.310 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 -0.755 -5.486 -7.355 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 23.163 5.953 -12.259 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 22.477 -0.900 -12.686 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 -1.579 0.505 1.410 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 -18.040 12.270 8.647 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 19.142 -2.452 -24.521 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 0.764 -0.609 1.845 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 -5.631 -4.402 -17.800 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 13.509 -15.827 4.806 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 2.660 -3.673 1.305 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 -4.470 -7.585 -5.271 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 -1.092 -20.074 -16.620 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 -0.027 2.395 -2.692 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 -3.994 6.777 -1.008 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 -1.916 1.166 -8.164 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 0.859 -3.007 -3.075 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 -9.900 -13.044 23.591 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 24.016 0.987 -19.876 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 -1.849 1.877 -10.632 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 5.949 16.686 0.566 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 7.166 -7.794 -11.335 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 0.096 1.956 -5.028 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 16.888 -7.747 8.307 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 -14.802 10.526 -17.066 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 -0.832 1.885 1.508 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 -4.123 2.998 5.823 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 -2.622 1.814 5.587 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 -0.902 5.942 4.767 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 -9.790 -1.110 5.895 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 -2.302 4.712 -3.544 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 -3.802 2.085 -1.770 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 2.922 7.152 -13.148 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 -7.380 -0.169 2.895 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 -5.217 -1.755 4.314 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 -1.212 -3.742 -3.234 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 -4.906 5.804 6.154 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 -11.123 2.643 -1.889 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 -2.774 -17.149 -2.645 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 10.285 -17.356 38.438 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 -6.503 1.952 0.270 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 -3.487 -1.788 14.010 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 19.183 -3.538 16.721 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 -2.555 1.470 -1.751 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 -7.711 -3.755 13.051 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 6.098 -4.908 -8.333 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 0.893 7.995 -2.360 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 4.912 26.851 5.129 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 -14.420 2.048 11.891 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 5.879 -2.855 -1.718 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 4.315 -1.551 0.443 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 6.165 -4.171 5.510 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 -5.495 4.817 -5.510 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 -9.661 -2.959 -2.104 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 -4.946 6.434 -5.772 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 2.022 3.684 -4.841 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 11.737 -1.148 -1.252 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 3.679 8.264 -15.921 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 1.749 -2.051 2.145 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 10.811 -7.619 0.817 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 -7.197 -4.146 19.826 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 0.759 2.454 -1.239 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 -10.487 -20.121 16.531 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 26.937 9.990 8.651 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 0.064 4.672 -4.653 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 1.359 2.076 -9.448 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 -8.432 8.644 2.568 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 -3.290 5.181 -1.362 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 7.634 21.559 2.221 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 17.137 -2.071 4.215 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 3.366 -1.542 2.510 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 34.371 17.763 4.674 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 0.697 -10.441 -32.193 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 -2.155 -9.272 4.072 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 10.238 8.737 2.942 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 -5.904 -16.685 4.280 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 1.008 2.658 -0.229 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 3.738 3.050 -5.143 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 -2.130 -6.795 -0.603 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 0.769 -2.911 5.872 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 11.367 -17.457 2.956 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 -4.951 5.251 5.395 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 -1.041 0.435 -2.882 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 -0.586 -27.755 -1.155 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 -3.800 -10.648 -4.354 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 -5.364 -6.092 3.895 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 -1.892 -9.221 6.053 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 1.249 -0.151 11.525 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 4.412 -1.484 -0.341 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 14.742 -11.389 8.461 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 -1.224 -3.376 7.620 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 -0.624 -1.706 -0.442 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 1.392 -18.808 16.563 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 -11.623 28.630 -10.249 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 -1.353 -1.069 -10.153 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 -5.629 2.415 -21.797 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 -13.864 -0.342 16.974 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 -2.533 -3.789 -8.869 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 -5.805 3.333 5.576 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 5.780 -11.268 -47.696 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 -1.662 1.665 7.136 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 -7.195 -17.669 1.355 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 -7.209 18.763 -12.120 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 0.836 -0.119 -1.614 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 -0.164 -9.579 -17.529 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 -27.383 -2.454 -24.080 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 1.317 -7.033 3.013 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 -5.717 -10.315 -17.862 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 1.840 13.503 2.643 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 4.544 -0.572 2.016 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 -14.692 -9.679 11.743 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 13.701 4.853 15.937 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 0.127 4.407 7.245 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 19.294 22.228 3.644 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 5.985 2.768 -18.839 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 4.351 -5.418 1.685 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 -3.374 -4.911 -20.156 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 -12.578 -16.127 13.452 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 -0.117 1.819 -1.073 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 2.421 -4.972 14.423 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 -16.283 -1.640 -4.432 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 -1.656 -4.614 -9.725 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 -7.115 -8.700 7.759 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 12.144 -24.116 -2.901 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 -2.655 -2.693 -3.232 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 -4.835 2.236 13.651 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 6.267 0.630 -1.218 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 1.695 -7.143 3.012 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 8.753 -2.852 27.809 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 -1.728 -9.863 -2.026 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 0.534 0.284 6.191 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 -3.634 15.379 -5.196 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 -13.773 13.238 -2.243 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 -2.539 4.113 -1.710 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 14.623 -2.561 10.540 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 1.933 3.083 12.399 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 -1.416 4.322 -5.926 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 -38.252 9.969 6.082 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 -7.622 -3.610 -9.664 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 -3.514 6.193 -2.772 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 -12.042 -5.265 -1.453 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 -4.055 -7.632 -27.043 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 2.943 3.076 -0.679 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 5.306 -3.151 -4.308 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 -4.424 21.774 1.601 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 -5.363 -3.272 4.949 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 -6.259 1.787 -19.071 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 3.985 3.997 -0.819 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 2.040 -1.115 2.575 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 -1.482 1.216 -10.767 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 4.821 -1.569 8.501 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 -1.107 -2.345 2.782 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 9.905 12.291 -1.299 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 23.641 -17.534 -24.547 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 -2.819 4.047 -5.549 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 -1.120 15.318 -4.726 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 -6.634 -12.863 -7.134 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 0.084 0.637 0.201 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 -11.363 -16.198 25.600 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 -11.508 27.018 1.531 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 -0.217 5.170 -1.433 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 17.841 -15.489 11.377 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 -10.560 13.733 -4.902 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 5.290 2.581 -2.290 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 6.570 -0.735 -1.943 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 8.647 4.437 -3.078 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 -3.178 3.673 11.147 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 1.211 -4.270 -5.865 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 10.862 -1.606 -1.582 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 -4.089 -8.940 2.516 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 20.323 -3.727 13.099 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 7.545 8.517 -8.558 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 -3.699 7.829 3.292 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 -3.528 15.100 -26.210 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 6.695 25.227 9.004 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 1.408 -1.550 -8.647 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 13.741 10.111 -4.727 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 -10.244 -9.458 -9.186 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 1.823 2.024 -0.933 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 16.613 -8.850 -2.227 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 12.207 -3.798 -1.068 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 1.445 4.219 -2.205 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 0.244 -15.960 4.181 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 -10.841 -10.017 -0.860 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 -0.306 -5.517 0.405 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 1.534 12.623 16.769 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 -17.363 -39.971 7.547 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 2.788 0.362 0.479 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 -15.048 -13.048 5.050 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 5.461 -18.242 8.427 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 2.183 1.439 4.664 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 12.693 -6.101 6.727 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 -4.433 -7.986 14.805 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 -2.180 7.025 2.727 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 6.173 2.266 -24.543 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 -3.428 8.453 -30.038 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 -8.422 -3.195 -0.255 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 1.723 6.659 -1.974 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 4.066 31.023 -15.486 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 2.902 0.815 -2.972 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 -1.021 -9.189 -12.293 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 24.583 18.526 16.265 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 0.287 1.549 3.170 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 -0.199 -1.012 3.727 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 -0.304 8.594 2.234 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 -0.802 1.275 2.722 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 12.494 16.379 7.397 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 8.150 11.627 3.472 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 3.060 1.877 5.972 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 -12.905 8.540 25.986 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 21.096 14.136 4.991 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 6.234 -1.636 3.271 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 10.950 4.088 12.198 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 1.721 16.279 -0.697 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 -0.912 8.606 7.913 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 22.463 7.190 -13.689 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 -5.346 20.634 8.801 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 -4.813 -9.351 1.610 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 -12.230 -10.096 0.995 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 -12.017 -11.649 1.994 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 -8.458 1.509 -4.383 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 4.226 -19.244 -11.241 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 -15.318 7.552 0.627 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 -5.788 -5.758 -2.868 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 -5.329 -6.809 2.859 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 -10.125 -3.225 -15.050 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 4.041 -3.852 -0.724 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 16.962 -8.652 1.073 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 1.731 -32.697 3.986 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 -2.070 0.737 1.830 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 -8.324 17.101 -10.353 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 -6.665 -15.520 -15.009 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 -9.410 -1.775 1.435 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 -27.137 -13.338 22.881 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 14.009 -4.932 -0.488 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 2.691 2.857 -1.108 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 5.703 -15.436 -4.695 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 0.799 2.577 16.450 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 5.629 -0.671 -2.112 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 -16.854 -8.612 0.799 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 -1.233 2.469 1.859 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 1.102 0.526 3.473 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 -9.532 9.472 4.985 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 6.766 13.115 -15.940 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 -0.709 -7.979 3.176 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 -1.034 -4.490 0.825 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 -20.897 -2.087 0.284 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 7.897 5.541 4.629 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 -3.022 -3.873 4.340 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 12.388 7.335 7.250 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 -7.018 2.439 0.172 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 3.953 10.819 -0.176 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 -2.721 6.029 1.640 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 0.416 1.858 2.067 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 -2.404 2.896 2.952 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 -0.015 11.047 -14.861 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 3.462 -0.766 3.613 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 -7.510 20.983 -2.909 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 -2.198 -10.166 6.918 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 -2.829 0.676 2.762 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 -6.693 0.566 6.078 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 2.071 -0.959 6.397 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 -3.623 -2.223 4.821 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 15.367 -6.776 -17.136 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 21.206 -5.437 -19.842 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 0.446 2.055 -0.364 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 7.673 -9.442 10.224 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 -4.980 3.524 27.128 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 -0.539 1.972 -3.938 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 1.097 -4.480 -4.927 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 25.493 33.738 3.692 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 -4.542 -5.009 2.030 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 3.138 -10.506 10.657 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 2.818 2.762 -12.555 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 -1.020 0.557 5.340 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 -34.503 -13.833 -0.176 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 13.992 -7.778 -3.199 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 -0.871 -5.351 -4.410 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 0.748 4.293 2.045 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 0.412 12.216 7.002 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 -3.178 -1.507 0.167 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 13.499 3.583 -7.530 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 -19.709 12.434 -5.526 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 -0.623 5.154 -3.130 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 -19.669 3.532 -8.267 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 -12.166 1.020 -14.165 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 -0.321 1.233 3.060 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 13.441 -16.817 -20.671 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 -9.591 1.899 20.805 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 -5.397 1.640 2.798 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 5.809 -9.954 -9.068 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 -23.480 -11.780 7.786 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 1.998 -0.329 -9.815 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 31.547 0.269 -16.393 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 3.826 5.840 6.702 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 2.323 -0.992 -0.394 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 4.817 -6.049 -0.747 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 14.706 13.909 4.819 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 -2.095 -1.785 -2.383 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 -12.541 -6.037 -1.034 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 2.715 14.599 -3.825 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 -1.887 9.308 -0.780 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 -1.033 11.719 -7.752 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 3.923 14.883 -19.466 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 2.746 0.833 -3.635 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 14.804 -4.907 11.897 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 -11.638 -10.872 -16.470 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 -7.531 -0.146 4.082 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 -19.762 12.285 22.066 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 -11.142 -39.158 3.720 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 3.465 1.446 -4.926 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 -14.862 4.971 11.299 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 -2.197 31.183 -7.816 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 -3.118 -6.179 4.572 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 -8.814 -9.086 -9.537 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 1.907 -0.229 -7.970 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 -2.551 2.428 -6.461 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 9.898 -3.121 -2.530 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 -4.143 16.865 -1.579 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 2.267 2.078 2.817 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 -34.122 -8.596 -3.262 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 7.241 14.239 -27.669 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 -1.536 -0.548 1.736 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 24.432 0.620 8.826 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 5.838 -1.599 3.456 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 -0.158 4.453 3.456 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 -9.387 23.397 19.958 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 -18.278 17.184 -6.379 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 0.005 3.693 5.382 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 4.740 7.212 17.067 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 10.420 -10.130 3.296 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 6.840 1.267 3.093 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 10.526 -6.549 -1.199 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 12.333 -16.871 9.057 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 4.123 -1.372 3.295 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 -1.083 3.679 -0.324 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 10.181 22.353 1.659 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 6.541 -0.475 4.993 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 8.756 0.889 7.090 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 -6.217 -1.179 2.271 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 3.475 -5.321 -4.517 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 11.933 3.912 -2.529 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 2.590 -4.576 -6.000 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 -1.829 -1.373 -4.816 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 -25.199 -10.047 -4.731 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 -4.008 0.342 -8.379 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 0.654 0.672 -5.747 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 10.477 -11.698 -3.406 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 4.750 8.458 6.970 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 -3.049 3.854 0.589 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 -4.363 -1.696 -2.446 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 -10.139 7.168 -4.104 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 -6.574 10.805 -1.533 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 0.565 18.811 -1.885 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 -4.969 7.306 -10.154 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 -3.577 7.634 2.639 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 12.649 6.463 9.233 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 7.446 28.162 0.133 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 2.202 -3.016 4.780 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 7.866 -19.830 9.822 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 -0.723 -10.977 -14.172 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 -0.637 -6.894 5.920 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 0.937 -9.683 -1.705 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 20.485 -15.226 10.673 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 1.245 -4.979 -3.200 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 -19.403 15.087 20.948 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 -4.217 0.855 7.987 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 2.844 8.250 -2.062 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 -8.132 -6.135 -9.328 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 -10.147 2.040 16.290 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 -2.911 -1.267 2.448 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 -2.801 -8.163 -2.638 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 -1.978 3.969 -1.680 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 2.122 -1.925 0.906 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 5.061 -1.187 6.698 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 -8.069 -4.662 0.173 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 -2.799 -0.301 3.237 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 31.882 -18.304 -5.131 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 6.732 10.701 -13.161 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 -3.208 -5.233 -1.347 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 -1.950 23.316 6.888 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 -1.333 13.449 7.885 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 5.408 -1.781 -5.031 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 11.326 4.868 -6.404 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 0.667 -4.577 -13.930 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 -4.179 1.642 -2.209 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 -2.566 -9.380 -1.854 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 -3.376 13.497 2.413 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 -7.122 1.700 0.574 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 5.554 -2.906 4.909 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 1.780 -1.688 -0.093 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 -2.504 5.197 2.751 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 4.475 1.090 2.025 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 -16.355 2.271 -11.720 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 6.570 1.109 8.122 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 0.634 -1.402 -6.113 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 8.848 -0.621 7.737 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 3.604 3.712 2.199 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 3.489 10.365 -1.881 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 11.383 0.089 -3.155 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 -2.673 -0.554 6.904 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 -0.728 -4.214 4.895 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 -5.896 -6.017 5.336 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 1.883 -7.526 -7.290 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 -10.535 -14.822 -9.790 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 14.081 -16.364 -1.098 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 -3.533 -7.043 -5.949 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 -12.617 -2.795 -11.835 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 1.564 -8.437 -0.674 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 -3.382 4.766 0.688 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 0.076 -3.964 -0.340 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 11.738 -1.352 -4.484 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 -4.028 5.954 10.839 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 -19.441 5.455 16.468 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 4.996 5.142 4.305 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 -3.379 3.051 -2.278 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 21.877 -3.921 -18.447 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 -28.309 7.284 -2.601 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 0.288 -3.827 0.449 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 -7.181 16.101 16.909 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 -1.930 -15.518 -1.296 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 2.342 -6.250 -1.333 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 5.081 -9.273 6.078 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 6.059 -9.535 4.930 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 6.270 2.350 -5.000 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 9.049 -21.450 -10.083 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 5.789 4.941 -4.925 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 2.465 -2.624 1.470 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 1.258 -5.531 -17.355 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 -4.266 25.183 9.168 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 2.929 1.175 -4.945 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 2.537 2.077 -14.012 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 -15.550 -3.067 4.799 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 1.930 -1.407 -6.428 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 -35.188 3.913 11.978 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 18.356 -4.019 -15.372 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 -1.584 0.040 8.323 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 -6.706 -4.191 9.115 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 -2.808 -13.952 9.819 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 -3.933 -2.345 2.706 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 -11.059 9.711 -6.228 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 7.340 -8.148 -33.180 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 0.470 3.466 -2.100 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 3.890 -11.681 9.737 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 5.126 -1.161 3.812 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 0.587 3.789 0.920 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 -7.267 -3.727 16.736 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 -31.361 3.786 -9.117 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 3.014 -0.433 4.498 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 2.258 6.820 10.337 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 10.099 7.260 12.915 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 -2.109 -1.676 -0.647 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 -30.213 -9.158 -5.142 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 -6.495 24.395 -1.335 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 2.537 -2.842 -4.632 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 -1.839 -24.201 12.038 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 -4.753 -5.680 17.026 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 5.462 4.569 -0.107 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 -4.936 6.535 14.724 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 8.573 21.205 -4.953 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 4.404 -3.183 -5.138 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 -23.733 -13.050 -22.021 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 -17.345 -9.714 -15.615 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 -3.360 -2.986 -1.102 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 -2.507 -17.376 -3.497 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 3.533 -1.018 -21.051 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 -2.615 -7.574 0.035 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 4.956 -8.556 -5.384 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 -20.977 -16.692 1.081 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 -1.385 -7.164 1.240 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 -22.847 7.537 5.961 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 -18.199 4.858 4.877 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 -0.636 3.883 -0.103 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 -10.156 3.637 -0.703 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 -4.247 -17.160 -10.371 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 -2.902 2.864 -5.628 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 1.427 16.207 5.754 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 13.619 -3.371 -11.639 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 3.658 3.003 -2.017 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 5.728 9.506 0.561 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 5.651 5.597 -0.812 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 6.733 -5.133 -2.601 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 -6.507 0.917 -9.597 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 10.404 -6.921 -3.114 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 -0.689 -0.543 -0.405 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 -5.350 2.281 8.157 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 -1.191 -9.738 -1.142 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 0.955 -5.012 1.408 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 3.601 -3.524 -3.454 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 1.698 -4.462 -5.882 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 -4.750 -1.738 3.418 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 14.740 0.349 -31.919 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 -10.294 -5.260 10.590 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 -2.613 6.112 -3.477 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 -10.755 -21.296 -15.417 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 -10.501 16.225 1.033 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 -0.419 -2.001 7.324 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 7.915 25.402 5.833 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 25.480 -9.961 4.289 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 5.652 -4.196 6.051 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 -9.075 5.332 16.150 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 -7.085 5.668 -9.762 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 -5.355 0.906 -2.213 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 2.984 2.365 -11.418 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 -14.820 -6.866 -8.205 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 1.306 2.537 -1.892 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 21.001 16.569 3.057 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 -2.331 0.727 -2.548 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 2.076 7.716 -0.177 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 -11.504 -0.586 7.437 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 19.326 19.798 -9.319 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 1.036 6.419 -1.944 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 42.825 -17.015 -18.614 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 -5.293 -22.897 3.444 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 6.167 1.199 1.494 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 7.044 15.487 20.446 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 3.779 -6.432 10.545 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 -0.951 -2.815 -0.020 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 8.005 9.485 16.386 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 5.017 1.767 6.809 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 3.337 7.594 -3.200 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 22.375 -23.907 7.618 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 0.417 6.814 5.815 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 1.236 1.743 6.930 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 -6.355 5.688 7.021 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 2.151 -13.585 1.091 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 0.253 4.177 2.835 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 0.984 -17.710 3.913 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 -12.620 8.054 -0.475 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 -0.923 1.579 -1.126 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 -5.372 -3.523 -8.253 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 -12.671 2.136 1.006 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 3.643 -1.285 -3.714 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 9.747 -8.642 11.065 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 -0.098 5.196 -11.794 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 3.415 -4.411 -6.046 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 0.305 5.260 -7.363 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 3.043 -11.431 24.637 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 4.221 -3.294 3.547 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 -0.102 -7.728 -8.369 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 13.768 14.044 7.264 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 4.224 -0.192 4.590 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 6.956 -1.436 6.497 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 4.462 10.877 -12.015 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 -2.998 -1.644 2.662 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 -3.422 2.309 2.050 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 -10.910 -15.193 3.429 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 2.729 -3.321 -4.515 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 3.130 -15.935 18.409 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 -10.912 -16.208 14.878 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 2.616 1.126 -9.259 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 6.693 22.969 6.830 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 -5.343 20.810 -9.258 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 -0.227 0.375 -1.311 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 11.012 9.214 4.621 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 4.337 3.701 2.675 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 3.862 -4.799 -3.057 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 4.423 0.713 -4.111 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 5.173 -11.452 -4.623 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 0.348 3.557 10.016 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 -1.546 -10.807 10.558 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 -1.248 2.785 -29.325 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 -8.093 14.885 4.820 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 -5.886 9.839 6.139 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 9.515 -19.362 23.011 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 -4.309 -3.252 -3.113 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 -2.199 2.307 -5.519 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 -0.140 -4.024 1.119 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 4.990 7.369 7.543 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 12.842 -20.132 5.745 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 10.486 19.377 -3.637 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 0.761 1.716 -0.536 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 10.380 -0.153 9.266 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 -2.096 4.911 -7.269 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 -1.866 -1.089 0.310 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 4.119 16.595 -6.718 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 4.651 16.082 -7.327 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 2.890 0.249 6.592 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 21.528 -12.035 -16.518 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 9.682 -15.861 8.474 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 -1.702 -3.094 -7.488 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 -5.277 9.157 2.825 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 -11.338 -3.124 -29.810 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 4.025 -2.940 6.767 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 1.218 15.398 26.193 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 -1.199 9.016 22.619 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 -2.859 -5.638 -2.337 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 -7.043 -14.354 1.935 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 3.573 9.755 -11.323 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 2.470 -2.334 0.699 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 12.169 0.481 -15.743 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 -21.503 -4.734 25.037 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 5.448 3.974 -1.742 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 19.142 12.333 -3.890 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 -10.935 -5.210 -13.821 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 3.158 -4.529 -1.643 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 10.462 4.369 -9.779 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 -8.831 -8.647 -23.005 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 -2.063 0.849 1.595 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 16.760 11.619 -7.137 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 1.751 3.591 4.809 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 1.341 1.666 -1.780 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 0.730 9.814 -21.489 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 0.637 4.325 3.728 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 3.540 -6.439 3.613 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 -7.631 1.813 7.547 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 -10.057 -18.296 -2.806 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 6.361 0.694 0.057 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 -8.053 10.317 -15.280 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 14.330 12.170 -18.036 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 -1.793 -2.479 3.062 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 19.392 3.762 1.621 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 -8.394 -8.523 -15.415 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 0.052 -1.356 6.170 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 -24.633 -16.605 12.896 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 0.220 -0.809 8.326 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 -1.325 3.032 -1.703 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 -0.990 8.321 11.500 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 7.213 -15.509 -4.141 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 1.698 3.096 11.186 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 3.065 3.027 17.421 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 6.172 -21.573 17.456 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 4.293 -0.730 -6.653 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 6.520 -7.192 9.919 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 17.473 8.708 -5.534 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 -1.163 7.419 1.771 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 -5.464 -0.460 3.299 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 -3.446 -6.307 -10.619 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 -2.626 1.938 -1.922 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 -18.666 27.799 15.391 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 11.841 -14.304 14.089 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 1.490 9.105 1.875 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 10.156 -7.675 -6.247 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 25.082 -18.346 -8.158 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 3.266 -1.993 8.433 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 -13.536 10.729 32.899 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 22.063 20.945 0.526 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 -1.058 -1.444 3.261 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 26.350 -18.845 21.971 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 2.345 -4.510 1.932 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 4.654 -0.477 -0.698 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 0.945 -24.372 -10.781 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 -2.081 5.957 0.279 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 0.707 1.764 4.839 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 0.414 0.800 12.153 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 1.649 10.205 6.164 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 -6.045 -2.891 -4.476 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 1.325 3.726 -8.298 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 -27.020 -27.164 1.857 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 2.589 4.126 -4.845 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 8.286 -1.173 5.260 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 6.500 -1.317 -7.241 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 1.776 4.857 0.900 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 -13.294 5.963 -7.398 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 -24.609 22.716 -8.868 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 1.255 -0.870 1.320 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 -18.364 1.648 -6.122 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 16.177 9.677 8.758 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 2.314 9.638 1.720 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 17.852 19.470 16.480 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 -5.201 34.546 0.858 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 0.257 -6.402 4.010 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 -12.329 -0.362 11.094 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 6.753 -2.346 8.697 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 -1.030 -1.014 4.739 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 2.741 4.149 13.702 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 -1.768 -10.854 19.663 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 1.768 -0.251 3.155 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 21.022 2.973 0.899 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 3.637 -9.127 -1.047 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 -4.676 2.225 6.741 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 -10.640 1.093 11.411 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 -12.116 -4.440 10.381 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 7.231 6.043 1.569 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 -14.453 -0.753 -7.616 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 -0.991 11.117 15.403 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 -5.398 -2.565 -1.218 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 0.697 -6.121 -0.863 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 14.923 -8.935 -17.957 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 1.146 -1.801 2.405 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 -1.589 1.922 2.521 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 5.018 -6.916 -4.443 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 -1.814 2.989 7.059 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 7.656 13.455 11.010 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 20.176 5.633 4.028 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 -0.878 -2.263 -4.060 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 -14.684 -4.722 -24.362 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 3.222 -2.548 5.922 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 -0.913 1.596 -3.163 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 1.072 -7.851 -8.943 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 -4.057 -16.446 -0.379 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 -1.595 6.925 -1.846 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 -8.381 0.561 25.294 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 -17.964 21.346 -8.773 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 4.761 5.074 -0.929 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 -7.490 0.281 -5.330 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 0.021 23.939 1.334 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 -2.425 5.047 0.065 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 2.841 -15.285 13.072 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 -8.734 13.103 -5.297 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 0.585 2.584 -3.296 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 2.817 -8.761 11.577 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 -17.017 -15.666 3.984 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 6.492 4.863 -4.922 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 -9.880 20.504 -1.022 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 -12.377 -9.638 -20.490 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 7.073 -5.363 0.993 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 8.224 -21.275 -9.960 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 7.882 -4.157 2.823 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 3.943 0.222 0.769 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 2.442 6.354 2.377 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 1.250 -0.155 -1.111 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 2.441 8.466 -2.916 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 -21.172 5.149 13.592 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 -0.979 -14.986 -6.222 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 -2.637 -2.363 2.116 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 -11.302 0.391 1.016 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 8.172 -9.301 5.033 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 -0.958 2.755 -0.564 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 -13.954 2.591 -3.372 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 5.596 4.509 -14.067 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 -3.200 -4.468 -3.364 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 -3.193 11.458 -10.605 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 -8.087 -10.913 -3.371 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 -2.078 -5.416 1.016 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 11.912 6.478 1.603 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 0.535 -23.210 -1.693 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 1.602 4.398 6.374 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 8.810 -3.133 -4.187 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 -0.283 11.848 4.665 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 -5.222 -2.167 -5.095 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 -2.027 -2.979 -5.180 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 -9.419 -0.872 -3.270 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 -1.271 -4.342 8.044 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 -0.559 9.444 0.250 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 6.464 -3.693 14.354 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 1.902 -7.094 -0.589 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 6.950 6.287 -5.695 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 -12.263 -8.979 10.647 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 -2.035 -2.476 0.979 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 14.301 19.043 9.631 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 21.650 6.155 0.429 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 -0.842 7.406 -0.677 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 -11.462 -6.949 -13.931 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 -2.307 6.675 -3.400 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 -1.614 4.054 -2.653 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 -1.708 -0.192 -5.001 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 0.494 -1.568 3.022 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 0.028 -2.980 -1.695 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 -12.741 0.693 10.103 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 -2.447 -20.670 20.588 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 4.927 -1.917 -6.846 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 -11.484 -5.847 -7.800 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 15.382 17.297 -14.741 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 6.416 -4.843 -6.099 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 8.784 -12.935 -16.649 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 19.790 -21.948 -26.660 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 2.812 -2.844 3.390 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 -2.017 -6.074 0.218 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 11.702 -9.678 -3.954 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 -2.668 6.457 -0.624 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 -9.558 7.404 1.122 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 -9.972 -10.530 12.147 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 -5.726 2.783 -4.629 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 -10.579 -5.107 -5.735 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 -5.037 11.265 7.637 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 -0.504 0.355 2.439 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 10.499 14.081 -0.621 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 2.328 12.731 -10.979 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 1.069 3.333 4.165 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 -8.462 -9.982 11.810 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 -1.200 -0.904 6.784 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 0.850 -9.985 -1.973 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 -16.336 3.501 18.420 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 -7.512 -3.141 8.606 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 -5.255 -0.491 1.397 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 -2.199 -5.251 -10.081 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 -5.509 13.132 32.562 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 6.967 2.007 5.741 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 5.190 -10.935 8.699 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 5.549 -11.866 8.353 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 -0.876 7.940 0.838 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 -12.855 16.477 -1.837 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 -23.386 23.783 -4.294 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 6.191 -2.280 4.433 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 -19.922 15.995 -8.212 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 4.795 -2.007 -19.011 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 2.481 6.242 5.494 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 -5.660 0.119 24.717 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 20.458 -4.364 -6.969 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 8.342 -1.929 1.024 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 3.734 0.901 -6.538 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 8.895 -5.156 16.888 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 -5.713 6.587 2.258 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 -8.150 24.124 -22.152 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 10.900 -10.049 -10.662 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 0.708 -1.582 0.959 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 2.463 -1.618 7.252 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 2.449 -10.319 40.535 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 2.150 -7.348 2.798 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 -21.652 -8.054 -5.919 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 9.324 -14.131 -9.976 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 -0.287 -4.012 3.898 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 16.746 -24.483 0.015 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 7.668 -3.804 18.271 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 -2.823 -0.523 4.504 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 -0.576 -20.031 -0.998 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 -4.283 17.984 7.651 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 -0.053 -2.382 -0.836 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 0.206 -0.472 -2.565 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 -5.064 2.523 -6.666 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 2.577 -0.740 -2.435 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 -1.869 7.888 -15.658 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 1.977 -27.199 30.008 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 2.606 -0.150 1.265 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 9.259 -20.065 14.108 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 3.141 31.484 6.927 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 5.098 -2.252 -1.976 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 -1.975 -13.613 -3.830 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 -4.068 -3.617 -4.161 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 3.387 -0.351 1.997 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 8.436 -8.866 1.073 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 -25.337 9.943 6.695 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 -3.640 -7.631 -8.839 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 14.229 9.897 10.801 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 5.331 4.831 2.261 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 -8.206 -3.802 1.857 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 -16.261 -2.901 -13.060 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 -11.914 -19.518 7.686 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 3.742 -4.319 4.134 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 -6.423 -11.405 19.822 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 -4.922 -11.186 4.243 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 -1.732 1.181 2.147 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 1.631 -1.625 -0.357 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 -3.193 6.774 4.005 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 5.255 -0.978 -3.153 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 37.273 -6.882 -9.949 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 15.635 -7.751 -13.786 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 3.442 -2.423 3.683 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 -29.641 -21.314 15.832 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 32.237 10.669 3.694 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 -6.744 0.035 -5.159 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 -4.602 -8.209 -10.654 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 -2.702 -4.401 5.189 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 -2.286 0.853 4.415 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 -1.031 -25.262 -9.303 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 22.425 -27.780 17.836 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 3.092 7.254 5.119 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 3.570 -5.194 -4.110 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 -17.841 -25.785 -19.239 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 5.638 5.767 0.395 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 45.429 12.479 20.673 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 14.857 12.407 0.411 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 -2.167 4.541 0.725 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 -23.910 2.864 5.459 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 -15.173 12.539 9.889 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 4.141 4.231 -1.458 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 -0.921 -1.531 -5.242 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 4.376 -5.435 10.482 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 2.884 3.297 -5.335 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 1.179 -10.890 19.402 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 1.201 13.127 -13.232 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 -1.113 6.100 -3.014 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 -3.315 8.887 -9.525 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 15.394 3.884 2.848 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 -0.393 -0.686 0.060 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 -15.569 33.926 13.976 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 3.962 -6.782 -26.020 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 -8.167 1.369 0.111 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 8.929 7.343 2.746 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 -3.530 6.413 -29.173 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 -0.188 -2.052 1.231 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 9.394 -13.331 25.364 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 6.045 -0.561 1.764 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 2.530 -2.526 -0.107 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 2.035 12.522 14.627 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 0.766 3.586 5.594 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 1.941 -4.357 2.325 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 4.726 -0.102 -0.653 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 4.434 -21.330 0.555 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 3.441 -10.267 2.152 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 0.546 -20.524 2.670 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 0.125 -7.227 12.473 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 2.229 -3.748 8.156 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 -2.429 -3.282 -3.995 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 10.455 -28.697 1.379 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 0.020 -0.762 -0.042 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 1.797 -4.313 -3.480 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 -6.299 4.273 8.567 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 4.756 0.688 4.591 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 -28.053 11.460 -15.904 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 -15.104 -2.233 -0.172 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 1.481 8.794 2.538 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 -1.200 3.962 -1.344 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 2.410 2.095 -10.276 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 -4.102 -4.028 -2.842 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 -30.588 -20.251 17.803 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 20.349 10.813 -22.538 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 -1.366 -0.186 -3.653 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 0.916 -14.441 -3.334 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 -10.322 5.436 -0.273 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 -2.126 4.927 4.726 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 -5.738 0.337 4.437 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 -16.171 -0.773 -10.576 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 5.345 4.248 1.934 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 -2.676 1.411 30.309 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 -3.719 2.330 1.214 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 2.792 -0.188 1.893 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 0.248 -13.950 -1.507 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 -6.101 7.305 -6.358 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 -5.469 2.221 5.738 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 -14.800 11.982 9.378 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 5.739 -8.109 1.037 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 6.396 2.291 -2.774 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 2.044 -7.717 -8.000 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 15.569 -8.146 -5.698 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 5.325 1.055 2.454 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 -8.819 -17.066 -9.576 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 1.023 2.666 10.768 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 0.190 -5.409 -4.225 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 -21.002 5.851 3.434 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 -25.932 6.497 2.043 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 -1.068 4.747 -2.579 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 1.313 2.833 -8.422 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 -4.293 10.245 -4.079 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 -0.581 -2.281 0.352 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 1.258 0.635 6.245 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 9.812 -7.023 -5.300 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 -7.994 8.142 -0.414 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 9.969 2.347 10.039 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 -29.093 6.207 4.569 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 3.824 10.641 1.353 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 -7.133 -0.231 2.843 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 0.298 6.134 5.567 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 -2.024 3.253 0.252 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 -8.361 35.237 20.029 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 -4.831 29.463 -2.734 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 0.535 8.179 -1.278 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 -17.981 -4.399 7.927 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 6.422 7.793 -7.709 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 -1.206 -1.027 4.350 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 6.773 3.282 14.030 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 -5.185 9.402 -2.234 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 -1.335 -0.374 2.764 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 3.290 -6.373 -6.325 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 -16.954 1.062 -6.047 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 3.648 3.920 -4.206 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 -8.684 -0.020 -20.183 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 8.498 5.677 1.629 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 6.829 -6.210 -2.464 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 10.136 2.671 -8.461 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 6.613 -11.398 2.428 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 3.297 -4.090 -1.746 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 10.511 -0.202 -0.769 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 -15.735 -17.510 2.374 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 1.676 -3.087 4.521 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 0.928 -6.483 10.430 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 1.911 -1.532 1.415 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 3.775 -4.483 -2.298 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 1.930 22.814 5.632 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 6.561 12.086 -16.439 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 0.029 1.902 3.722 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 1.357 2.474 6.953 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 -16.729 14.823 1.323 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 -1.836 0.901 0.998 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 -4.006 1.261 -11.061 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 0.313 1.813 14.129 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 1.880 6.018 -0.265 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 4.813 -10.024 -7.708 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 13.263 -35.178 -9.282 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 -5.609 9.175 3.170 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 -1.480 7.921 22.774 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 -16.164 9.836 1.664 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 -5.478 -8.130 -8.569 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 -6.077 1.934 12.377 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 -0.974 -1.002 3.058 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 -2.064 -2.216 -3.296 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 -6.068 -3.121 -5.579 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 -4.262 2.688 -7.508 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 4.922 1.673 -1.144 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 -7.922 7.922 11.001 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 -2.646 1.983 -8.686 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 6.685 0.115 1.238 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 11.021 14.409 7.859 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 6.394 2.842 18.113 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 1.474 -1.151 1.187 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 10.727 -1.657 7.484 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 10.605 -7.278 0.936 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 5.226 4.991 0.801 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 -18.995 -16.737 -14.822 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 11.199 -2.310 12.643 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 -2.234 5.015 2.140 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 -2.421 1.252 -0.621 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 -6.125 6.566 1.466 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 -5.052 -4.056 -3.422 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 0.170 -4.773 -4.369 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 -6.949 -0.621 -3.739 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 -0.518 7.067 4.078 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 4.200 10.130 5.499 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 -1.723 12.477 -1.352 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 -1.989 3.774 -0.334 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 -0.228 17.174 -13.737 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 10.357 5.084 18.688 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 1.989 -1.284 -3.627 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 -3.356 -15.089 -10.181 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 3.455 -12.787 4.783 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 4.991 1.282 -0.490 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 12.128 -14.342 11.139 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 4.642 -0.785 -1.289 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 -2.552 0.095 0.501 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 6.087 -8.174 -13.681 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 -2.232 8.972 -1.725 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 -0.307 -2.565 2.455 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 27.994 5.689 29.721 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 24.010 6.384 48.961 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 -1.468 8.167 0.881 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 3.573 -18.746 4.749 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 -5.028 11.532 4.347 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 -5.830 2.079 0.014 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 -5.821 -15.341 -16.933 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 -24.656 14.645 -5.281 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 -4.146 4.119 -0.442 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 5.560 7.616 -14.968 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 -1.333 6.099 -9.938 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 1.296 8.120 -3.737 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 -14.528 11.344 -9.002 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 -11.797 9.235 1.002 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 -2.351 3.263 2.600 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 3.671 6.078 -0.486 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 -0.831 -4.021 2.842 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 -1.725 -2.290 7.380 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 -1.097 -5.237 9.098 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 -2.890 7.833 -0.726 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 8.979 -4.107 6.076 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 14.553 0.411 5.094 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 17.836 0.553 4.990 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 -5.338 -3.465 6.510 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 -6.223 -11.299 0.964 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 -4.321 8.014 1.857 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 -1.321 -2.684 4.284 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 11.139 -6.097 7.894 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 0.531 9.275 1.252 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 -10.104 4.136 1.340 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 6.588 8.979 18.011 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 8.254 16.898 4.345 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 -4.332 2.450 0.858 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 1.927 -1.000 2.470 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 -4.498 -10.474 -0.027 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 0.320 5.265 -3.225 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 -5.184 0.678 -7.112 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 -10.822 0.756 -1.716 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 1.967 0.622 -2.350 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 -12.441 -17.933 -34.411 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 -30.936 -7.080 16.609 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 -1.814 -11.375 -8.538 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 -22.053 17.584 -10.987 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 2.697 7.094 3.891 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 4.178 2.107 -3.587 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 2.619 8.195 18.133 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 4.982 -1.549 -11.785 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 -3.559 -0.044 1.065 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 -4.032 0.162 2.385 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 -2.751 0.794 -1.271 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 -3.906 2.388 1.839 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 -2.741 -13.124 -18.472 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 -10.421 -10.338 3.033 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 2.717 -5.966 7.499 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 7.407 -8.737 -4.791 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 -8.122 -13.865 9.318 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 -3.250 -4.388 4.416 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 17.704 16.240 -9.179 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 22.949 -20.655 -7.634 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 -1.184 -2.636 -4.459 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 19.099 -5.367 11.855 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 -7.694 15.837 2.671 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 -1.756 -1.858 5.382 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 0.049 -19.411 6.178 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 -18.617 8.685 -13.568 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 -1.923 4.106 -2.955 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 -9.307 -0.577 -5.973 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 -3.037 15.597 -4.054 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 2.467 1.744 -5.234 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 12.284 26.683 -17.578 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 10.412 -6.438 -7.523 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 2.172 -2.136 0.299 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 8.769 -8.962 -3.425 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 -2.945 -4.539 8.390 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 3.126 -8.146 -0.131 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 -0.987 -5.356 13.522 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 11.789 0.018 -2.063 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 -6.736 -3.230 1.099 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 -3.924 -11.363 -11.257 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 0.700 -6.161 17.932 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 2.092 0.520 0.302 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 -19.426 -6.009 -17.400 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 2.469 8.683 6.331 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 -2.917 2.940 2.945 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 -9.158 9.494 -2.772 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 5.388 -0.470 12.868 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 -2.350 1.471 -2.649 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 -0.136 5.237 -2.699 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 9.080 -8.062 -9.274 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 1.844 3.019 -0.134 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 -2.798 21.601 4.071 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 0.706 3.822 -8.860 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 -3.168 -3.507 2.682 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 16.317 -21.386 -1.633 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 -1.265 -1.518 4.863 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 -6.258 5.299 4.163 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 -7.554 0.789 23.285 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 -9.027 -9.658 -7.697 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 -2.101 -4.388 0.096 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 11.231 0.340 2.939 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 -8.944 -1.634 -1.467 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 -0.192 -0.037 -4.474 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 24.216 9.601 4.938 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 8.413 10.058 -18.666 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 3.769 -3.745 -5.551 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 -35.087 10.427 -5.446 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 7.882 -19.331 4.408 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 2.496 4.999 0.847 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 10.265 18.177 -3.051 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 5.478 15.769 1.422 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 -5.501 6.407 8.040 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 0.174 1.901 10.562 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 -5.523 4.540 1.040 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 -2.192 1.765 -2.539 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 -11.581 7.559 -1.614 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 -5.429 3.887 -1.969 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 -3.535 2.032 2.510 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 4.097 18.427 -11.158 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 -7.559 -7.204 10.780 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 1.109 1.999 -2.370 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 22.292 11.544 -7.101 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 7.068 4.749 -5.021 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 1.043 -0.310 -4.337 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 -41.163 2.740 -21.498 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 15.320 -1.335 1.881 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 -1.907 -2.694 0.043 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 -16.071 12.401 -6.588 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 -25.892 2.846 5.820 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 -3.641 -6.007 4.672 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 -3.460 -8.482 -4.851 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 4.783 -6.022 4.976 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 0.818 -1.325 1.111 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 10.771 7.954 12.320 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 -8.381 1.847 -23.013 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 -5.687 -1.753 -3.777 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 8.439 10.171 6.614 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 22.432 14.320 0.014 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 -4.198 -1.914 2.939 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 -4.703 -9.694 12.040 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 0.973 -5.969 -11.953 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 -1.870 0.865 -8.496 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 -6.436 -16.668 -5.384 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 17.164 7.400 -14.914 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 -3.784 -3.556 -1.199 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 21.384 -20.940 15.518 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 27.410 23.706 -7.909 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 4.828 -5.532 2.414 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 24.269 -4.714 4.571 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 13.231 4.436 -9.154 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 -8.868 8.051 -5.049 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 -10.608 0.823 17.979 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 -5.628 -1.291 -15.583 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 -3.306 2.221 1.417 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 -29.477 -12.571 1.168 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 30.007 -25.553 -10.803 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 0.952 -1.504 3.083 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 -1.483 -0.120 6.067 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 -11.229 1.564 -20.906 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 -1.443 -5.639 2.020 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 5.629 -0.276 5.424 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 0.912 0.483 5.539 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 -5.342 -4.375 -4.034 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 -6.094 -17.832 -23.286 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 25.658 8.417 -5.563 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 -3.844 4.670 -1.200 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 11.396 -3.392 -2.034 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 -22.650 24.087 -14.900 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 -1.870 6.260 -8.846 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 -4.043 7.590 0.452 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 0.509 -9.812 9.685 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 -5.486 2.167 3.848 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 1.381 -9.348 -17.698 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 20.825 -9.822 22.159 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 3.253 1.912 -0.294 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 22.941 19.971 10.820 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 2.537 4.326 1.636 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 -5.569 -3.736 -4.411 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 -4.970 -9.545 5.776 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 -13.917 -14.110 -10.263 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 6.694 -2.750 9.561 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 5.238 -2.667 11.692 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 4.994 -2.305 8.194 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 -2.026 -0.709 -3.291 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 -12.533 10.846 -5.137 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 20.230 10.834 2.540 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 1.531 -3.736 0.355 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 -3.631 0.944 14.971 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 -2.944 -8.343 -4.478 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 -3.614 -0.243 -1.533 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 -21.206 -11.960 10.340 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 -20.727 -6.037 6.754 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 -0.806 -2.396 2.406 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 4.840 -2.436 13.840 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 1.946 -5.162 14.201 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 0.062 -0.217 5.358 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 3.537 16.700 3.027 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 10.696 -6.476 19.124 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 1.444 -1.538 2.688 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 10.458 -20.113 2.204 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 -5.714 4.658 -13.500 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 -0.346 4.792 -5.847 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 -1.547 -11.852 1.464 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 6.461 8.030 3.076 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 0.976 8.744 3.101 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 1.664 10.601 -0.112 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 2.573 10.658 6.725 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 -0.554 8.560 -0.214 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 -7.649 9.887 4.452 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 -3.738 8.999 3.232 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 -3.929 2.557 -1.109 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 -19.853 0.602 -1.272 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 -3.546 11.039 -15.925 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 -0.081 -6.742 2.570 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 -11.926 -9.870 2.610 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 29.010 0.844 2.289 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 0.083 0.960 0.631 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 21.798 -9.522 3.263 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 -7.738 -0.850 3.168 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 5.017 7.632 -3.146 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 22.452 1.959 25.738 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 1.704 25.553 0.541 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 1.472 -3.209 0.420 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 -1.801 2.434 15.298 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 1.728 -11.130 -21.973 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 -1.388 -1.164 -0.119 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 3.125 4.191 -18.317 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 0.239 -17.008 -12.277 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 0.557 -4.296 -0.142 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 -5.253 3.599 6.602 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 -0.869 1.924 4.369 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 1.357 4.084 -0.107 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 1.355 11.541 -11.613 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 -5.701 -0.913 -18.165 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 -7.231 5.000 1.836 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 -5.445 -5.090 -17.085 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 -7.639 0.113 -15.769 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 0.981 -0.339 -0.699 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 -8.658 -9.181 -3.393 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 10.226 -1.824 18.793 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 1.890 7.644 4.599 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 -15.482 4.958 -2.479 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 27.551 -8.280 -6.807 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 -0.396 -1.702 -2.360 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 -6.128 -16.585 -1.714 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 -12.816 -32.595 4.153 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 1.557 0.250 4.605 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 -6.853 -7.374 7.903 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 -2.120 -15.041 25.354 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 -1.067 -0.926 6.412 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 -5.124 -5.830 10.293 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 -4.703 4.804 -10.960 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 -1.822 -0.822 1.480 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 0.308 0.727 4.633 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 8.097 14.568 12.455 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 -4.280 -1.739 4.930 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 2.365 2.036 2.306 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 -7.924 -3.768 9.867 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 0.063 -6.322 1.340 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 11.361 -1.335 8.436 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 8.367 -0.867 -2.291 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 2.059 -6.571 3.793 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 -12.157 -13.515 14.345 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 14.450 -3.494 -8.960 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 -1.369 -2.645 -3.383 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 -21.050 -6.554 9.199 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 -2.272 3.113 2.086 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 2.923 -1.256 3.685 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 -7.181 3.240 -12.552 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 13.098 -14.994 1.004 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 -0.251 7.371 6.267 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 -16.269 -38.861 -17.269 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 -3.841 -8.344 -14.231 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 -7.907 3.729 6.634 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 9.110 20.301 27.016 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 -16.152 14.856 2.920 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 6.116 3.214 2.571 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 8.279 -2.746 -5.585 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 -14.031 -2.874 -12.370 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 0.503 1.433 1.345 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 -3.629 1.754 3.957 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 11.117 0.359 -4.370 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 -1.477 5.948 -6.671 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 -5.578 -18.381 -15.323 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 0.880 19.071 -2.357 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 -5.655 -2.668 -0.916 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 15.100 -2.675 3.991 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 3.893 -3.928 1.884 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 -2.886 3.841 0.862 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 -0.102 -4.810 0.313 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 -1.091 -2.742 -0.494 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 -4.185 -3.922 -5.368 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 3.740 15.891 5.749 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 -10.891 -3.653 6.928 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 7.108 -2.459 -6.080 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 -5.279 11.353 -11.838 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 4.430 6.391 -1.648 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 0.831 3.086 -0.988 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 -0.424 -0.776 10.406 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 6.682 14.018 -28.273 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 1.672 -0.415 0.265 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 4.272 -0.881 11.685 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 -21.152 -10.933 21.498 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 -8.351 7.798 -2.768 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 -25.121 0.057 5.654 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 -1.161 -12.940 13.402 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 -2.617 -4.870 -5.790 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 -1.389 -6.683 9.237 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 -1.503 -6.541 8.239 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 2.283 1.627 1.224 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 -3.820 -14.872 -8.139 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 -10.630 3.126 31.839 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 -0.035 1.753 4.755 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 -6.929 2.856 -4.253 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 10.228 1.387 -1.910 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 -5.976 -2.468 -3.176 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 19.700 18.496 9.073 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 -0.821 1.864 -2.247 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 -3.661 -3.533 1.584 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 -8.008 7.012 -11.424 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 -2.924 -5.405 23.684 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 -1.056 -2.349 2.377 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 -11.519 2.540 12.608 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 0.251 -4.265 -2.733 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 3.040 -0.416 -2.065 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 -6.106 4.867 -7.401 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 6.962 -1.367 -18.086 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 -4.427 2.354 1.014 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 14.754 -3.535 -7.428 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 22.332 -12.584 19.104 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 3.306 1.790 2.265 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 20.837 14.877 -12.482 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 3.171 -5.340 19.322 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 -0.269 -1.142 4.333 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 3.140 9.107 1.276 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 5.732 6.360 3.580 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 -2.821 -1.364 5.719 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 11.994 -21.843 -2.141 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 9.008 -6.448 -5.994 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 -3.033 7.698 3.969 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 -1.647 17.339 -7.834 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 1.280 10.784 7.448 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 -3.724 -5.495 -1.049 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 8.145 -9.398 11.137 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 9.944 -3.693 0.464 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 5.639 0.180 11.297 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 0.874 -5.545 1.243 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 3.308 -7.088 9.570 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 7.571 -4.968 2.467 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 -7.349 0.838 -17.688 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 30.940 5.159 -3.767 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 -0.896 6.357 4.461 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 -11.570 7.220 -16.526 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 14.069 24.855 4.499 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 3.133 3.860 0.439 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 4.871 3.144 6.867 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 3.369 -0.834 -2.795 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 2.405 1.243 -2.914 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 -19.643 -12.116 7.742 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 -4.045 1.541 -16.949 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 0.662 2.196 1.843 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 0.241 -5.224 -14.953 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 16.491 -0.262 5.912 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 -6.930 -4.641 0.414 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 -19.370 -2.406 10.174 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 14.869 -17.222 -1.654 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 1.390 -3.047 3.392 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 3.455 -8.623 -4.006 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 -6.222 -2.868 13.908 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 0.585 2.046 -1.063 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 8.754 21.750 -4.961 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 5.437 -28.311 1.250 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 -3.280 1.599 -2.378 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 6.186 -13.858 -12.238 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 -5.898 19.574 3.789 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 2.038 2.420 -7.642 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 -13.380 2.663 2.595 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 9.960 16.852 -2.102 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 -1.064 2.562 -1.271 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 3.882 0.319 -9.648 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 9.493 9.051 0.859 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 2.516 -0.375 -10.848 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 10.792 13.777 -16.422 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 -7.893 12.054 0.866 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 4.349 -0.771 -0.818 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 -14.539 2.261 -1.704 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 -1.347 -7.499 -3.066 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 -4.846 -1.756 -2.660 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 23.947 15.284 14.923 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 9.608 0.569 10.174 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 -3.366 0.681 6.433 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 -4.130 -5.952 -8.264 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 -28.741 5.911 -1.460 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 0.231 5.855 0.015 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 -1.703 0.167 -3.813 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 -19.336 -6.520 -0.580 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 2.125 -1.418 2.898 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 2.459 -17.087 -1.838 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 -16.945 4.323 12.587 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 -6.586 0.968 -6.037 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 1.691 -4.588 -3.922 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 -17.922 -0.374 -4.148 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 0.265 4.236 -4.887 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 0.859 6.832 -8.911 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 4.190 5.257 -2.448 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 4.988 0.728 0.407 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 -10.765 15.398 14.175 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 9.769 26.656 15.331 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 7.221 -4.461 -0.828 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 6.698 10.602 7.944 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 -6.154 -9.148 8.264 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 1.719 4.976 -1.560 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 -2.885 -4.942 1.249 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 -2.552 7.305 -8.228 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 -1.513 -3.006 3.995 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 -8.186 2.708 13.751 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 5.714 -3.153 9.274 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 -3.945 2.610 -1.121 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 15.664 -11.662 -10.856 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 10.511 -19.772 9.027 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 -2.942 0.514 2.494 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 -7.409 -4.488 -13.149 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 -5.295 -0.883 1.425 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 -4.142 -0.619 -1.802 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 3.575 -0.116 4.699 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 0.612 -12.746 8.004 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 0.651 4.656 5.244 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 24.590 -4.250 22.208 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 6.566 -32.583 4.207 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 0.676 -0.111 -1.188 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 -6.635 16.356 -25.985 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 -6.065 9.079 -13.566 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 0.634 -2.434 -2.329 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 7.294 -10.105 -0.026 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 13.390 -10.364 4.876 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 2.122 -3.088 1.945 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 -5.474 -15.800 -1.742 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 17.519 -8.638 1.024 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 1.246 0.865 -5.310 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 19.333 -4.948 -4.549 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 -5.597 15.874 -7.157 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 3.230 -2.504 0.549 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 4.805 9.947 15.791 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 -8.582 -0.193 -1.798 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 -0.897 -0.092 -3.194 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 11.865 -11.912 -12.568 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 3.905 -0.859 9.966 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 1.113 -4.249 0.143 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 18.387 -6.514 2.759 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 14.213 8.195 -10.769 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 1.350 7.036 6.657 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 -7.219 7.485 1.283 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 17.936 2.634 18.490 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 5.104 1.769 -3.850 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 -2.890 7.481 3.392 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 -1.359 -7.497 -8.956 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 -3.414 6.108 1.505 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 2.801 15.905 10.686 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 -7.831 -20.639 -19.337 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 0.021 -7.832 0.978 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 17.176 1.453 1.893 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 7.229 -9.400 -4.901 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 -1.414 1.396 2.246 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 -1.496 12.653 20.309 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 -14.386 7.873 -3.521 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 3.122 -7.933 -2.151 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 4.649 -8.463 -0.961 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 1.604 -9.733 0.585 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 5.544 0.917 0.515 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 9.235 5.533 -1.632 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 -0.241 10.731 -1.986 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 -6.598 4.344 -2.563 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 -7.280 -3.554 -11.134 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 -7.651 -5.756 -14.379 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 2.540 1.258 -6.128 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 22.777 -1.503 -16.286 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 -7.245 6.358 7.616 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 5.460 0.093 2.083 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 -9.737 9.023 1.642 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 -24.295 -20.784 0.725 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 -3.532 3.731 4.766 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 -19.877 -8.799 7.775 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 3.204 -14.167 2.929 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 2.945 -7.030 -3.200 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 0.315 -7.979 -1.828 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 -0.240 -3.417 22.853 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 -0.174 -0.703 1.581 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 -11.472 1.250 10.748 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 -20.436 11.014 -8.324 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 -2.226 3.026 8.156 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 7.836 4.947 12.161 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 -16.062 9.549 -5.446 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 -4.379 1.566 -0.459 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 -0.729 13.353 6.517 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 -3.006 0.455 -7.876 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 -1.306 -0.669 -2.754 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 9.518 3.946 -21.989 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 -4.677 15.253 6.768 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 2.711 3.844 -1.748 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 -14.195 0.211 -25.161 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 -21.479 6.235 -16.059 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 3.570 1.318 -2.854 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 -0.662 -13.300 2.742 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 9.003 5.000 -2.101 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 0.074 3.199 -0.420 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 14.034 -22.297 18.669 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 11.676 7.522 -2.408 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 2.269 -4.307 -1.238 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 17.707 -3.769 9.575 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 -0.269 -9.755 4.722 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 2.755 4.795 2.601 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 -9.549 36.769 15.250 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 -4.023 -27.966 -15.141 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 -2.886 0.004 1.229 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 -9.288 1.192 -0.173 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 -6.841 0.775 -0.660 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 2.439 -3.133 -3.540 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 -17.594 9.388 15.672 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 -7.816 11.500 2.201 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 -5.709 -0.562 -1.194 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 -32.624 4.320 -7.111 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 -5.454 7.446 26.523 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 -0.602 -0.790 -1.139 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 -22.882 24.597 -1.240 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 -15.809 -6.182 -1.144 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 7.464 3.552 1.733 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 7.833 3.298 2.461 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 9.457 -13.412 -9.878 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 7.680 -4.293 1.417 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 7.617 6.865 -3.120 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 -14.691 12.146 15.598 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 -4.566 -2.763 1.053 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 4.650 -9.823 16.495 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 9.798 -12.246 4.691 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 -5.776 -0.197 5.563 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 -4.554 11.390 -26.494 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 14.768 -37.870 -26.488 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 -4.282 -2.539 7.013 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 -3.826 -2.262 8.194 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 -2.188 -0.735 7.558 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 9.097 -2.092 4.116 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 5.169 4.167 14.010 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 -7.324 -4.651 -5.362 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 -0.535 0.461 0.632 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 -1.868 5.272 -4.014 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 -2.737 -3.324 -2.256 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 0.880 4.617 -2.967 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 -15.462 -5.282 -20.331 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 10.866 8.441 7.934 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 -4.053 6.157 2.280 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 2.119 7.939 4.768 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 2.317 -2.983 0.545 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 -0.644 -6.605 2.604 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 -5.886 0.414 -2.537 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 -1.333 -0.035 -2.505 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 1.274 0.547 -2.066 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 -2.153 2.027 1.188 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 -1.986 -3.359 1.258 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 -2.736 3.662 -1.472 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 -8.498 19.358 5.027 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 -0.489 -3.447 -21.438 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 -0.619 0.414 -2.821 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 -11.526 -5.221 1.182 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 8.126 11.138 14.411 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 -0.499 -2.340 -4.527 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 6.390 24.228 4.791 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 -8.291 -35.365 -11.260 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 3.988 -0.413 -2.859 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 4.429 0.455 -24.462 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 9.860 2.756 -2.353 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 -5.717 -3.521 0.601 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 -7.530 -3.883 17.969 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 -4.617 -13.199 3.875 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 -0.411 -0.140 4.875 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 1.508 10.596 -20.425 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 -1.474 2.580 1.418 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 1.184 -3.215 6.514 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 0.993 -11.877 4.382 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 23.667 -15.244 -9.769 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 -3.715 2.374 -2.487 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 11.231 -5.311 2.920 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 3.086 1.626 0.181 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 -1.500 -1.672 2.696 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 11.274 -8.552 -6.338 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 -9.700 5.835 2.342 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 -0.453 7.374 -4.858 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 2.049 4.964 14.538 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 -2.029 13.319 -8.249 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 1.644 -0.456 6.207 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 14.210 5.427 1.192 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 8.096 1.788 3.870 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 -1.677 1.080 3.408 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 3.288 -9.087 16.198 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 9.801 20.037 5.839 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 7.671 -2.409 -1.025 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 2.296 -9.317 3.890 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 -0.207 6.994 4.621 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 -3.144 0.297 1.274 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 -24.340 -6.166 8.952 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 1.287 40.314 -10.758 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 2.300 -5.545 -0.679 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 8.059 5.558 -6.670 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 -17.826 -4.994 20.559 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 5.343 0.026 5.175 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 -8.464 9.564 3.661 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 14.703 8.126 15.825 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 -2.529 1.258 -1.770 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 36.632 -6.999 -34.531 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 -11.999 -5.134 -3.839 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 -2.462 -1.470 -0.713 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 0.144 9.799 3.358 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 5.049 -2.539 -11.790 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 2.625 3.379 -4.508 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 6.784 -4.475 11.640 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 -16.865 1.440 -6.267 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 -0.263 0.657 4.575 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 1.381 0.290 2.612 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 -0.146 1.292 5.040 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 -4.623 -2.761 1.082 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 -11.187 -12.365 -4.363 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 -6.943 8.230 -10.055 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 -2.893 2.150 2.223 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 -0.369 3.545 0.161 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 -28.471 -11.204 12.996 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 -1.634 5.453 6.373 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 -24.374 -4.202 20.681 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 -5.683 7.834 4.295 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 -2.152 -5.571 0.079 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 5.865 12.517 1.104 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 -1.207 -4.004 -0.174 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 -3.123 2.625 1.629 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 -7.439 15.498 13.874 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 17.656 6.663 -19.701 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 2.124 -1.911 0.012 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 9.335 1.866 1.077 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 -2.268 3.278 1.563 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 7.453 1.314 0.053 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 11.942 -9.576 3.933 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 6.600 15.704 1.377 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 3.064 0.234 1.165 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 -1.608 -9.783 5.244 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 8.966 10.279 4.336 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 -3.740 -1.083 0.686 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 24.433 -10.575 -20.756 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 6.195 16.387 7.321 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 5.048 1.454 2.925 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 5.467 0.744 3.275 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 2.604 4.243 6.388 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 -4.313 -0.623 3.538 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 -3.408 3.278 1.103 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 4.432 -11.754 -2.840 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 -0.854 2.286 6.417 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 3.070 11.399 29.463 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 -0.970 -1.315 4.767 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 -2.805 -1.767 -3.184 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 -5.907 20.055 -12.917 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 -9.409 0.512 -7.933 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 3.521 -8.671 -2.932 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 0.392 10.109 -13.696 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 -20.812 -18.626 2.479 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 -5.822 -0.078 2.315 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 0.197 6.854 7.396 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 -8.323 11.770 7.696 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 2.275 8.314 -0.745 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 -2.692 -10.554 -0.189 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 2.499 4.149 -1.070 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 -0.260 8.324 -2.150 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 -0.953 8.428 -11.434 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 -5.055 9.819 -10.180 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 3.316 0.468 -1.232 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 -1.842 -5.186 6.437 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 -15.213 -17.164 8.755 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 6.307 4.708 1.261 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 9.988 14.510 -4.666 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 8.159 9.910 1.216 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 2.377 -0.351 -5.072 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 12.490 2.195 -18.758 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 -8.756 -2.580 3.791 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 0.680 1.686 3.809 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 8.170 9.354 18.223 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 12.395 4.955 -13.586 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 -7.011 -3.346 3.796 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 -19.224 -0.884 -13.870 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 -10.163 -5.213 8.697 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 -3.024 2.464 -1.732 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 -0.553 -0.659 13.151 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 5.113 -14.208 -26.731 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 6.693 -4.978 -2.278 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 15.892 -10.505 3.483 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 11.727 -11.762 -20.393 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 -1.630 3.565 -7.603 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 -14.567 7.007 -6.144 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 1.222 16.638 -4.448 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 -0.695 -3.775 3.783 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 -2.211 2.622 3.298 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 -0.455 -9.075 7.058 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 5.684 -11.231 5.553 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 9.307 -17.476 15.258 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 -12.998 3.877 5.258 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 -6.212 -7.129 5.897 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 -3.752 -13.634 13.819 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 3.685 -12.064 -4.974 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 -1.659 -0.184 0.555 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 -1.239 24.486 -10.688 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 20.701 -2.004 13.553 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 3.332 0.000 -2.747 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 -7.432 -3.618 3.057 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 7.178 17.722 -8.806 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 -2.385 -1.848 -2.746 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 6.862 -2.321 1.876 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 1.934 -8.469 -10.984 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 -3.539 4.233 -7.030 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 15.943 -6.184 -14.116 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 10.493 21.763 -10.061 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 -8.567 -2.346 4.135 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 -8.643 -7.885 -1.477 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 -2.664 -10.309 -4.829 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 -2.650 0.941 2.246 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 13.684 15.174 23.968 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 -17.727 -0.097 -1.732 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 3.371 0.287 -1.952 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 -5.984 -3.985 13.572 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 15.020 14.749 -13.198 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 5.380 4.576 5.646 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 -6.855 -18.915 -17.411 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 -11.649 12.332 20.077 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 -6.651 -1.714 -2.128 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 -2.054 -2.922 -8.173 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 13.130 6.809 -1.219 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 4.869 -0.754 2.639 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 8.239 -2.001 -2.104 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 3.128 -0.911 4.600 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 1.848 2.158 -0.405 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 -15.913 47.256 -2.299 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 16.062 -22.287 -1.059 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 7.025 -5.152 -7.201 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 -5.858 10.977 -7.679 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 -10.934 -19.759 0.436 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 -1.668 -0.876 -3.181 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 7.077 0.128 0.490 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 16.306 1.010 0.765 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 -6.548 0.446 -5.486 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 -11.665 -1.976 -6.513 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 6.594 5.063 -0.251 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 1.883 -0.300 1.435 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 5.351 9.435 19.092 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 1.178 -10.388 -11.398 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 4.106 -2.102 4.638 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 1.506 0.850 18.021 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 -30.883 -7.944 1.519 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 3.134 -0.046 1.599 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 -5.192 -1.714 -10.813 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 4.750 -0.527 3.923 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 1.844 -2.248 -0.445 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 3.010 -1.389 17.467 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 18.143 -4.789 1.083 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 1.168 -5.869 0.181 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 -1.349 -5.292 1.654 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 -4.030 -6.871 3.263 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 -2.940 0.827 3.659 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 -11.329 -13.968 -18.996 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 23.784 12.948 -3.151 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 -1.923 0.715 -1.080 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 -1.789 0.506 -4.734 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 2.771 16.262 -9.268 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 2.826 2.551 -0.808 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 6.402 -14.373 8.928 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 -16.473 4.034 8.348 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 -0.510 1.568 -4.035 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 -0.015 9.946 -21.566 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 -12.646 9.688 9.048 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 1.223 3.405 -0.289 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 -2.788 6.226 0.299 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 5.724 2.314 -2.578 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 1.895 -2.210 -2.579 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 -7.837 3.953 -6.923 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 9.770 12.617 11.378 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 -5.228 0.941 3.783 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 4.023 -14.798 -7.538 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 -1.827 22.398 -4.674 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 -4.066 -4.254 5.839 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 5.013 11.276 14.174 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 9.045 -5.103 -0.368 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 -0.853 -1.171 -3.682 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 11.689 -2.868 -1.895 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 -7.528 1.680 -4.384 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 0.549 -4.098 3.775 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 -0.448 -28.335 -40.781 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 12.211 16.049 9.168 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 -4.496 3.929 2.262 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 -1.066 5.007 -1.038 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 5.487 -3.846 -5.113 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 -3.435 -5.218 0.434 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 16.232 -0.909 5.958 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 1.470 -6.230 14.043 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 -4.240 4.561 -1.197 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 4.164 6.706 -7.875 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 3.315 9.666 -6.178 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 -3.936 0.341 4.685 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 -5.321 -6.992 11.838 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 -7.340 -7.485 11.501 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 4.393 8.205 -4.631 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 -11.195 -16.119 15.387 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 -9.351 -11.557 12.767 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 2.781 0.126 5.980 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 -1.276 -5.069 11.385 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 0.891 -2.228 7.101 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 1.364 4.732 -2.905 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 25.703 -15.055 0.207 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 -30.299 17.882 1.225 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 -2.478 -1.504 4.719 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 -3.139 -10.456 1.819 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 1.376 -8.290 7.121 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 -1.065 3.638 5.881 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 34.080 -13.041 13.427 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 4.787 3.984 5.764 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 0.342 -1.735 0.121 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 1.119 -18.874 -4.609 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 34.689 17.600 17.271 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 1.763 -4.290 -3.074 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 3.189 13.834 -2.644 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 -11.869 -8.785 6.900 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 10.127 1.357 5.440 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 7.937 -10.612 6.771 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 -0.918 5.917 7.695 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 2.904 4.087 1.161 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 3.196 8.213 3.569 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 3.539 4.660 0.328 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 1.499 1.792 -0.008 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 3.449 -15.696 -13.819 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 11.152 -6.729 7.415 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 -4.570 -1.866 0.688 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 7.074 -12.420 -10.094 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 11.964 10.510 9.233 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 1.855 -0.028 -0.444 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 6.212 16.386 -22.830 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 5.381 -17.412 -5.536 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 0.012 -1.921 -7.230 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 -3.530 -3.416 11.400 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 -10.646 5.984 -19.403 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 2.771 -1.935 3.045 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 16.337 10.056 -7.362 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 16.840 20.227 -36.450 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 7.254 -5.044 -2.683 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 -0.024 -22.613 -2.933 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 -4.737 7.062 3.316 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 0.766 -0.336 -5.040 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 12.505 0.385 -12.839 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 45.569 -3.258 -17.041 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 3.754 0.129 1.694 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 7.776 -3.732 3.602 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 -10.881 -11.429 7.715 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 4.251 -1.479 -7.404 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 9.617 6.428 -0.523 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 -9.927 -10.576 -22.926 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 3.236 0.382 3.858 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 -3.263 9.643 4.245 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 12.790 -14.418 3.169 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 -1.529 5.947 -3.061 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 9.280 4.237 -9.559 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 25.033 -11.153 14.109 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 -0.309 -1.177 -0.688 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 14.809 7.688 -0.574 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 -9.674 6.800 -14.847 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 -3.191 -2.653 4.680 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 2.848 7.406 -7.547 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 -24.415 -4.803 9.031 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 4.447 -7.973 -1.749 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 -2.181 -6.943 8.069 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 -0.671 -17.350 8.591 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 -2.902 -0.063 3.385 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 -31.371 -30.863 12.982 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 -7.476 -3.621 19.972 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 -3.727 -3.717 3.060 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 -5.046 -0.938 5.488 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 -0.881 -0.969 1.604 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 -0.622 2.059 3.488 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 7.675 7.414 -9.558 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 -11.092 -0.645 -3.135 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 -3.754 3.113 1.032 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 11.460 27.839 -6.280 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 12.748 -14.467 -22.303 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 -2.382 -5.428 0.466 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 -7.941 -8.256 9.667 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 -13.430 5.568 10.274 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 5.072 -0.857 -1.078 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 -6.258 10.991 -22.037 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 4.891 14.057 14.252 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 -5.303 -5.768 -0.924 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 9.034 -12.940 -8.744 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 -14.172 3.446 3.055 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 0.308 7.373 3.841 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 -0.030 14.848 17.737 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 15.185 -1.812 -4.612 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 0.769 -2.670 0.164 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 2.159 5.880 2.560 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 1.506 10.866 -0.835 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 -2.403 -0.453 -6.655 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 -2.146 1.073 -5.187 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 11.346 -12.870 -12.278 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 -4.954 7.713 -3.525 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 -0.792 33.340 -7.287 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 0.491 12.682 -1.927 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 3.964 -1.490 -1.559 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 -2.434 -9.254 -4.159 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 -8.552 -15.223 -3.757 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 -4.174 0.438 -1.773 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 -5.236 3.750 0.746 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 -11.769 -6.792 8.844 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 1.858 -0.235 1.137 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 26.541 -4.894 -6.944 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 -9.523 2.608 3.862 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 1.375 -0.577 4.805 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 -13.459 2.637 12.757 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 8.796 6.149 -11.581 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 -0.521 -2.128 -0.476 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 3.402 -6.086 -1.354 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 -8.374 10.726 1.170 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 3.116 9.831 5.777 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 -2.788 17.617 3.998 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 11.464 11.739 4.480 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 1.266 -0.207 -4.501 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 2.403 -1.312 -4.861 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 1.043 0.221 -3.605 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 -0.907 -0.750 1.966 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 -14.212 0.939 1.597 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 -0.787 -6.718 2.528 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 0.627 5.160 0.349 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 4.428 8.351 4.464 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 7.798 17.849 5.489 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 0.210 1.292 -1.907 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 8.204 2.031 -2.795 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 -0.168 3.675 5.861 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 0.014 -7.692 0.908 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 6.173 -19.361 -8.889 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 -8.180 5.525 1.486 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 4.705 0.841 -1.040 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 10.685 -18.506 -5.237 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 8.213 6.130 -13.404 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 5.711 0.760 -1.602 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 -0.555 -13.654 -1.592 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 -2.454 11.700 -1.105 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 2.334 -4.995 1.106 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 8.525 -15.842 -12.011 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 13.328 4.098 -16.767 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 0.382 0.604 -0.745 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 15.419 11.508 9.092 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 -3.436 -13.729 -35.225 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 0.903 -3.239 -2.707 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 23.391 6.667 7.608 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 5.342 -0.841 -2.249 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 -2.751 -2.255 5.170 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 -3.517 3.454 24.533 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 -2.924 -8.440 -7.462 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 1.522 -1.027 -4.872 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 -2.993 3.580 2.399 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 7.163 8.101 -9.982 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 2.736 0.197 1.557 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 -10.439 9.779 26.043 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 24.793 -22.045 1.229 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 -1.928 9.429 -0.498 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 9.445 9.067 -10.502 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 -11.928 -4.062 -2.466 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 -3.569 2.207 -2.960 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 -11.410 14.462 14.402 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 9.304 -12.928 6.709 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 4.259 -5.487 6.493 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 -18.815 -10.469 -1.153 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 -2.688 1.438 -4.796 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 0.297 0.246 -0.972 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 -24.496 9.647 16.272 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 5.025 -4.233 10.589 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 -1.925 -1.624 4.587 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 -28.361 -13.913 11.474 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 0.740 0.154 4.846 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 5.399 -5.155 0.983 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 17.573 5.112 -3.544 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 -6.257 -14.728 5.500 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 -3.354 -0.666 4.083 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 13.910 -9.952 8.244 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 11.496 -7.398 6.154 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 2.544 1.291 0.786 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 1.701 3.017 -7.809 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 10.953 -3.071 38.524 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 -0.508 2.166 -6.599 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 21.668 10.981 -10.066 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 -10.549 -18.757 -20.244 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 -2.722 -2.735 -7.199 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 -1.883 -0.082 2.433 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 1.018 5.347 -12.437 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 1.542 -3.618 3.190 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 -0.368 3.151 7.495 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 -9.406 6.979 -12.474 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 -1.811 0.278 2.390 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 -6.918 -11.357 9.495 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 -27.727 13.442 8.729 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 1.087 7.370 3.663 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 -0.842 7.379 4.334 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 2.611 -6.103 13.188 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 1.762 -5.770 2.354 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 -0.907 4.864 -8.604 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 -11.316 -12.686 16.796 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 -0.865 0.970 -4.060 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 -2.199 -0.392 6.885 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 5.468 -1.163 5.667 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 3.864 -5.970 -2.306 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 0.967 2.428 12.161 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 15.634 -9.434 -8.842 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 0.533 1.979 -4.179 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 0.573 -2.579 0.400 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 18.532 -9.023 20.835 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 -2.656 -0.730 -3.975 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 1.750 4.689 8.925 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 -1.621 -16.109 -7.631 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 -0.384 -0.159 -1.010 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 22.362 -4.594 -5.425 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 -33.150 -14.309 1.356 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 3.455 3.028 -6.400 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 -3.923 6.414 -14.069 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 -0.942 -2.215 6.802 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 3.225 1.426 5.027 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 -1.262 21.378 11.096 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 -7.108 -8.522 8.187 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 4.000 6.658 -8.840 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 -24.168 20.782 -23.608 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 8.530 4.622 -6.442 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 -7.349 -0.553 -5.405 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 -9.411 9.875 -4.910 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 -17.192 -15.086 3.982 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 -0.686 0.861 -0.781 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 -3.751 -3.914 -2.370 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 -10.484 -7.902 -1.570 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 3.791 -3.030 2.290 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 -6.165 -8.881 6.116 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 -20.825 -15.514 12.047 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 3.763 -5.538 2.177 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 30.421 -9.443 -1.314 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 -3.787 -27.225 11.057 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 7.212 2.615 -1.109 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 -21.745 9.012 2.471 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 13.075 0.070 -2.726 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 -0.837 2.600 -5.219 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 -14.759 9.190 -5.364 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 3.255 -2.240 8.076 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 2.505 -0.629 -0.148 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 -22.971 -7.559 -20.432 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 7.883 -12.144 34.335 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 -2.802 4.814 2.339 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 -7.710 -3.488 10.589 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 -7.515 -0.643 3.597 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 4.680 -2.038 4.912 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 -12.999 -19.593 -1.347 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 -20.135 -4.997 -12.683 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 2.202 3.788 -4.143 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 3.046 -7.378 1.731 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 13.879 22.812 -3.655 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 -1.451 -0.144 1.447 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 -2.962 -3.073 9.919 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 -10.391 -0.517 -3.499 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 -2.386 -0.160 -3.777 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 -10.767 11.176 -14.988 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 8.558 14.716 -0.917 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 6.771 6.359 -4.057 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 22.375 3.042 9.593 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 -14.922 4.080 7.805 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 -0.398 1.830 -7.023 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 5.320 1.231 5.905 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 -12.369 3.030 -28.923 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 5.627 -9.114 -6.838 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 3.457 -11.534 -15.843 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 19.245 -20.746 -7.454 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 -2.890 -0.021 -1.250 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 -9.995 -2.613 -28.122 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 -3.037 -8.457 -5.323 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 -6.538 -4.985 4.231 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 -13.655 -3.807 0.035 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 -6.571 8.964 2.222 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 -1.634 4.152 -1.867 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 -5.591 -11.703 5.058 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 -7.485 9.619 -2.421 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 -0.461 0.204 2.198 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 7.530 -3.300 2.509 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 -5.167 -2.774 -5.730 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 -6.087 -2.892 -1.475 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 -7.533 -1.253 -0.747 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 -19.471 -6.097 0.179 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 3.326 0.053 -7.529 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 0.310 -11.671 -0.667 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 9.566 8.512 0.736 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 -0.785 6.726 -3.904 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 2.743 14.482 -5.830 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 -0.756 9.503 -17.208 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 2.141 0.867 3.510 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 -4.008 7.549 4.198 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 -0.304 -0.074 -10.880 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 -0.097 -0.493 -2.433 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 -7.624 -0.297 5.647 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 -0.562 -10.866 -4.921 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 -1.305 2.695 -1.910 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 -0.633 7.629 -2.572 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 1.555 -4.636 -13.038 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 -3.459 -1.305 5.980 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 -2.654 -0.332 7.933 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 0.230 7.581 27.386 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 1.738 -4.704 -4.840 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 8.824 10.674 -2.093 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 -22.820 -1.029 -3.097 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 -7.311 3.245 1.266 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 3.227 22.193 -6.559 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 -0.988 12.919 4.947 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 -1.894 -3.327 0.926 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 20.221 -15.622 17.045 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 11.646 18.185 -13.948 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 -3.456 4.624 -6.866 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 1.237 -5.431 -18.149 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 -12.918 12.147 -8.021 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 -1.237 0.305 -0.196 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 14.700 20.793 1.215 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 -11.994 4.048 -23.566 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 -2.632 -8.772 -1.568 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 -25.931 4.033 7.549 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 -6.973 -3.596 8.799 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 -1.322 -0.988 -5.116 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 8.491 0.621 0.923 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 5.506 -14.641 -8.474 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 2.337 -5.977 1.216 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 6.897 0.466 -0.216 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 8.235 0.717 0.897 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 -2.409 -3.996 -1.012 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 -6.037 -13.878 -5.042 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 -1.220 -2.984 -0.596 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 -5.640 3.000 -1.316 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 -6.886 17.025 -9.953 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 -10.302 -2.722 3.506 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 -2.351 -0.761 0.368 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 7.445 6.644 0.864 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 14.713 13.320 -1.510 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 2.555 -3.029 1.097 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 -12.885 -4.405 13.901 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 9.740 -1.333 -4.243 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 -4.154 2.047 4.929 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 2.037 -7.350 12.593 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 -4.899 -2.691 -8.683 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 -3.533 1.341 -0.545 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 7.562 6.395 11.083 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 -31.347 -22.000 -10.598 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 13.385 2.066 2.551 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 18.481 -9.310 -7.067 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 23.097 8.786 -1.776 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 -4.438 -1.353 2.744 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 -10.315 23.582 5.161 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 1.034 -8.460 6.818 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 4.292 0.852 -1.784 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 19.237 -4.794 -1.614 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 -14.163 -5.076 3.316 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 6.577 5.276 -2.333 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 -18.590 6.776 -5.284 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 10.796 -10.853 -13.555 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 -1.554 -0.086 7.658 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 0.851 1.304 9.272 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 -3.787 0.853 6.075 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 3.303 2.409 -0.718 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 -3.037 -1.530 1.949 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 7.946 17.620 19.288 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 -1.591 5.086 -0.293 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 -6.404 16.895 4.388 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 -30.309 -10.114 13.200 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 -0.134 -7.221 -2.570 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 -2.424 2.091 -9.377 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 3.045 -15.692 -8.190 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 -3.278 2.648 -4.235 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 -1.663 -5.416 11.766 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 19.302 4.762 1.319 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 0.572 3.622 5.214 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 13.972 -6.803 -9.356 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 6.432 3.450 0.191 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 -2.758 -11.194 4.100 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 -5.771 12.968 -0.595 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 -0.911 -15.088 3.298 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 -1.185 -2.623 3.008 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 -5.578 -15.401 -0.556 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 0.704 0.867 16.620 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 0.575 -3.101 -3.537 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 -4.750 -9.600 17.235 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 -3.059 -2.895 13.202 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 5.623 -1.038 -6.067 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 18.614 12.151 13.462 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 23.433 -10.284 -25.070 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 6.248 -2.300 -6.769 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 8.791 -3.205 -6.081 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 5.659 -1.473 -10.218 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 3.419 0.086 -8.014 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 11.286 5.917 -1.780 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 -6.731 5.226 -6.417 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 3.948 -2.884 -0.772 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 4.516 -6.833 -0.719 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 5.192 12.186 1.753 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 -4.581 0.104 0.469 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 10.137 5.701 -11.486 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 5.796 13.334 0.049 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 5.705 1.689 2.434 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 19.778 -6.526 -25.835 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 5.658 -3.341 -6.214 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 0.259 -0.325 -1.475 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 -12.389 -7.408 -0.285 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 6.514 -4.802 9.857 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 -3.470 4.007 -5.571 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 -8.652 14.510 -10.704 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 -0.461 9.232 -6.460 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 4.954 2.107 2.470 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 -28.311 20.244 -8.452 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 -2.006 -16.642 -0.919 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 -7.083 -2.020 5.380 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 27.796 -6.216 -9.020 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 4.193 22.055 3.969 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 4.072 1.887 -5.694 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 -7.409 -23.820 -11.583 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 -11.378 -24.574 -12.856 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 -0.739 -1.806 -1.234 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 1.417 25.110 7.995 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 7.938 -16.798 -6.057 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 2.174 -3.997 0.821 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 -2.359 -15.452 -15.443 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 6.157 -3.809 21.702 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 1.334 -2.707 -0.282 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 1.048 0.677 3.389 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 -3.439 -21.403 -7.524 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 6.885 -5.459 3.525 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 -4.606 -2.739 -18.247 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 -3.692 0.803 -20.491 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 1.623 -4.912 -2.220 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 -0.561 -6.541 -7.092 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 -2.313 -3.013 -0.300 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 -5.380 -0.051 2.543 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 17.813 -5.360 7.151 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 18.464 -14.396 -9.453 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 0.381 -1.983 -4.687 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 -3.963 -5.448 -5.687 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 10.259 -10.219 21.137 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 -6.513 4.424 -2.826 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 14.988 5.575 -3.872 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 -7.990 -1.866 12.120 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 -11.571 -4.800 0.538 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 -9.484 -20.454 -13.453 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 6.457 0.665 -0.975 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 -4.065 4.046 -1.775 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 -9.310 8.658 1.778 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 4.830 8.334 6.716 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 -1.419 5.776 1.766 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 -9.326 20.366 6.248 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 -1.829 -4.333 15.254 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 5.860 -4.676 -1.658 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 10.113 -5.108 -14.443 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 -10.362 5.286 18.836 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 1.633 5.026 -4.241 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 -7.895 13.105 3.630 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 26.350 10.431 1.739 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 -5.089 1.149 -1.160 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 -17.281 14.616 6.051 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 2.780 2.436 -21.827 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 -4.668 0.967 2.206 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 4.563 2.891 -0.309 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 22.834 -10.999 -22.456 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 1.739 0.094 -6.389 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 -0.385 -25.655 -12.885 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 1.121 12.190 -29.532 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 -5.673 0.280 7.702 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 -9.355 4.565 11.128 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 -8.409 -4.881 7.190 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 0.927 -0.812 1.313 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 -9.313 8.370 10.793 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 15.605 3.929 4.596 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 2.646 -1.369 -1.378 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 2.992 -5.444 0.970 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 0.548 -9.492 3.443 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 -1.212 -3.317 1.261 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 18.538 12.253 5.345 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 -1.230 -7.023 -5.393 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 -7.111 -0.652 -0.100 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 -5.433 -6.635 -0.143 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 5.826 0.182 -2.668 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 -3.270 2.577 -4.199 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 0.699 6.011 -1.700 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 3.003 -0.345 -13.658 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 0.811 0.023 2.164 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 -26.502 -2.742 -5.603 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 9.602 -17.385 16.214 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 1.937 -7.604 -5.769 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 -18.786 -9.657 -11.048 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 -34.416 -6.882 -15.608 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 1.069 2.058 0.976 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 18.411 10.045 -22.414 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 11.159 6.680 -12.569 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 1.102 -1.129 -2.412 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 -1.026 2.113 -11.685 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 -0.564 6.835 -12.654 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 1.820 1.663 0.869 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 3.196 -0.197 4.498 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 -2.756 11.113 5.314 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 -2.374 1.892 1.631 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 -7.065 -5.701 6.002 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 -4.560 0.424 -31.468 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 -6.072 -0.455 -1.301 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 0.787 19.937 -14.968 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 -13.342 14.261 -11.661 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 0.707 2.745 -2.710 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 -11.845 -4.501 12.148 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 7.483 3.107 -6.984 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 -2.270 -0.660 0.855 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 -9.526 10.298 -2.018 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 7.718 -13.567 2.953 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 3.239 1.256 -8.013 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 7.770 1.266 -13.183 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 -6.432 4.009 -11.974 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 -3.663 8.479 3.889 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 -2.820 13.847 9.465 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 6.687 17.003 -7.007 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 4.893 -3.703 -0.659 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 -3.711 -6.244 -1.724 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 10.408 -8.376 -5.420 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 -4.359 -10.262 -6.076 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 -11.496 -5.444 -10.872 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 -33.945 -9.420 -18.974 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 -2.419 -0.923 7.816 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 -9.484 -14.660 -7.710 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 6.223 14.134 8.592 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 1.005 -5.044 3.433 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 1.123 -9.087 3.244 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 1.150 0.945 5.132 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 -3.169 7.683 3.462 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 -11.417 11.897 -4.665 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 -2.389 15.510 15.903 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 3.343 3.099 -3.952 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 -0.805 9.365 -11.528 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 12.107 7.607 0.263 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 -5.027 5.441 -2.859 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 -6.981 -6.192 -19.262 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 8.597 32.383 -2.004 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 3.658 -4.606 1.747 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 -6.539 6.609 -14.988 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 24.520 -10.268 -3.606 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 5.216 -0.331 -2.387 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 -9.082 2.462 0.628 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 -0.173 -0.640 -0.197 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 9.775 2.461 3.317 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 -6.855 -4.016 18.358 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 13.411 -5.715 -2.088 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 -0.369 -2.302 4.842 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 -1.532 5.441 7.171 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 -11.039 5.307 -8.936 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 3.778 2.127 2.529 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 2.736 2.345 5.120 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 0.611 1.365 10.224 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 4.632 -2.683 -1.138 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 13.515 -15.713 10.260 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 -13.462 -9.857 -0.265 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 -4.343 -1.352 -1.177 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 -12.601 -19.531 11.924 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 7.284 -9.349 3.539 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 -0.161 -5.129 3.930 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 9.063 11.613 10.561 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 -4.749 -13.339 18.135 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 -1.157 -1.748 3.851 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 6.040 -5.744 3.294 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 -8.368 -0.820 -4.938 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 0.229 1.553 2.503 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 7.128 6.187 -10.364 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 -4.615 -0.675 10.187 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 -3.078 0.086 -0.595 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 -7.991 -2.470 -15.783 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 -10.315 -4.270 -27.077 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 -3.013 1.128 -3.492 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 -0.151 -5.231 -7.251 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 0.878 3.500 1.680 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 8.022 -0.085 2.464 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 20.371 -9.628 6.053 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 -10.567 15.162 -4.132 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 12.711 -1.338 -7.537 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 -13.626 20.861 -0.741 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 -18.940 14.990 9.638 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 -3.276 -3.906 -9.791 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 0.269 3.746 0.141 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 -10.109 -7.399 -12.376 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 -2.979 4.157 -0.686 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 -2.255 5.611 -1.007 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 -24.904 23.134 -0.484 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 -9.465 0.512 -0.283 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 9.156 -1.506 4.407 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 -18.046 7.010 -5.145 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 -5.159 -2.522 7.121 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 -24.387 -16.751 9.845 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 -4.561 -6.569 5.671 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 4.601 -2.358 -6.223 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 13.886 -0.442 -11.756 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 11.713 -5.144 -12.367 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 2.669 -5.018 0.810 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 18.202 -30.534 15.754 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 -9.421 15.547 -6.135 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 2.472 -8.364 1.085 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 -3.510 -3.139 -17.562 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 5.807 11.013 10.381 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 -0.971 4.849 1.057 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 -21.466 -4.955 5.958 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 6.430 4.538 -1.482 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 2.614 -5.741 -3.116 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 12.818 20.327 -15.539 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 -25.547 -4.645 -0.584 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 -0.889 -1.903 2.748 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 -7.796 -6.718 4.567 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 -21.173 -10.883 5.694 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 4.006 3.088 3.302 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 -3.784 -2.713 1.978 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 1.572 -3.466 0.102 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 0.776 -0.069 2.091 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 -3.115 0.900 8.530 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 -10.750 5.079 -10.843 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 -3.789 2.140 -2.131 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 2.664 -0.994 -10.379 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 3.440 2.856 5.509 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 -2.026 7.067 -2.608 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 -14.512 1.952 5.309 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 -11.161 -10.760 -0.341 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 -0.046 -6.641 1.649 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 -12.291 -41.907 24.101 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 10.612 16.073 10.050 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 -1.447 7.658 4.745 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 2.036 6.347 11.234 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 -7.998 10.815 -0.838 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 -0.414 0.938 -0.560 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 -11.366 -20.342 9.638 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 -4.893 1.298 -13.945 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 -3.093 -8.018 -8.823 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 -2.885 -6.979 -4.540 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 -16.168 -25.019 -7.251 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 0.507 -8.959 1.839 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 16.688 -2.523 -18.673 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 6.743 -7.217 15.964 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 3.238 -0.858 1.926 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 4.403 5.583 1.691 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 6.218 -17.448 2.396 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 2.127 -5.188 -7.004 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 0.530 -0.454 -8.221 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 0.723 -2.975 -7.425 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 -1.014 4.132 -1.913 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 5.602 13.709 -26.640 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 -2.532 -5.316 -4.651 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 1.364 1.393 0.140 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 6.308 -3.132 9.279 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 -4.199 6.668 -9.118 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 -5.435 -1.536 -1.420 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 -4.917 -16.980 -9.493 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 0.279 15.021 4.724 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 3.277 -3.525 1.550 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 26.918 -3.768 -0.167 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 -5.026 2.825 -13.116 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 -4.629 5.999 -3.384 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 -2.541 9.971 -8.896 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 -10.372 10.312 -1.699 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 -1.893 -6.064 -1.763 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 -4.611 -6.513 1.410 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 -11.913 -14.501 -5.855 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 2.447 -0.210 2.448 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 13.610 -12.659 -1.977 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 -15.057 -6.682 21.031 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 2.706 2.154 -1.891 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 15.258 2.463 1.173 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 -7.082 -9.894 6.728 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 3.033 -2.471 -0.247 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 34.043 10.183 7.758 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 -8.834 17.489 18.983 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 1.237 7.362 5.699 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 6.839 6.245 4.632 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 20.702 3.641 1.365 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 8.291 -1.708 -2.186 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 6.527 8.329 3.211 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 1.003 19.736 -18.897 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 5.620 2.496 7.954 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 7.859 -4.277 15.571 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 5.481 4.189 7.439 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 -2.835 -1.987 -7.360 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 -14.448 -7.812 -3.469 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 -0.774 -23.101 -14.678 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 -3.539 -7.100 -4.475 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 -3.336 -8.174 7.985 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 1.438 21.891 -15.891 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 -1.841 -0.874 -0.267 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 -17.307 9.059 9.580 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 -13.909 1.860 -5.954 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 3.377 1.336 4.075 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 -9.961 4.321 11.141 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 -14.157 5.147 12.406 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 -4.288 -2.593 -4.995 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 8.814 -8.017 -16.279 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 0.222 -6.669 -7.254 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 1.650 6.076 4.289 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 4.230 -5.876 10.204 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 -0.351 3.043 -8.262 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 1.202 -0.461 1.110 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 -4.548 -2.968 3.098 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 8.159 24.594 1.570 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 6.135 1.407 2.081 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 2.198 22.729 -8.599 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 5.928 3.528 15.126 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 -7.138 4.922 5.635 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 -2.956 -4.174 10.858 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 5.665 -7.495 1.088 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 -3.841 -3.550 -0.543 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 -2.065 10.221 -9.523 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 5.959 -14.156 -9.872 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 -3.284 2.039 1.550 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 -0.530 3.847 -2.706 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 -12.774 -3.960 16.403 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 -1.812 -3.614 2.397 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 9.878 -14.820 -3.235 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 8.817 13.891 -1.049 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 -0.574 2.002 -8.254 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 1.164 0.307 0.375 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 -11.649 9.036 -12.776 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 -3.710 0.839 -0.837 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 -2.826 -15.925 2.540 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 -2.004 6.599 0.038 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 -0.595 -0.045 -2.762 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 -1.382 -11.928 3.355 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 -2.981 -3.966 -3.786 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 -6.559 -2.409 -0.048 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 -6.465 -0.065 -0.854 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 6.574 -2.240 -7.106 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 3.161 0.571 3.777 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 25.706 10.646 -10.227 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 13.048 8.013 -13.586 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 -0.811 -3.921 0.729 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 -2.210 12.132 1.414 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 9.504 -8.177 3.412 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 2.616 1.728 0.369 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 -2.802 9.107 1.682 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 13.231 -4.686 -6.782 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 -3.945 3.720 -2.427 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 -19.877 -4.993 5.408 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 -9.760 14.839 0.293 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 -3.627 -6.352 -1.148 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 -13.941 6.253 7.234 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 -15.165 -13.333 -14.473 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 3.106 -0.301 0.493 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 -1.476 2.898 -14.930 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 -0.711 10.480 3.259 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 2.207 -4.248 -3.068 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 9.746 7.800 -13.492 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 2.190 -0.849 10.818 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 -4.811 1.473 -2.749 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 5.764 15.196 -8.084 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 21.730 12.325 -12.058 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 -3.724 -9.910 1.372 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 -9.996 -9.117 -26.596 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 22.528 18.569 14.749 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 4.674 -4.893 -0.209 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 2.425 6.626 -28.946 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 6.471 -1.759 -9.958 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 -2.486 -3.843 0.991 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 8.215 -9.079 -15.763 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 3.234 12.166 30.497 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 4.504 2.377 -4.328 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 7.658 2.341 17.671 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 -8.728 -14.468 -8.268 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 0.132 -4.242 -3.446 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 -13.916 11.280 1.247 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 17.021 2.974 3.518 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 2.795 0.888 -2.371 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 -3.598 1.433 -4.495 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 2.814 2.544 4.583 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 -0.064 -0.444 5.377 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 4.478 1.156 -7.163 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 14.688 4.625 -33.704 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 2.359 4.314 -5.393 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 4.824 0.907 -6.116 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 -1.594 6.645 -5.872 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 0.500 -5.488 -6.790 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 -17.209 -2.306 26.206 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 -6.041 -4.513 4.355 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 -4.051 -8.066 2.739 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 -3.884 -2.576 -1.200 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 -6.211 -6.864 -13.078 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 7.032 -1.868 -0.576 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 -0.441 2.106 0.356 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 6.518 -7.519 1.191 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 1.734 6.781 -1.862 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 -6.040 -19.898 11.080 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 20.433 -12.370 0.103 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 -4.559 4.656 -0.559 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 8.277 -34.063 19.525 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 -7.426 14.497 7.441 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 0.662 -2.297 -0.355 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 -1.535 -11.992 -4.555 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 1.925 7.049 -4.839 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 1.021 4.404 4.410 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 15.601 35.290 -18.722 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 -15.111 24.769 10.795 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 2.313 1.999 -7.916 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 15.262 -24.006 4.170 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 16.155 -17.047 14.834 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 10.130 -1.091 -1.801 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 11.597 21.526 -16.139 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 12.297 -17.036 -1.207 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 5.786 0.000 -0.489 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 7.125 -0.999 -2.492 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 -15.213 1.352 6.449 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 -0.440 2.014 2.860 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 5.045 10.745 3.627 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 -7.913 3.721 -11.075 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 -1.899 -0.256 -2.141 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 -9.774 -2.385 -0.282 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 6.697 -0.095 4.623 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 0.497 -2.272 -0.048 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 1.439 -2.955 -2.679 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 9.103 0.256 12.042 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 3.181 3.016 -0.434 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 -17.560 -12.122 -17.982 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 1.599 16.332 8.562 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 4.921 3.878 -2.948 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 14.321 3.794 -12.591 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 -7.953 7.267 9.633 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 -0.017 2.037 -0.913 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 7.066 19.548 -16.003 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 4.370 1.040 0.005 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 6.085 -5.249 -2.271 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 9.671 -3.702 -1.279 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 5.023 -14.567 0.613 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 -1.633 5.434 1.622 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 -2.791 3.832 11.812 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 -16.113 -1.061 -8.535 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 3.634 -2.848 3.838 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 18.127 -6.253 -2.907 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 -1.838 -2.492 -6.285 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 -0.615 2.928 -6.617 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 -19.945 17.896 10.037 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 1.068 -3.240 -12.330 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 0.032 -2.379 7.010 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 4.875 3.630 11.576 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 -11.855 -7.717 10.802 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 4.298 0.431 -3.252 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 -19.295 13.433 2.304 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 -3.545 -20.025 -14.061 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 -6.314 -2.077 5.208 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 0.035 17.122 15.998 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 1.184 -8.000 8.450 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 0.711 4.221 -6.479 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 9.344 13.274 -7.088 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 -48.103 -15.976 7.659 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 -2.317 0.097 -5.864 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 0.697 -3.254 -6.590 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 -3.287 -0.218 2.368 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 -9.157 1.904 -7.019 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 -9.715 -8.204 -15.249 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 -9.769 15.183 1.474 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 4.181 -0.115 3.310 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 2.444 4.768 -9.976 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 8.784 1.035 -1.675 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 -1.170 -1.880 5.189 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 -11.248 2.709 3.595 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 -31.975 14.450 8.812 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 10.732 1.204 5.349 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 -0.241 -20.201 -8.037 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 -16.247 6.083 0.287 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 -2.715 1.124 -4.057 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 0.765 22.811 -0.541 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 -12.295 7.173 2.725 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 2.387 -4.837 -1.834 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 7.511 -10.100 3.274 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 -0.274 -1.756 -4.687 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 -2.561 7.369 -0.859 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 12.379 -8.120 -1.410 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 4.271 7.298 -4.214 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 -7.861 5.806 0.308 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 10.426 -3.078 -14.275 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 -17.494 2.942 -6.576 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 0.268 -4.734 0.219 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 -2.999 5.630 -0.708 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 10.283 -17.100 -11.509 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 0.239 0.760 -0.910 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 10.560 0.271 -15.098 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 7.809 15.927 5.843 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 2.004 -2.360 5.562 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 5.144 -10.648 -10.860 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 4.772 -3.491 10.767 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 0.238 2.649 7.501 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 3.425 13.953 -0.459 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 -3.426 22.632 9.507 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 4.427 -1.585 -8.846 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 -6.244 -5.144 -2.159 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 -0.545 -4.800 -7.013 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 0.959 1.132 -4.695 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 -1.465 -1.383 -6.678 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 7.242 -2.346 -10.933 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 6.770 4.209 3.268 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 1.010 -11.301 1.936 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 12.306 23.144 2.756 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 -3.790 -0.810 -1.165 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 0.259 0.539 0.227 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 -3.871 1.189 -5.813 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 2.661 2.206 -6.351 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 -15.177 -2.831 -8.175 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 8.607 4.193 1.153 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 0.798 -4.814 11.005 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 5.805 -2.277 3.719 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 -0.780 -15.312 -4.870 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 4.037 2.947 3.267 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 -1.690 -7.770 0.550 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 -0.624 13.400 6.840 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 -1.792 1.548 3.420 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 -2.351 3.628 8.444 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 -15.130 -5.083 -2.845 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 -0.933 -1.235 -0.348 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 -21.385 6.413 -22.716 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 8.103 -4.781 10.894 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 -4.469 0.696 1.466 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 -2.398 -20.103 -16.872 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 0.536 -15.489 6.527 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 5.048 4.755 -0.728 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 8.830 2.797 -17.142 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 1.519 -9.644 3.539 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 2.941 -0.887 4.542 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 -11.712 -18.507 -5.095 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 -12.339 0.465 4.245 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 -5.255 0.473 0.721 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 21.539 9.785 19.402 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 4.012 -10.495 -15.618 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 6.008 6.180 -2.834 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 -21.465 10.207 -6.735 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 10.524 11.418 -22.035 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 -2.187 -7.279 -3.808 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 3.461 -5.306 10.918 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 -9.572 -0.195 -4.041 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 6.154 0.136 3.067 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 -7.035 6.272 -14.050 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 1.727 11.725 -15.817 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 -4.084 -6.444 5.850 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 -10.990 6.820 9.682 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 1.086 7.633 11.768 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 5.016 6.261 -4.567 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 9.943 3.504 -3.237 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 -12.564 5.051 -12.295 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 -0.298 1.676 -2.042 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 -3.026 -4.944 0.419 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 -10.176 -8.718 -7.444 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 1.200 7.476 -4.727 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 8.528 -4.968 11.242 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 16.461 9.538 -13.996 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 -7.195 0.034 -0.986 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 -5.725 2.697 -4.744 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 -8.118 5.485 6.281 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 1.390 -5.584 2.275 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 -8.418 1.307 -3.567 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 0.034 2.146 -18.653 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 -2.165 -0.856 -2.000 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 4.003 29.684 6.698 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 -16.680 -16.582 40.266 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 -1.509 -4.089 -2.040 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 12.206 -10.239 -3.213 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 14.528 33.652 -14.313 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 -5.172 0.373 -1.390 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 6.027 9.962 1.719 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 -10.901 -1.477 5.621 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 -5.711 -3.410 5.920 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 -14.853 10.622 23.109 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 -3.236 -19.280 17.549 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 -2.976 -2.494 2.164 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 -7.205 -1.635 3.231 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 14.490 -9.486 -2.111 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 -0.820 0.946 -3.372 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 2.382 2.819 -7.901 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 0.577 -4.465 -11.823 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 -3.295 -5.631 6.693 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 8.820 -20.653 4.868 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 11.064 6.199 -14.137 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 1.808 -1.387 -0.463 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 -8.238 -6.507 10.970 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 7.261 5.495 -9.230 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 -0.525 0.938 8.677 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 30.276 -1.771 -6.136 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 18.173 -0.795 3.108 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 0.260 -3.377 3.748 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 -19.158 -18.682 -18.036 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 -4.489 -0.118 19.448 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 3.616 -5.348 -5.140 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 1.266 -2.877 2.590 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 -3.438 16.077 5.451 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 8.359 1.846 7.771 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 6.051 0.774 21.412 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 29.486 7.783 5.610 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 3.200 -3.455 1.207 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 -12.879 9.371 2.968 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 5.695 -13.230 -19.000 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 -5.248 1.466 -1.153 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 1.976 -1.996 -12.388 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 -5.384 1.493 -8.333 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 2.714 6.957 -0.681 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 -1.566 9.549 -1.875 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 9.024 -1.038 13.287 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 2.972 1.212 -6.610 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 2.456 -4.554 14.762 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 -2.627 6.098 -15.944 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 -7.811 4.528 -4.621 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 -4.042 13.518 -12.340 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 0.879 6.649 2.013 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 8.777 0.710 3.725 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 -22.365 18.815 -7.606 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 6.734 -31.967 -13.998 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 0.271 6.600 6.676 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 -8.592 -2.833 2.801 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 3.454 14.488 -4.562 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 11.165 -0.907 -3.394 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 6.506 -21.923 -1.521 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 8.217 9.933 8.935 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 2.548 3.256 -2.785 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 8.312 -25.380 -14.210 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 -1.977 -4.077 3.672 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 -4.525 1.181 -1.173 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 -1.979 7.921 11.241 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 7.002 -9.535 35.336 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 -1.132 -2.552 -2.571 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 2.663 2.510 10.415 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 4.527 7.520 -11.263 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 3.852 -2.032 0.373 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 15.865 -35.242 14.615 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 -12.405 0.614 -17.090 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 -2.340 -4.992 6.947 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 -2.197 -6.979 9.471 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 -2.289 -5.408 7.829 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 1.340 0.608 -2.113 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 0.802 19.402 2.956 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 -5.788 -10.002 2.178 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 -3.195 -3.188 2.315 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 6.387 19.403 18.655 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 -10.930 -19.843 -2.296 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 -0.683 -4.242 2.647 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 -23.007 10.177 -11.313 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 -24.002 -0.775 -1.793 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 5.056 -1.635 -2.477 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 16.339 -3.694 -1.091 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 -7.612 -2.813 -7.003 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 1.769 2.037 0.529 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 -1.735 5.862 -5.886 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 -1.669 10.455 -14.894 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 -2.415 -6.506 -5.033 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 -12.214 -16.872 20.581 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 -0.057 9.992 6.766 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 -0.195 -12.514 -0.175 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 2.360 -3.598 -8.232 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 -22.175 -21.726 12.200 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 -9.515 -1.949 2.045 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 -6.591 -8.133 -21.798 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 -7.392 -2.527 -13.352 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 5.180 5.701 10.528 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 -6.010 0.244 -5.547 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 0.640 -4.547 6.288 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 0.081 -0.475 3.626 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 -4.179 -6.856 -1.565 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 -8.250 -9.998 -9.751 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 2.115 -4.705 0.457 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 20.997 -25.947 5.259 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 -1.841 -13.135 -7.988 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 -1.958 2.387 -1.577 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 -16.161 -15.058 3.492 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 12.653 1.240 -11.576 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 6.541 1.425 -0.416 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 -2.470 7.047 -13.491 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 -2.808 -10.592 0.423 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 -1.881 -1.150 6.481 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 -18.988 -1.433 2.658 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 7.880 -1.862 10.971 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 4.782 -7.718 1.163 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 -1.493 -19.765 7.637 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 7.724 -1.339 -4.916 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 1.008 1.182 -0.517 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 15.978 -1.963 -16.620 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 18.263 -7.537 6.019 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 -10.804 -2.566 -3.620 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 0.729 10.849 -3.537 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 14.587 9.236 -3.275 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 -1.412 4.512 2.205 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 1.107 4.731 13.999 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 -14.351 5.926 -3.346 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 -6.138 5.597 0.134 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 -8.374 6.592 -0.475 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 11.441 -0.022 4.625 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 -3.672 -0.861 -2.365 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 13.657 17.007 -10.194 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 -18.349 24.647 -13.212 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 -5.625 -3.360 -3.772 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 -4.773 2.724 1.022 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 9.974 -6.115 3.214 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 -3.046 6.688 0.239 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 9.954 2.889 8.191 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 -16.519 2.746 -8.411 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 -3.537 -0.732 7.505 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 -10.122 -2.685 8.125 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 5.233 -1.660 5.605 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 3.562 -1.696 2.840 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 0.355 -5.550 1.904 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 -0.090 -15.745 8.420 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 -1.789 1.971 5.113 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 -3.545 15.383 -4.284 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 0.471 13.373 8.466 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 3.464 0.281 2.853 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 9.220 -1.340 3.760 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 24.507 -11.998 -3.812 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 -4.773 1.644 -0.677 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 -20.040 6.686 -17.252 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 7.007 -7.388 -6.286 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 7.861 -3.059 -0.764 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 -22.043 -9.067 -16.414 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 6.632 0.498 14.522 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 -3.482 2.311 0.962 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 0.030 -4.030 12.332 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 9.505 2.000 -12.724 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 -0.550 -4.151 5.360 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 0.676 -10.232 3.322 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 -11.001 -3.921 7.361 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 2.132 -2.959 9.007 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 7.180 -3.998 1.702 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 -6.226 -0.028 7.066 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 -1.656 1.483 4.196 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 -9.121 10.163 -5.225 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 -5.982 8.388 0.790 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 -4.184 3.408 -1.234 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 5.207 -12.552 -21.843 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 -11.155 15.957 9.993 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 -2.942 -4.498 2.538 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 -4.127 12.070 10.931 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 -9.648 3.927 6.252 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 -0.218 2.150 -1.684 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 -3.620 7.055 3.614 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 3.619 0.954 10.830 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 -3.864 -3.501 3.588 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 -17.952 4.974 3.187 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 19.718 11.688 12.823 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 -1.092 6.333 -5.833 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 0.115 5.845 -6.501 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 -4.785 2.327 1.557 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 1.769 -4.690 5.879 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 -3.212 10.854 8.084 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 -4.046 -13.454 18.673 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 7.332 3.936 5.105 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 -4.161 6.285 16.332 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 -3.257 2.073 -6.147 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 -5.041 -3.220 8.170 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 3.148 -7.061 9.400 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 -1.974 3.589 12.570 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 -1.382 5.582 -2.962 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 -1.251 -1.908 -0.787 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 4.869 -3.945 34.367 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 -1.331 2.404 4.436 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 -11.096 10.320 -7.467 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 -4.812 7.287 0.293 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 -3.012 -2.140 0.444 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 -16.083 -9.132 13.193 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 -21.358 -21.121 0.742 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 0.257 -0.564 -0.931 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 -0.452 -2.196 -1.200 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 -0.561 2.019 6.756 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 1.755 -2.974 -1.884 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 -5.978 -12.289 18.092 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 -10.055 0.417 -3.190 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 -0.921 -3.796 -7.238 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 -11.250 12.939 10.105 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 13.749 6.561 -15.221 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 -5.788 7.434 -11.087 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 -1.223 10.981 -15.508 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 -1.297 -0.961 1.428 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 3.188 -5.806 1.964 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 8.999 -3.678 1.714 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 6.310 0.194 20.368 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 -2.645 -1.540 2.564 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 1.157 18.668 -0.274 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 8.726 -3.437 11.707 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 1.428 -2.544 3.976 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 -4.333 25.257 8.926 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 0.226 8.299 17.115 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 -5.771 -0.341 -4.276 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 -18.962 -18.203 9.368 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 35.446 -1.670 -8.695 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 1.234 -0.786 7.304 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 -5.707 -6.536 -0.816 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 -10.360 -6.767 16.636 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 -0.389 6.734 2.344 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 15.394 -0.600 -9.095 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 14.592 5.077 -5.746 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 4.233 4.573 -4.437 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 9.551 19.841 -7.043 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 -4.676 -17.855 -0.464 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 -7.292 -2.662 -1.173 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 -27.344 5.987 14.658 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 3.070 -9.894 -15.862 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 2.795 4.845 -4.028 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 -0.894 10.371 -14.036 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 -0.992 -5.986 -7.408 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 -7.487 -1.203 4.982 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 5.550 23.686 6.500 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 -3.071 -16.583 13.401 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 3.147 -0.721 -3.696 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 -0.567 -5.560 -12.138 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 10.627 5.917 -4.251 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 -1.555 -2.281 2.636 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 -30.835 4.710 -21.745 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 27.011 3.895 -17.604 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 -7.024 -0.285 6.101 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 -13.935 7.736 -6.207 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 -11.408 15.476 0.926 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 2.147 5.551 -0.127 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 7.250 4.953 -4.257 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 -8.164 2.841 -3.063 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 0.821 0.424 2.105 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 -5.247 1.007 25.190 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 16.143 -14.002 11.696 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 1.898 6.569 5.759 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 0.765 -0.725 3.034 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 -3.188 5.943 3.572 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 3.077 6.702 5.710 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 4.910 -17.466 10.906 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 9.385 7.148 -17.329 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 -2.847 -5.689 -1.561 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 3.011 10.642 8.538 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 -0.980 -2.994 -7.047 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 -0.876 6.065 -2.535 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 1.547 1.032 -5.058 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 10.583 -19.974 -15.710 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 5.137 -0.636 -1.836 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 0.709 9.593 3.027 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 -5.529 -0.821 -6.135 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 -0.325 1.186 -1.392 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 -6.315 1.367 5.654 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 9.059 -6.922 1.822 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 -5.436 1.981 -1.649 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 4.205 -7.442 -20.008 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 -4.099 -1.185 -5.269 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 1.777 -4.241 -0.679 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 0.475 -3.042 -6.476 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 7.140 2.994 -11.282 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 4.767 3.546 -2.440 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 -1.382 -5.127 -2.102 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 16.589 7.440 -10.492 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 -7.552 -0.951 -0.605 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 -3.179 -10.363 -3.424 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 -13.533 1.376 0.881 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 -3.227 10.342 2.261 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 19.918 17.528 -12.596 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 -2.153 -9.166 -14.982 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 -2.764 -0.117 -2.200 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 0.304 8.157 -29.388 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 -5.507 -2.330 9.195 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 0.522 6.496 -5.146 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 -29.306 9.260 13.570 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 19.120 -11.085 -12.483 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 6.152 -2.277 -3.270 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 -2.855 9.425 2.783 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 -10.351 -5.693 10.247 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 -1.115 0.772 0.879 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 6.095 9.394 6.365 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 -17.050 -24.819 -10.896 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 -1.948 -8.727 3.881 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 0.588 3.835 -3.055 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 -5.959 -5.743 -0.127 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 -1.392 7.268 -8.721 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 -18.197 2.898 19.036 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 -2.841 5.241 -6.463 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 0.238 1.180 -9.502 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 10.276 -2.913 -3.892 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 1.431 4.705 -8.946 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 3.208 3.944 -2.069 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 -26.360 -10.361 -6.975 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 -13.870 -4.112 -4.982 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 -3.541 4.582 4.462 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 -11.293 15.166 -3.809 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 1.719 -5.383 25.032 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 0.912 -0.304 1.134 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 -18.438 -1.839 -15.226 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 8.759 -11.622 8.227 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 -3.073 -0.557 -0.708 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 10.069 -16.391 3.337 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 -17.910 -9.252 -11.687 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 1.971 4.319 0.842 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 -25.905 6.029 -10.076 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 -10.733 7.789 -7.148 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 -4.099 2.424 2.213 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 -5.220 9.887 -16.849 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 8.383 14.592 -26.839 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 -0.106 1.500 0.950 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 -13.263 -0.577 6.875 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 12.496 0.657 -14.412 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 -0.232 7.155 -5.979 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 5.295 -5.545 -4.783 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 0.269 3.299 5.004 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 6.809 0.638 -0.719 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 6.287 -1.573 -1.702 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 5.858 -7.010 3.180 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 -2.035 -2.343 -2.822 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 -5.467 -27.228 18.169 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 19.632 15.115 9.014 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 1.661 1.057 -2.687 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 8.213 -1.665 14.760 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 0.324 -3.037 -2.621 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 -0.183 -3.073 -3.881 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 15.163 5.742 7.238 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 -8.887 -5.861 -13.154 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 4.562 -0.530 -10.478 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 7.520 -14.393 -2.773 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 11.326 11.525 1.065 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 -4.208 -1.857 0.065 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 -13.897 3.971 8.837 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 21.881 0.699 8.376 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 5.331 0.774 0.089 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 -18.810 2.041 8.923 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 45.172 -6.781 -35.866 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 -0.684 -1.023 6.896 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 -6.507 -16.528 -8.074 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 -6.373 -13.980 -11.048 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 -6.817 1.263 -8.517 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 -18.099 5.017 -9.838 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 -11.244 -9.593 -4.082 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 -2.529 -4.689 -10.349 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 -16.305 -4.455 -17.450 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 2.961 -5.105 -6.992 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 -1.861 0.906 -1.575 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 3.032 0.780 37.667 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 -5.483 6.964 -5.409 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 -3.781 3.071 -3.513 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 14.084 -22.128 -4.537 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 -9.065 10.069 -3.359 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 7.896 1.648 6.409 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 6.526 5.722 1.163 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 3.327 0.032 13.347 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 -0.008 4.172 -4.269 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 -9.089 14.220 -3.942 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 5.649 7.098 -3.102 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 8.927 1.876 0.924 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 -13.936 20.490 10.029 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 5.565 7.624 9.193 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 -4.165 -2.346 -0.121 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 9.787 7.065 -26.664 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 -7.497 -6.010 17.392 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 -2.044 -4.810 -2.128 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 1.104 15.128 -8.395 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 11.327 4.307 13.463 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 0.869 -2.043 4.960 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 4.490 -3.306 3.011 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 29.728 -1.770 10.416 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 -3.989 -2.361 -3.393 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 -3.138 9.913 27.541 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 7.288 4.218 14.016 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 0.043 -1.768 -1.464 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 4.865 -15.291 -5.108 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 2.212 -12.347 0.608 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 3.811 -4.205 4.183 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 12.971 7.743 -2.681 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 22.746 -3.321 -5.896 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 2.980 3.794 -2.653 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 -4.783 20.490 -14.784 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 -1.109 18.757 -13.117 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 7.964 -2.865 2.261 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 14.623 0.510 5.521 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 13.980 -0.167 0.030 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 -0.028 -1.541 4.608 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 -3.480 -9.761 3.157 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 8.142 -15.144 -1.196 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 -6.187 2.991 -2.407 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 13.488 -10.437 -12.827 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 3.853 -4.284 4.490 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 8.491 4.654 7.033 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 10.100 -14.152 10.833 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 4.429 1.531 7.264 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 0.931 -2.191 0.606 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 9.697 0.336 -12.677 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 -5.402 -3.920 -14.189 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 -5.497 2.078 -5.853 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 -9.297 -0.579 -6.945 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 17.448 21.005 7.158 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 2.058 2.506 4.647 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 10.371 12.088 -12.002 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 -17.080 -4.913 -0.421 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 -2.031 8.134 -0.256 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 3.269 11.162 -1.565 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 40.045 -17.593 -26.910 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 3.600 -0.120 5.534 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 -1.772 -28.442 -12.536 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 26.747 20.982 9.556 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 -2.190 2.184 3.062 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 13.432 20.932 5.547 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 9.207 -17.090 8.059 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 -2.944 1.819 -0.266 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 15.294 9.729 -19.798 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 3.302 -0.715 -6.542 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 1.643 -3.951 5.749 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 -1.767 -7.365 10.527 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 -8.736 -2.583 21.567 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 -4.947 1.606 0.584 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 13.563 -26.570 3.341 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 -11.986 4.868 5.493 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 1.435 6.553 0.672 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 -9.461 14.619 -1.920 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 -4.451 -3.489 -5.473 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 -0.720 -1.677 -1.803 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 -18.849 -29.918 16.106 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 -6.286 26.328 13.297 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 2.201 -1.652 -0.660 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 30.025 -12.760 5.860 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 22.524 -7.211 1.391 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 2.307 -2.114 -1.404 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 7.272 1.812 8.996 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 -1.233 4.555 -3.754 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 -0.212 -1.235 2.477 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 -5.860 17.869 7.260 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 -5.816 -3.298 17.538 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 -1.487 -0.281 -0.411 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 1.651 2.619 5.720 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 1.171 4.091 -2.600 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 -1.668 6.991 2.519 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 -20.445 3.423 8.013 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 12.263 7.973 0.158 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 2.564 0.898 5.133 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 14.242 -5.741 8.321 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 -11.268 17.259 -3.393 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 -1.528 -1.692 0.951 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 8.804 10.173 -3.786 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 8.529 1.736 -15.266 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 2.199 4.039 5.870 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 0.044 6.966 10.439 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 8.480 0.786 -2.286 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 4.676 -6.785 -0.385 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 1.343 -7.045 14.995 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 -20.129 -20.955 0.485 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 -0.753 -3.491 -0.204 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 0.510 2.025 -3.980 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 -11.454 -1.221 -0.332 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 -3.836 4.378 -2.954 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 -5.890 -22.727 -6.763 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 -23.995 -19.464 0.741 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 0.082 3.843 1.469 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 -13.153 -9.157 -3.424 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 -6.484 -0.421 6.169 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 -4.281 -3.296 -1.713 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 -11.379 2.727 -2.029 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 12.693 -14.712 0.919 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 4.626 1.064 1.236 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 -1.744 6.065 34.317 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 -9.941 20.066 -8.477 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 -1.741 5.047 5.487 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 -5.181 6.726 7.270 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 24.541 -11.324 3.781 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 0.953 -1.375 10.154 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 -8.902 -18.860 21.843 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 -9.574 -16.802 19.271 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 -1.058 3.630 0.442 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 -8.126 0.130 1.501 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 -23.150 5.316 1.827 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 -0.017 2.301 -2.574 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 0.383 0.904 4.517 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 0.042 2.596 3.463 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 -0.191 7.784 4.340 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 -12.211 7.850 -1.626 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 -1.894 -13.560 12.033 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 2.816 0.421 -1.984 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 -11.529 -4.224 6.354 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 12.043 3.512 -6.355 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 1.734 -3.011 3.925 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 7.701 -3.426 1.648 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 -6.995 -4.797 1.455 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 8.646 0.823 -2.220 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 15.363 -5.490 1.617 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 -1.679 4.914 -0.412 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 13.160 6.108 -3.178 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 18.842 -23.917 -5.043 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 1.508 28.105 -11.343 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 -0.126 0.099 -0.137 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 -2.121 1.117 9.031 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 5.191 7.874 -9.214 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 0.736 6.994 -3.861 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 -1.006 9.394 -3.697 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 8.113 5.695 5.847 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 -4.190 -5.867 -1.772 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 28.526 -6.153 -7.094 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 -0.712 -2.616 -0.018 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 -3.218 -1.987 1.697 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 -16.755 8.283 17.306 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 -15.422 7.385 14.646 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 -3.235 4.044 2.084 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 -0.547 8.290 11.521 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 -10.144 10.716 -2.896 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 -0.441 0.132 -3.712 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 5.608 0.981 -0.118 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 14.691 2.965 13.653 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 0.538 -2.310 2.662 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 -8.582 -17.367 -1.446 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 10.674 1.238 -1.334 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 -5.475 -4.347 -4.217 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 -15.831 13.439 14.388 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 -6.992 0.822 -1.009 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 1.134 -0.458 1.817 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 -14.051 0.668 -10.174 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 -1.702 2.341 -12.803 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 2.837 2.309 -3.363 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 1.870 -2.034 -6.591 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 4.104 7.425 1.654 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 1.389 4.117 -0.929 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 7.610 -5.653 -21.368 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 -2.769 -2.535 -2.632 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 -1.621 -4.901 -0.718 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 23.372 -0.315 21.388 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 14.268 -2.123 13.375 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 -3.589 -4.462 -4.082 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 0.035 -10.463 3.823 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 -8.551 -4.948 4.307 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 -3.048 1.567 -0.481 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 -11.813 3.366 7.151 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 0.333 -5.925 6.018 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 -3.812 0.143 8.883 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 14.901 22.169 1.218 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 21.475 33.798 17.376 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 3.957 2.829 -7.122 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 -1.606 9.884 -6.228 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 8.618 -1.444 -19.414 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 -0.032 -6.994 -4.534 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 5.597 -23.306 -2.829 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 1.576 0.053 -5.862 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 -3.271 -1.054 -2.783 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 -14.718 -5.175 -22.678 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 9.918 18.750 -6.200 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 3.530 0.161 2.812 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 -6.923 14.695 -1.737 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 13.907 -32.240 -7.036 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 -1.154 -3.317 -0.451 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 -22.278 -8.703 10.091 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 0.683 20.928 5.255 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 -3.537 -7.505 3.265 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 3.921 -13.272 6.210 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 -4.275 9.232 -12.866 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 3.205 2.110 8.628 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 -11.507 6.004 12.379 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 -14.031 -2.212 6.299 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 0.204 0.869 -0.226 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 -2.734 1.720 -13.339 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 10.134 16.567 -24.264 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 -0.255 -1.881 6.604 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 17.087 -22.777 18.549 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 2.552 -15.430 -28.749 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 2.434 -0.245 3.968 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 4.314 -13.370 -6.648 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 11.643 -4.198 1.448 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 0.056 1.799 -1.080 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 -1.890 5.416 -2.472 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 -21.509 -3.629 -7.060 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 -4.318 -2.630 -0.914 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 17.279 7.556 10.841 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 10.245 1.433 -18.056 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 -6.957 -1.107 0.365 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 -0.726 8.478 3.815 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 -17.158 13.097 -18.646 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 -6.154 1.957 0.071 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 -6.040 -8.527 3.634 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 -4.771 11.087 10.876 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 -0.395 1.857 3.479 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 -8.551 -2.635 11.028 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 -5.361 25.684 -4.680 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 -0.778 -0.106 -6.636 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 -12.325 -12.824 -1.143 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 14.893 1.032 -21.423 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 -3.787 0.259 7.594 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 16.923 -18.689 -1.557 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 -6.291 3.666 -3.737 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 -1.911 -6.395 2.747 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 6.367 -10.218 2.952 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 -15.858 -1.399 1.051 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 -1.440 -5.582 -1.249 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 9.104 -0.204 -1.126 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 -3.220 -5.104 4.999 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 -2.591 5.952 -3.069 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 3.616 1.066 12.790 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 3.286 -2.464 -1.464 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 -3.394 0.132 0.239 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 -2.758 5.169 -7.775 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 -0.992 10.147 7.748 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 3.298 4.273 6.581 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 -9.912 -6.978 -7.794 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 12.174 7.514 2.721 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 -2.946 -0.970 -7.980 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 -7.513 -5.922 -9.659 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 -2.760 0.453 -16.775 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 -1.672 -0.762 -7.459 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 -18.658 -10.919 17.221 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 26.633 -5.880 -1.083 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 -2.980 -1.937 3.144 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 -11.016 1.513 -14.890 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 4.139 -3.221 10.377 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 -1.211 5.988 -10.199 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 -3.686 5.299 -7.482 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 14.533 3.160 -0.239 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 -4.285 -0.279 2.602 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 -10.545 0.524 6.776 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 9.977 18.764 11.781 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 5.020 -0.597 3.016 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 10.467 -9.159 -0.784 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 3.410 1.015 9.155 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 2.959 -0.717 -0.970 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 3.049 -0.774 8.921 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 15.475 6.814 4.819 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 6.652 -4.156 8.433 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 -15.466 9.502 28.985 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 -2.792 -2.164 5.254 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 4.653 -1.302 -6.645 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 -1.897 1.998 3.412 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 -9.571 4.120 8.327 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 -0.872 -0.137 0.354 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 -8.567 -27.037 -21.147 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 16.964 14.369 9.781 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 -0.814 -1.998 -2.418 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 1.894 11.050 5.967 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 8.628 -13.470 4.038 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 -1.357 -6.650 0.869 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 5.123 -0.725 26.544 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 -29.512 -6.384 -23.133 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 0.934 -3.520 -7.738 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 -7.913 2.367 9.189 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 -17.073 -4.294 -21.124 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 -4.284 -2.189 -4.939 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 14.764 2.410 7.765 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 -6.445 -7.376 4.935 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 2.131 2.824 -0.963 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 5.971 -2.787 3.672 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 1.202 0.901 10.637 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 -7.260 -1.405 5.067 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 -3.467 -3.365 -2.062 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 6.530 -2.081 -5.638 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 2.683 3.273 0.416 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 -0.525 15.768 4.014 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 -13.532 -12.527 -3.081 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 2.488 3.134 2.096 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 10.116 21.704 -7.470 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 -13.154 12.598 16.663 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 1.637 0.667 1.897 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 15.681 -9.741 8.007 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 -6.380 6.653 -1.273 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 -1.219 -0.709 -0.699 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 -1.411 0.145 6.610 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 -10.872 -5.619 -14.362 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 -4.403 0.471 -3.279 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 -23.526 -3.123 17.293 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 -5.965 24.763 33.282 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 1.291 -7.337 0.994 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 19.941 10.762 20.177 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 11.396 0.417 9.251 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 1.979 -3.733 -0.533 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 -4.366 1.623 -24.694 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 21.570 5.164 18.691 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 -6.255 3.150 -0.718 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 -10.032 21.578 -19.659 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 -4.454 -6.986 -10.364 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 -6.749 5.522 1.803 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 -6.586 -0.327 17.673 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 -4.440 -0.913 1.411 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 -0.665 4.541 -0.508 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 1.234 5.382 11.300 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 -3.734 14.943 -6.079 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 -0.156 1.321 -1.700 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 2.096 6.851 -7.873 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 3.313 -6.810 -3.683 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 8.550 -5.948 0.513 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 -2.800 -12.417 13.640 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 4.216 13.823 8.045 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 -5.145 -2.393 -3.325 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 -11.214 1.355 -6.473 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 0.205 -6.812 -4.211 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 -2.647 3.640 0.335 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 4.964 -1.301 2.536 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 11.842 -4.416 -4.741 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 0.079 0.349 2.485 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 -6.654 -15.617 12.024 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 16.238 -13.780 -5.482 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 -1.297 -2.170 -4.736 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 -4.318 -2.617 -8.447 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 -0.431 -0.691 -20.499 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 3.789 4.301 10.166 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 10.941 -7.127 10.909 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 -9.335 14.294 0.825 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 -9.787 -3.155 4.195 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 -10.739 10.305 14.491 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 -11.614 -0.960 7.017 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 -2.322 -3.881 -1.573 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 -5.305 20.118 -22.436 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 -2.705 -20.496 12.074 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 4.673 -1.149 4.291 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 2.700 3.938 4.884 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 2.326 -3.015 7.523 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 3.460 5.234 -2.700 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 6.580 12.778 -3.425 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 6.711 18.621 -3.816 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 2.735 1.883 -1.615 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 18.455 -17.111 -13.022 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 10.806 -5.236 -6.608 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 -1.530 -3.328 -5.836 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 6.459 -23.826 -7.951 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 7.773 -14.397 -1.144 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 2.308 -2.582 -2.266 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 11.048 -3.134 21.438 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 2.407 -2.884 -3.199 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 1.631 -0.491 -3.359 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 5.283 17.024 -8.093 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 7.838 4.347 -7.435 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 1.544 -4.057 -3.856 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 10.514 -1.959 4.151 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 -7.456 1.779 2.290 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 -3.924 -2.629 3.711 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 2.998 -6.570 18.413 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 -4.845 -7.362 6.445 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 -2.119 0.826 -1.529 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 -5.559 -13.882 8.985 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 -3.891 -8.875 5.147 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 -2.147 -3.837 5.869 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 11.449 -12.375 13.137 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 7.316 -5.009 7.992 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 -4.772 -3.792 0.716 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 -2.590 -0.635 2.499 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 -8.951 -0.127 21.964 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 -1.347 -6.023 -1.423 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 -7.087 -4.333 -11.384 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 -13.264 5.561 3.037 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 -11.195 -4.057 3.278 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 15.580 -15.556 -0.331 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 4.876 -9.534 -10.691 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 0.847 0.175 -0.202 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 3.120 7.051 -4.259 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 1.031 -2.137 5.784 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 3.367 1.295 -3.090 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 8.768 -11.658 6.187 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 -0.213 5.778 8.182 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 -2.405 3.956 -4.233 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 27.460 -3.578 -5.070 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 -25.012 9.029 -2.436 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 -3.342 -1.394 0.215 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 -9.303 11.255 -2.206 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 10.527 -11.163 2.917 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 -2.203 -0.072 -0.348 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 -5.421 -0.640 8.771 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 -2.076 -2.608 -10.553 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 -4.444 4.067 -0.539 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 -3.437 -1.561 4.511 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 0.851 7.474 -1.034 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 4.911 6.172 -1.197 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 18.299 -4.516 8.583 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 -15.679 1.764 6.690 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 7.419 1.702 7.114 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 -13.845 -0.826 15.085 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 29.596 4.416 -0.094 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 -0.508 0.867 2.671 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 13.405 8.310 27.836 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 0.105 17.665 -9.247 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 -3.899 1.635 3.930 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 -5.653 1.553 2.272 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 -8.306 5.076 -10.074 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 -0.192 1.601 -7.122 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 -8.467 18.524 -0.310 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 -0.513 11.355 -9.057 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 -8.591 5.214 -3.891 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 -10.774 13.436 -22.431 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 8.271 -13.450 -8.245 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 1.005 -3.105 1.408 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 -2.193 8.933 1.520 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 -1.378 4.447 1.437 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 3.157 -0.712 -7.835 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 -2.575 -3.290 9.433 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 4.745 2.506 -17.563 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 8.182 -3.037 1.078 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 -6.801 -19.169 -1.830 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 16.319 -22.081 29.376 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 0.813 -2.123 9.077 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 -14.406 13.251 6.209 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 1.173 -7.879 2.806 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 0.285 3.892 1.695 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 -9.034 -11.218 -6.305 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 26.487 7.252 0.990 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 -0.755 -7.461 -6.900 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 -5.769 2.641 -9.482 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 -5.947 3.890 10.742 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 2.615 -1.263 0.278 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 18.952 -11.389 -24.701 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 23.518 -8.015 11.523 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 1.358 4.413 -1.384 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 8.471 -25.731 9.207 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 -26.385 -9.912 3.511 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 -5.489 -1.951 7.305 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 -6.429 -7.624 0.357 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 -19.232 4.451 16.338 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 3.012 -6.374 -1.093 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 1.573 -3.335 4.583 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 15.587 12.731 3.629 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 -0.709 -6.846 5.010 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 22.520 -8.655 -5.470 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 -8.199 19.603 2.998 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 -0.715 0.209 -4.893 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 7.211 16.535 2.642 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 -33.054 1.589 -22.730 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 3.434 5.145 6.026 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 -11.824 -8.657 1.666 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 5.803 15.434 16.575 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 -5.946 2.161 2.111 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 1.780 -4.589 -3.842 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 -25.096 11.396 13.757 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 1.649 -0.792 1.346 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 4.187 -2.229 -1.743 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 -3.851 3.852 -1.698 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 0.868 4.866 4.879 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 0.939 -4.112 9.641 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 9.710 10.319 10.171 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 1.168 2.541 -4.235 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 7.022 -1.300 14.969 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 16.721 12.962 -10.229 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 -1.604 1.183 4.886 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 -20.486 -7.229 3.633 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 12.852 12.312 0.834 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 1.807 5.652 6.352 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 10.773 -14.082 -7.608 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 -12.816 -0.717 8.917 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 6.052 -1.056 5.447 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 18.967 0.057 12.843 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 -0.868 -0.513 -0.158 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 4.830 0.243 0.827 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 7.487 5.384 10.221 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 3.303 10.563 -5.827 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 7.960 -0.525 4.641 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 15.070 29.271 1.319 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 -0.774 -35.610 8.354 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 1.723 -2.380 9.784 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 -35.435 4.916 11.342 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 11.992 2.443 5.060 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 0.231 6.771 -4.706 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 -19.801 5.446 -22.060 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 -1.786 -8.410 4.060 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 0.472 -3.481 0.055 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 8.858 -0.895 6.386 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 -3.085 2.679 3.850 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 0.890 7.228 -2.878 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 -3.855 -2.200 4.418 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 -4.628 11.700 0.261 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 4.412 2.941 3.471 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 5.094 -15.314 0.549 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 14.351 1.735 2.480 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 -1.275 0.269 -1.058 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 -0.587 -1.491 -0.075 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 1.352 1.255 -1.545 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 3.454 -4.643 3.684 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 9.144 -8.214 4.734 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 5.262 4.241 -16.941 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 0.887 -0.725 -0.917 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 9.781 2.748 5.795 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 -12.724 -3.186 21.223 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 -4.708 -5.628 -2.882 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 -8.146 9.428 -1.473 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 -4.216 -2.053 6.066 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 5.836 -4.331 0.774 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 3.552 -3.381 1.280 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 38.199 9.890 7.986 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 0.906 1.727 7.317 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 -5.862 0.901 0.953 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 2.607 -0.099 17.710 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 -0.466 2.870 4.785 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 -10.201 27.296 17.535 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 9.875 -13.888 -3.454 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 3.598 0.992 -4.040 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 2.181 8.341 -3.207 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 4.743 -1.090 -8.873 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 2.297 -0.968 0.775 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 -15.703 -10.217 5.714 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 1.702 7.278 -21.661 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 -2.630 -5.813 3.561 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 6.431 3.186 3.366 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 -1.988 -9.446 3.978 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 -2.103 2.461 2.481 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 3.312 13.111 5.014 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 2.787 0.042 -1.752 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 7.225 -1.554 0.902 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 11.452 2.595 -1.296 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 -0.093 9.212 0.108 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 0.338 -3.696 1.383 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 -11.478 -4.749 26.089 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 5.415 -8.732 -25.472 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 -0.842 -8.349 -0.663 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 3.503 0.519 -7.781 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 4.463 -10.421 -1.781 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 2.683 -8.038 -1.554 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 -5.462 -7.507 5.783 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 4.028 -6.242 -15.282 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 1.035 -2.035 -1.372 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 0.344 15.124 -3.126 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 -11.291 -7.591 -11.683 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 -2.250 1.248 2.019 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 -2.453 4.304 7.204 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 -19.178 11.229 14.489 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 2.339 -0.263 1.251 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 -3.119 3.646 -6.300 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 11.834 -9.173 -1.109 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 7.098 0.575 1.159 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 7.868 -20.887 0.361 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 -1.397 4.721 10.334 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 3.771 -1.574 -4.880 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 -10.843 -6.873 -3.754 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 -0.350 0.420 3.395 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 5.953 5.027 -6.195 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 15.041 2.123 -0.048 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 18.539 -5.963 17.249 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 -3.782 4.037 -0.754 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 -20.311 15.438 -15.851 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 -5.634 -21.666 1.200 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 -5.219 -2.419 -2.583 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 6.494 14.136 -0.366 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 -4.837 -9.740 18.191 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 -1.189 -2.272 -1.022 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 14.206 4.931 -1.051 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 -8.477 -10.848 24.025 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 -3.190 2.753 -6.189 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 36.695 -38.109 -0.244 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 2.995 -4.106 -1.407 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 1.884 -6.646 6.275 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 -25.327 8.198 -26.914 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 -8.171 -3.314 -7.004 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 -1.063 -4.497 1.637 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 -15.439 4.856 2.287 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 5.879 -0.624 5.693 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 -1.122 -0.723 2.801 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 -13.432 -18.822 10.453 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 1.568 -3.076 0.614 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 -0.341 -3.205 3.792 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 1.214 0.547 4.339 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 3.003 -12.341 5.276 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 -1.289 0.380 3.274 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 -2.631 10.235 6.124 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 -10.573 -2.428 3.360 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 5.379 2.132 -2.831 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 21.221 -14.773 -8.515 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 -4.289 19.779 38.689 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 6.456 1.260 -3.279 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 5.907 -23.404 5.180 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 1.690 5.295 -5.883 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 2.604 3.608 3.781 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 10.767 0.094 25.934 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 -22.682 -20.412 -3.204 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 -5.583 0.366 -5.012 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 -2.407 26.118 -11.010 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 6.873 1.524 16.548 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 0.452 -1.253 6.066 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 -4.453 -8.665 2.327 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 -2.223 -5.229 3.708 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 -0.564 -6.675 0.721 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 -4.218 -23.934 -2.469 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 4.395 17.768 -24.835 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 -6.492 1.293 -0.074 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 -3.013 -22.316 -6.926 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 -3.506 -10.889 -2.835 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 1.812 -0.047 -1.409 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 4.224 25.617 3.254 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 0.886 -7.517 -2.494 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 -0.580 5.651 0.834 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 3.929 1.500 -9.850 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 11.558 -7.872 -30.182 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 -3.917 -2.066 -0.356 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 4.978 14.190 12.949 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 -9.987 -29.440 -21.148 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 4.366 -3.631 -4.051 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 13.031 -1.476 7.427 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 11.686 -13.822 -6.435 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 -4.153 -0.052 10.949 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 8.334 -7.770 1.124 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 2.841 1.589 23.196 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 -3.012 0.916 5.696 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 2.062 -0.228 -3.049 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 12.823 -7.909 5.812 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 -0.109 2.554 3.236 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 -16.311 6.184 -3.879 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 12.484 0.030 8.551 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 -3.916 9.463 0.382 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 -15.378 -5.582 -9.745 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 2.718 9.921 33.709 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 -0.164 -2.692 -4.753 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 29.569 -13.358 11.765 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 9.275 5.867 4.217 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 -6.838 0.040 -0.723 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 -7.295 -5.235 -0.777 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 -8.845 -3.677 -7.000 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 -1.005 -1.886 -6.906 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 -4.976 -20.130 -18.446 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 7.321 18.670 -15.691 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 -5.468 2.438 -1.900 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 12.203 -1.275 -15.881 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 3.853 -27.423 10.908 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 7.233 0.981 -5.869 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 -25.318 3.199 12.729 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 3.152 1.682 -29.657 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 6.982 1.705 -2.414 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 -8.814 -2.925 -4.864 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 -9.339 20.117 10.807 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 0.782 -2.093 1.303 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 5.273 14.250 3.542 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 22.989 -3.434 9.995 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 -3.343 3.234 1.126 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 -24.721 -4.367 -6.341 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 -9.332 14.616 4.779 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 -5.088 1.246 -6.105 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 -1.162 -7.980 -16.556 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 -6.997 -2.923 15.343 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 2.409 0.338 -2.233 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 -13.529 -15.412 4.000 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 -3.918 -34.029 -22.486 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 -3.287 0.651 -1.826 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 -1.433 -3.194 -15.274 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 10.174 4.189 -0.095 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 0.848 -0.700 5.237 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 3.923 10.447 -9.338 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 -34.999 16.207 -6.766 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 1.283 -2.794 -3.990 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 5.117 -6.394 -7.336 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 -0.946 -7.425 3.639 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 -0.438 2.207 -0.892 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 -2.810 1.036 -7.523 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 1.434 5.210 0.384 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 1.685 -4.275 2.724 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 6.671 -4.374 3.369 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 0.850 -23.377 10.695 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 6.671 1.877 0.051 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 5.176 0.111 0.624 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 2.596 10.086 1.092 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 -3.222 -2.061 -3.669 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 5.719 -15.817 -8.557 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 -0.170 4.091 9.396 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 1.840 4.443 -0.763 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 -0.874 13.865 1.474 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 6.985 8.806 -16.784 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 3.100 -7.769 1.987 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 22.867 -8.229 9.369 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 -19.405 -2.732 13.345 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 -2.762 -1.924 -2.786 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 19.198 8.712 -2.356 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 7.927 12.957 -22.189 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 -1.877 0.208 -1.951 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 -7.027 10.666 18.451 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 -4.965 10.571 4.773 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 5.597 0.206 -1.163 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 29.510 1.425 5.687 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 2.186 -20.296 9.552 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 0.631 -2.398 -8.871 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 -15.711 -9.019 -13.250 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 -1.509 11.551 -0.373 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 -0.698 2.321 -0.847 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 -4.453 1.003 -4.453 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 2.247 -6.039 1.921 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 -5.487 -0.372 0.375 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 14.403 14.398 15.520 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 -0.117 4.156 4.657 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 -1.504 1.423 1.855 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 -3.124 6.087 -2.123 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 3.636 -14.483 -8.269 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 -2.012 0.085 2.634 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 -1.062 -0.480 2.063 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 -22.455 18.339 14.332 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 0.551 -2.481 -3.903 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 -3.829 -7.067 1.431 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 -24.478 -5.604 0.183 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 -7.189 -4.907 -3.794 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 1.523 5.432 -0.017 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 6.057 5.036 -7.757 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 -10.021 4.023 2.650 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 -12.223 15.104 -22.089 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 -1.485 5.197 5.085 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 -4.608 1.533 1.744 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 -17.252 7.869 -13.863 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 4.744 -23.347 20.348 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 6.805 4.511 -2.538 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 -1.636 1.204 -5.844 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 11.391 6.818 -7.839 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 3.945 -4.149 3.500 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 16.497 -17.096 10.741 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 -5.737 19.461 -5.023 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 1.838 5.160 -3.045 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 3.310 -1.889 -0.935 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 -11.744 33.909 -6.018 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 -1.228 -3.095 0.795 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 -1.895 -6.496 0.277 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 5.683 -5.172 -5.841 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 0.334 3.300 -4.070 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 10.373 26.899 12.404 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 21.255 4.654 -20.177 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 -2.820 -2.934 4.301 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 -14.101 10.202 -11.583 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 15.898 -21.571 25.357 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 0.552 -5.620 4.871 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 -2.832 -3.148 12.296 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 10.015 -10.138 -21.141 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 0.781 1.740 -1.051 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 1.427 1.770 8.972 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 -10.205 0.145 -5.098 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 1.261 -0.628 3.486 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 22.687 10.209 18.825 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 8.662 -9.733 -41.309 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 5.186 1.343 0.548 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 -5.245 3.218 13.751 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 23.773 13.846 -4.609 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 1.108 5.665 -0.669 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 18.660 -18.077 -1.126 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 -7.446 23.457 -1.002 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 0.019 2.528 5.640 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 4.108 -5.864 -9.322 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 5.543 -9.374 -16.058 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 -5.413 1.722 8.887 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 4.910 -1.361 3.252 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 -8.687 11.361 0.847 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 3.523 -0.044 3.515 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 14.672 6.055 -4.373 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 10.130 8.900 -7.264 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 -5.442 -4.817 -1.384 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 -10.743 -3.438 -3.850 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 -16.721 -4.877 7.053 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 1.206 -1.599 2.887 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 2.619 -2.164 1.515 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 5.410 -0.296 8.929 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 2.085 -12.474 -2.751 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 13.199 -12.374 11.755 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 23.181 -8.381 16.405 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 3.320 0.419 -5.251 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 4.248 1.082 -9.511 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 0.439 -1.657 4.102 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 -3.285 2.966 -0.850 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 12.974 -3.766 6.884 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 -12.488 1.372 -2.465 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 -1.654 2.090 0.929 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 -14.166 -0.915 6.538 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 -0.310 -12.177 -7.901 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 2.706 1.852 0.997 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 5.496 20.705 12.644 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 2.820 2.539 1.601 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 -6.363 -8.143 -0.798 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 -8.204 -17.394 19.870 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 -18.001 1.840 -4.362 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 -5.767 4.711 -5.152 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 2.957 16.006 -3.916 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 -9.023 -15.049 -7.207 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 -2.639 7.648 -6.567 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 -40.028 4.303 3.411 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 2.534 30.111 -8.286 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 0.808 -0.726 1.826 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 1.936 3.859 0.289 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 4.764 -16.519 -3.043 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 1.217 -4.454 2.997 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 -1.159 -3.793 -21.726 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 14.248 -0.673 -2.273 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 -3.030 5.848 -1.868 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 1.628 -12.362 0.522 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 -23.488 4.515 11.696 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 -4.970 -2.032 -1.906 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 -0.522 5.158 -16.695 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 -5.138 -2.861 3.089 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 -0.588 -5.625 -2.245 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 2.048 -8.322 0.906 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 11.269 -18.765 8.693 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 -1.831 2.336 -1.179 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 7.225 7.284 -15.351 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 -11.850 14.408 2.756 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 1.858 2.743 2.885 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 9.339 12.684 5.615 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 4.926 3.726 11.127 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 -0.432 -2.812 -0.740 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 15.222 -22.564 18.614 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 -3.953 -1.899 16.361 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 -0.952 -1.840 -0.960 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 -13.939 -37.191 -16.830 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 -4.125 4.838 6.692 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 6.025 -0.368 -4.423 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 6.488 0.587 -6.283 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 -8.708 4.662 -5.652 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 3.275 -2.431 1.094 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 12.545 -3.732 27.752 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 -2.099 -1.524 -14.632 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 0.881 -1.097 2.178 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 -1.564 4.899 -8.171 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 -8.656 5.087 6.797 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 0.191 -2.454 -3.768 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 19.156 -10.413 4.675 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 10.487 12.156 -21.909 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 3.758 7.586 -6.784 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 -4.611 22.755 5.311 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 19.821 8.324 3.139 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 -1.555 -4.711 -2.306 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 -7.290 -6.482 1.620 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 3.612 -3.455 -3.538 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 2.932 4.965 0.178 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 12.853 11.387 6.730 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 1.711 -11.993 -4.827 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 -1.700 -1.836 0.851 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 13.179 -18.784 9.046 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 -11.948 17.369 31.660 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 -7.583 0.307 -7.290 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 -1.952 6.667 3.652 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 -4.149 10.483 -3.493 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 -5.343 3.764 -3.474 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 -6.764 -13.228 5.727 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 -4.373 -3.169 -1.088 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 6.471 -0.383 -3.891 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 12.796 -0.595 5.896 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 -1.709 5.460 5.443 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 0.181 1.270 -2.888 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 29.676 7.226 17.252 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 -5.285 28.096 -40.053 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 -4.464 3.711 1.332 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 -4.776 -13.464 13.467 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 0.736 0.630 -12.019 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 -3.247 -4.970 -7.109 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 1.933 0.433 23.200 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 -5.126 -4.149 -8.817 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 4.885 -3.450 -3.849 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 11.124 -2.243 -6.258 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 6.742 16.564 -13.521 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 -2.018 4.990 1.929 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 -21.920 9.139 2.894 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 -11.660 -4.234 -8.908 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 5.007 -4.622 1.387 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 -14.944 10.726 -12.945 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 -4.546 0.665 -3.736 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 2.562 -3.631 2.964 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 -2.538 -4.891 3.390 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 13.337 -7.982 0.767 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 5.549 -0.217 -3.966 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 -16.899 -5.284 -1.932 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 -17.283 -3.158 -2.299 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 -2.831 4.813 -1.291 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 -1.344 -0.467 6.530 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 1.942 4.745 -2.926 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 -0.017 -0.558 -3.498 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 -6.161 3.982 -25.216 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 12.229 -11.006 -3.870 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 0.642 5.055 5.777 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 -1.678 10.209 1.139 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 -2.138 -15.279 20.594 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 -0.441 0.470 0.040 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 -23.808 4.714 13.763 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 -7.959 5.019 5.397 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 5.950 5.229 1.214 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 0.903 4.816 8.264 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 2.848 -2.387 -8.198 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 -1.278 0.234 4.985 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 8.066 7.295 11.543 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 -5.155 3.121 -4.184 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 1.436 2.920 6.990 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 -1.217 -2.720 -5.939 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 10.657 -10.042 17.464 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 -0.903 4.314 -2.803 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 2.603 -2.195 5.948 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 6.350 10.044 14.584 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 -0.922 6.917 2.601 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 3.971 6.648 0.889 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 -11.227 6.581 5.894 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 -4.325 1.315 0.495 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 -8.640 -7.444 9.731 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 -0.982 -23.391 13.590 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 0.914 -5.704 -4.136 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 4.322 -3.199 -5.693 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 -12.588 -14.468 5.612 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 -0.865 -3.563 -1.630 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 3.942 -4.008 8.024 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 -5.095 -18.459 -7.551 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 0.014 -3.987 -1.717 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 7.103 -2.103 -3.392 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 18.679 28.800 -0.468 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 -1.049 1.426 -7.700 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 -1.744 -0.145 -0.777 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 11.146 -1.372 -13.239 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 -2.580 1.100 -9.191 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 -25.912 -10.452 -16.582 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 -22.426 -20.808 -7.865 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 -5.074 -8.661 -6.933 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 -3.712 -8.272 -24.727 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 -2.223 -2.792 -0.955 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 4.555 7.564 -0.333 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 17.363 11.149 3.775 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 -4.874 1.575 -5.638 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 4.756 4.288 4.440 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 -12.117 0.966 25.313 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 17.829 -11.319 6.350 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 -4.436 1.380 -0.743 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 -5.000 -24.348 0.566 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 5.403 -0.285 -6.621 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 -7.100 -0.240 -2.778 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 -3.873 -14.498 -4.082 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 -2.425 21.165 -1.011 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 -2.706 -1.407 3.434 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 -1.119 14.432 2.151 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 -3.689 -6.506 -12.311 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 0.332 3.384 1.632 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 2.655 -0.915 -7.128 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 1.025 1.345 -3.144 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 -6.875 -2.091 3.498 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 -13.213 -10.558 11.201 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 8.444 -8.576 10.591 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 -0.353 3.447 -2.591 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 -5.731 -5.553 9.053 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 -1.363 7.137 -0.401 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 6.175 2.355 2.630 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 -4.797 -0.108 -2.272 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 16.202 -1.548 -9.106 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 -3.462 -4.092 3.047 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 -6.371 -13.995 1.853 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 0.433 -1.843 7.207 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 2.076 1.362 -2.931 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 12.098 -0.193 9.921 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 -10.077 4.755 4.711 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 -0.406 -2.066 -2.255 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 1.434 5.160 -14.468 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 -2.027 -3.459 -0.051 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 5.977 -0.894 -5.818 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 17.147 0.055 -9.382 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 -4.178 -3.357 0.811 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 6.740 -4.166 4.559 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 22.248 -0.896 10.758 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 10.297 -12.383 -9.695 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 2.081 1.983 3.795 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 -13.834 16.966 -0.734 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 6.640 -3.221 2.011 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 5.125 7.164 0.306 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 5.765 9.143 -0.609 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 5.886 -2.699 12.216 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 -4.356 -8.019 -0.573 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 -2.732 -15.759 7.791 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 0.284 0.069 -2.596 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 -4.223 4.471 2.979 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 13.806 -22.253 -21.658 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 5.130 -0.511 -4.571 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 -2.309 -0.021 4.816 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 2.343 1.185 2.838 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 -15.135 5.030 0.627 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 0.526 -0.237 -5.933 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 -0.250 9.863 -12.193 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 15.014 -6.789 -15.140 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 0.000 -3.543 -3.080 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 0.515 -14.743 -14.122 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 0.357 -12.343 -12.627 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 0.618 4.187 -6.504 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 1.634 4.301 -2.428 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 -3.605 7.958 -0.554 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 -1.626 0.445 1.700 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 -12.487 3.070 16.745 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 -9.479 25.256 -9.758 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 6.934 -1.139 -3.771 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 10.512 -4.563 23.499 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 -9.370 4.490 10.875 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 -1.011 -0.976 3.076 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 -2.643 -27.596 -27.475 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 -3.728 1.462 -18.773 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 1.288 -2.677 0.230 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 3.582 -15.965 9.097 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 8.472 -4.192 -6.468 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 0.976 1.633 -0.331 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 -1.076 17.502 -20.445 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 25.776 -13.145 -0.714 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 -4.251 3.735 1.035 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 -3.937 -7.650 -28.757 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 8.380 -17.556 15.658 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 0.332 -0.113 2.635 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 28.078 20.593 -13.146 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 -0.105 -0.379 -6.572 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 3.594 -6.052 -2.152 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 7.361 -11.536 -0.513 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 7.793 -6.373 -11.802 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 1.514 1.137 2.344 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 -1.039 6.979 10.747 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 -2.475 2.258 0.787 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 -3.629 2.370 4.951 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 3.403 -11.286 14.734 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 6.445 9.520 5.132 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 -5.161 -1.156 -4.612 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 8.680 -6.980 -1.115 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 -3.842 7.619 -16.610 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 -2.670 -9.186 -1.291 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 -7.119 -18.862 10.975 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 -11.279 -0.347 -16.778 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 -4.739 -7.210 0.855 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 -11.919 -9.297 12.455 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 15.670 -13.451 -7.968 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 0.944 -2.662 1.791 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 2.480 5.773 1.264 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 -0.686 0.986 9.596 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 5.570 0.474 1.674 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 -13.513 -15.441 2.953 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 -19.685 -21.557 -21.345 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 -6.584 -2.959 -0.243 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 -11.296 2.711 0.613 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 -3.393 -29.242 5.079 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 -6.068 3.938 0.907 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 -5.402 3.020 -2.847 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 2.579 -6.306 -28.953 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 -1.276 8.581 1.503 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 -9.088 0.987 3.948 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 6.123 23.247 2.857 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 8.468 -5.461 -3.862 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 21.125 -8.122 -4.600 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 8.901 -1.305 -3.645 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 4.893 -1.825 -0.880 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 4.472 2.174 -15.194 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 13.632 -16.626 15.241 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 1.267 2.617 -1.172 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 -2.626 -4.262 5.100 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 2.274 -8.794 10.016 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 4.622 -2.422 -2.626 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 3.192 -1.345 6.612 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 -6.108 1.576 -8.311 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 2.441 -3.121 1.108 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 -12.328 -31.585 11.384 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 0.932 -6.070 2.356 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 0.340 -4.130 2.721 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 -8.743 9.328 13.997 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 12.629 6.766 -8.838 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 6.103 -1.003 -0.330 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 -17.951 -3.023 -15.797 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 -3.385 -1.326 -7.388 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 0.164 -3.005 1.276 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 -5.899 -10.693 0.612 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 2.749 -8.540 -10.135 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 0.693 -3.433 0.531 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 -4.225 21.215 -25.647 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 -17.619 0.337 -1.759 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 -1.398 3.601 -1.246 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 -13.379 2.050 -6.105 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 -11.293 -6.420 -6.916 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 2.089 4.331 0.093 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 1.037 5.024 -1.361 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 -2.005 -0.423 -5.143 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 4.286 1.841 -2.913 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 15.872 -17.286 -13.831 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 -13.213 3.751 -12.561 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 1.737 2.314 -3.088 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 2.348 15.559 -9.042 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 33.540 -3.775 12.318 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 1.107 -6.557 -4.403 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 6.067 -16.457 12.121 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 -7.886 9.512 -21.453 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 0.990 6.465 -2.361 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 -0.515 11.546 -7.392 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 3.767 10.828 -3.802 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 2.663 0.884 -8.914 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 3.326 0.494 -7.482 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 6.674 -2.925 2.821 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 1.835 -4.286 3.803 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 8.514 -7.758 10.139 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 6.514 -7.957 -1.414 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 0.907 0.639 -1.248 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 4.004 9.541 1.678 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 -3.908 25.567 7.372 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 1.197 -6.090 0.303 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 19.874 -6.191 4.289 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 -4.453 2.344 -8.939 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 1.304 3.920 -2.306 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 14.883 16.685 15.975 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 5.673 0.873 -6.790 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 0.288 -5.942 1.250 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 -6.915 -9.168 30.516 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 10.106 -6.847 -10.693 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 6.321 1.801 0.520 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 10.745 19.121 -8.882 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 6.772 -16.500 2.955 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 0.992 0.973 -0.795 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 4.755 7.310 -19.605 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 -11.652 -17.674 -0.361 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 -1.726 -4.166 7.589 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 -16.456 24.985 3.620 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 -10.276 -13.695 -20.863 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 3.442 -0.918 1.962 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 1.901 -3.937 1.526 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 7.499 16.740 8.069 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 1.021 0.016 -2.878 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 -12.294 -13.945 20.982 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 9.052 34.444 11.195 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 1.304 -4.314 -3.424 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 -12.323 -3.584 -3.674 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 1.145 -10.045 9.622 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 -1.797 8.783 0.984 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 3.353 -18.128 -0.829 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 -7.396 26.175 18.285 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 -1.580 2.479 -0.741 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 -2.779 -5.503 -1.468 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 5.829 9.131 2.741 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 -2.277 -0.355 -2.838 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 -20.828 25.820 -6.396 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 -2.406 -14.192 -35.769 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 3.787 1.110 3.790 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 5.219 -3.473 -2.814 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 18.519 16.103 -5.935 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 1.027 -4.993 0.504 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 -8.383 -5.705 25.619 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 -0.076 -11.637 -7.978 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 1.776 -2.073 4.288 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 9.847 -1.629 -0.837 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 2.563 -2.458 4.014 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 4.097 -5.610 -3.667 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 6.998 5.905 6.845 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 -23.482 -4.633 -5.006 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 3.869 4.975 1.313 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 -0.410 2.938 -11.906 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 -5.111 -1.986 9.507 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 2.401 1.197 -5.515 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 0.830 -3.190 -1.801 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 2.119 -8.114 2.129 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 -5.244 7.559 2.934 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 10.768 7.328 24.235 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 -0.961 10.914 7.406 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 -2.719 1.988 -2.495 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 3.115 15.135 5.230 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 3.197 -0.798 -4.398 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 6.101 3.656 -0.809 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 -1.987 -3.864 -2.505 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 29.805 -13.151 -9.230 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 -3.011 -4.569 -3.425 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 0.404 3.444 5.340 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 5.580 -17.108 0.871 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 -2.405 -2.286 1.408 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 2.971 -21.648 1.145 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 -4.627 3.012 19.664 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 1.363 -0.565 -2.429 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 2.881 24.890 -12.480 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 12.260 -22.226 -3.639 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 3.149 -4.701 -4.107 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 -0.912 8.083 8.748 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 1.176 1.972 2.372 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 -0.049 4.595 2.914 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 9.484 -26.503 2.434 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 9.147 -3.014 -5.190 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 3.212 2.868 -4.708 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 19.784 20.622 20.746 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 11.452 5.259 2.361 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 -2.707 -1.533 -4.226 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 -12.155 -17.505 1.330 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 -16.122 -10.692 0.324 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 6.177 -6.601 3.888 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 2.247 -4.564 -7.451 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 -1.361 -8.863 0.586 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 -0.263 -3.193 -1.565 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 -0.759 -3.251 -2.471 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 -0.974 -4.393 -1.988 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 -4.350 1.446 2.969 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 -21.181 6.003 -5.194 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 -12.468 -6.161 -9.501 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 -0.572 5.007 -5.589 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 -11.711 11.426 -1.336 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 1.229 6.525 -3.201 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 0.238 0.065 5.484 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 -2.141 12.079 5.534 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 1.396 -4.745 5.863 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 5.028 3.330 3.953 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 -6.692 3.855 -10.029 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 3.035 17.960 7.117 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 1.412 -3.639 -1.712 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 5.579 -14.846 -6.851 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 -1.960 9.518 3.473 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 2.008 0.459 2.245 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 6.867 -3.856 -6.889 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 -12.429 -6.367 8.567 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 2.943 1.629 -0.314 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 -1.958 9.846 -2.613 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 -15.749 -9.799 8.760 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 -3.521 -0.210 2.796 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 3.797 11.151 7.457 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 -8.290 9.174 8.738 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 -6.217 -9.021 1.116 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 12.513 3.866 11.695 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 -13.460 15.576 -8.796 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 -0.889 -4.044 2.457 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 19.778 -8.651 11.678 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 3.838 22.399 -2.600 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 2.810 -3.445 0.033 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 1.580 -5.643 -3.222 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 4.276 4.557 5.038 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 2.146 -5.420 0.880 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 7.870 -19.531 12.922 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 9.214 -0.049 -3.176 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 -0.379 1.753 -0.987 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 -12.610 -15.849 -25.540 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 16.368 2.739 -39.914 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 -2.985 4.334 9.444 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 -10.250 -13.508 19.680 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 -27.242 -24.725 -5.206 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 -5.828 -2.538 1.334 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 3.114 -3.335 -0.663 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 -9.128 -8.763 -10.374 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 4.274 -7.020 -5.278 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 0.168 -9.814 11.564 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 -5.773 -1.417 -11.377 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 -5.766 3.149 0.490 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 0.341 9.230 -7.534 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 -2.694 1.897 0.111 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 -2.297 3.815 4.399 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 0.279 0.101 0.844 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 3.178 -4.684 5.499 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 -9.752 3.391 -3.194 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 10.095 -5.961 -4.820 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 -19.684 3.843 7.429 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 -7.380 -1.195 5.737 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 11.249 10.109 0.763 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 -15.821 -8.863 3.591 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 4.702 2.472 3.525 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 -15.616 3.418 -29.163 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 26.590 -7.501 36.389 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 1.147 -3.709 1.308 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 5.803 9.168 1.331 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 -3.842 -23.060 -2.509 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 0.702 -3.963 -2.120 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 -18.534 -4.377 25.224 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 7.773 -40.545 -6.393 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 1.313 3.085 0.187 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 -4.030 -4.643 -1.650 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 1.038 4.440 1.231 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 -3.185 -3.185 4.967 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 -11.282 -8.839 2.591 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 3.754 0.750 -0.197 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 -0.564 -0.929 -1.816 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 7.868 -0.286 -1.012 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 -3.849 7.990 -4.164 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 0.202 -9.266 3.000 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 9.506 4.896 -14.997 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 -0.939 6.058 22.386 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 -1.238 3.555 2.675 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 29.978 8.748 4.490 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 -7.120 12.196 -8.509 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 0.303 3.070 -3.618 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 -2.791 -28.722 -9.004 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 -21.762 7.676 -9.238 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 -5.147 0.196 2.035 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 2.916 6.710 6.318 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 -14.958 2.610 7.155 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 -1.018 -2.897 -2.279 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 -7.777 5.219 3.230 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 7.247 0.376 -8.033 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 1.905 -8.415 -1.470 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 -13.368 23.457 7.173 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 -10.270 10.847 -10.733 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 2.946 4.119 3.390 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 21.286 -23.479 5.030 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 -0.905 -11.371 36.350 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 5.331 -5.830 0.393 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 4.366 -4.406 3.988 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 -11.538 13.835 17.785 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 2.724 -3.848 4.892 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 -9.223 15.995 -13.711 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 -4.115 3.000 -1.037 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 -0.929 -1.907 0.599 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 -0.010 -8.934 -4.418 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 -3.475 -3.470 4.603 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 4.698 3.849 8.274 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 -0.405 7.855 6.313 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 -2.430 -15.266 11.747 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 3.673 -1.083 1.101 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 -1.086 14.042 3.182 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 6.316 5.648 0.248 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 -7.411 4.544 -7.656 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 -8.933 -4.728 -2.760 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 -3.461 5.341 -2.237 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 -5.069 -1.316 1.192 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 0.021 2.884 18.113 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 -15.583 -21.454 -3.511 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 2.690 -6.779 1.590 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 -16.320 -9.455 8.962 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 -1.706 1.925 -3.791 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 -3.843 -3.907 -3.937 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 10.179 6.267 -6.196 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 4.572 -11.150 7.372 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 4.198 0.926 6.959 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 6.777 3.270 3.700 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 -17.921 -19.151 -3.907 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 2.127 -6.807 0.864 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 9.107 20.843 -13.382 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 -23.733 -3.756 16.167 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 -0.561 -4.110 2.488 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 7.950 -16.527 -14.667 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 12.471 1.940 9.643 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 0.939 -2.717 1.963 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 -6.078 20.907 -4.923 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 1.872 13.097 15.651 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 -2.289 0.660 -3.708 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 6.328 12.156 0.430 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 4.043 -7.990 -5.586 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 2.687 -0.613 5.007 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 -2.160 -8.273 0.324 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 -11.009 18.351 20.673 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 3.384 -4.730 0.116 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 -27.836 35.171 22.135 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 23.432 3.024 -13.736 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 -2.808 0.351 10.580 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 -13.490 -18.081 -11.279 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 15.686 -4.210 18.406 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 -2.576 8.224 -0.871 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 -14.456 -7.330 -5.725 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 0.307 10.713 -7.562 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 0.886 -1.863 2.232 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 -8.874 -10.003 10.712 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 -8.116 8.155 -6.236 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 -1.497 -2.385 3.844 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 -4.726 -14.352 5.442 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 8.705 -18.746 -12.906 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 -1.892 -0.379 1.003 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 -4.001 15.986 20.244 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 -1.589 -3.775 -2.380 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 0.711 -1.079 6.658 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 3.575 -6.412 17.052 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 -1.201 2.373 -0.846 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 -1.025 -0.239 -4.052 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 4.041 -0.932 0.914 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 -9.628 -4.824 -15.087 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 -6.059 1.259 0.498 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 4.325 -1.741 -9.797 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 2.000 -6.505 -15.559 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 -4.181 -3.023 -3.560 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 -2.391 7.446 -1.056 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 -2.364 4.496 -0.665 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 3.493 -0.516 2.033 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 -17.906 -5.035 -4.624 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 12.311 -20.489 -16.117 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 5.347 -1.907 2.216 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 -2.484 -1.721 7.010 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 3.748 18.007 -19.056 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 3.116 -0.501 4.964 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 -12.876 -0.668 24.530 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 -11.050 -6.311 -14.922 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 -3.187 -2.260 -1.796 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 0.018 0.485 -15.508 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 -3.705 -18.654 0.026 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 2.974 -2.880 -1.862 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 7.714 -1.853 1.846 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 1.578 -5.315 1.954 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 -5.729 -3.180 -2.150 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 4.374 1.518 -12.270 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 -25.590 -0.324 -11.068 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 -1.291 0.215 3.848 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 6.424 6.901 2.418 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 -7.840 5.621 8.247 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 1.337 -8.640 3.429 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 -6.778 10.660 -18.711 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 11.437 2.957 -0.019 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 1.373 1.675 0.637 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 -12.818 -7.748 13.034 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 22.469 1.393 10.568 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 -0.232 5.652 -7.613 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 4.044 -33.170 26.928 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 -6.026 12.281 6.351 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 -0.085 0.729 3.150 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 11.385 31.150 -19.939 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 9.716 20.502 5.669 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 4.019 1.415 0.328 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 -1.152 2.074 4.213 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 8.648 4.138 11.741 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 0.201 -2.033 -4.549 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 12.911 -28.337 20.095 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 -8.050 10.037 -16.035 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 -0.335 -2.624 4.653 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 2.780 13.384 -8.729 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 1.500 6.313 -4.018 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 -4.680 1.788 1.176 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 -4.892 4.002 1.526 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 -4.229 -1.082 3.711 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 0.695 1.517 0.404 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 -11.043 -5.503 6.989 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 -6.822 9.062 -14.972 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 4.038 -1.614 -3.036 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 -5.647 -5.105 -5.392 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 20.074 -2.561 -9.811 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 3.320 5.182 4.717 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 -16.755 4.380 -3.392 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 13.265 -15.122 -2.189 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 -5.478 -0.604 0.277 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 -0.041 10.410 -5.328 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 -10.838 4.129 6.550 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 3.180 -6.782 -7.655 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 7.786 -10.763 -11.783 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 -13.916 -2.962 -21.418 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 -2.399 0.957 -7.046 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 4.052 0.973 -26.816 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 0.640 -5.508 -1.550 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 1.579 -0.034 9.244 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 -14.800 -18.411 -20.343 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 7.104 1.055 18.028 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 0.003 -0.860 -0.207 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 -3.635 -4.337 3.942 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 -10.559 11.309 -18.561 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 4.044 1.530 3.057 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 4.981 -2.196 -8.382 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 -12.890 -7.146 14.353 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 4.757 5.505 8.705 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 0.859 6.389 -2.926 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 27.262 26.730 14.325 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 -1.461 5.004 -5.272 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 -0.971 10.723 -15.034 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 -7.637 5.536 13.891 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 1.197 -2.307 -6.786 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 14.940 19.077 -15.875 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 0.530 -10.304 7.372 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 3.729 2.060 0.463 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 12.997 -6.753 -1.094 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 -12.454 22.850 5.681 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 0.258 -2.403 -3.735 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 -12.371 -10.081 -0.556 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 -4.015 4.137 0.930 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 2.193 -4.952 -2.066 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 -2.846 -5.929 -6.478 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 6.474 18.299 -4.322 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 2.392 -4.128 0.102 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 7.689 -24.585 4.430 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 14.104 25.366 -16.010 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 2.404 -2.288 -0.954 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 -11.151 1.815 3.668 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 5.527 -14.718 -12.700 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 -5.770 -2.255 -0.086 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 1.621 15.800 4.957 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 -8.204 -4.109 0.542 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 -6.000 2.980 -4.810 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 -11.784 3.252 -6.215 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 5.353 8.498 12.943 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 -5.970 -6.112 3.169 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 3.581 -15.023 2.792 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 -16.191 2.635 6.741 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 3.038 -6.823 1.563 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 9.575 -5.487 -7.524 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 15.499 -10.404 -16.303 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 -3.318 4.376 -1.073 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 -1.593 -9.055 14.411 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 1.676 -20.389 3.066 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 -1.666 -1.916 0.519 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 2.265 -7.646 -6.142 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 -3.850 -5.010 5.609 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 -1.947 3.292 -0.190 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 23.189 -10.619 0.297 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 -5.069 -3.795 -10.661 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 -1.522 1.872 -1.621 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 9.529 11.581 -14.784 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 5.591 10.664 12.448 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 -0.397 -4.996 0.806 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 -3.637 -0.351 -1.084 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 -3.377 -5.733 1.735 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 1.961 3.685 -1.420 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 -5.661 14.150 11.194 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 5.146 -14.072 -12.089 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 7.719 -0.183 1.458 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 10.323 5.408 0.632 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 -1.354 7.238 -5.714 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 2.335 -4.141 3.383 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 -29.887 26.263 -14.322 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 5.370 26.243 -12.751 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 -7.453 -2.489 0.663 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 -1.081 5.512 -8.264 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 4.387 -5.582 0.591 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 0.943 -2.833 -4.724 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 13.004 -13.267 0.262 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 3.174 -15.231 9.582 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 2.102 -1.204 -5.224 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 0.990 -12.684 9.160 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 -0.283 -5.609 8.299 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 3.405 3.320 7.694 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 2.081 -2.354 7.026 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 21.743 3.230 -14.422 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 2.670 3.300 0.080 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 -10.129 -2.679 -4.686 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 -0.710 13.092 10.472 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 -6.514 3.026 3.770 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 -12.202 1.870 13.874 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 -12.094 -4.876 -0.610 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 -2.517 0.653 2.916 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 -18.167 -1.259 0.796 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 -1.198 0.530 3.211 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 -2.917 -3.228 -1.180 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 -6.418 -2.347 -21.582 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 -3.604 7.803 2.424 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 1.452 -1.440 2.100 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 -17.245 -0.263 0.063 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 7.512 4.879 14.879 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 7.632 -1.399 -2.322 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 16.004 -17.639 -14.266 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 1.059 2.988 -2.698 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 2.666 2.111 -2.496 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 2.057 2.067 14.246 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 15.824 3.449 -15.958 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 -0.214 -1.805 0.467 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 -1.393 7.469 -6.746 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 3.602 -18.649 13.257 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 1.216 5.504 1.421 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 19.066 10.844 17.423 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 1.127 -9.745 -4.971 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 0.241 1.059 3.731 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 -1.606 -17.659 3.949 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 -0.231 -12.892 5.661 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 -3.358 2.973 0.061 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 -7.157 -14.818 -11.433 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 -3.062 4.573 3.630 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 -1.962 -4.149 -2.946 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 -7.126 -6.357 1.330 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 21.970 -7.468 -1.347 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 1.925 4.317 2.979 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 -3.080 3.432 8.214 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 9.995 4.934 8.045 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 0.475 -1.630 -0.905 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 3.711 14.904 16.241 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 6.709 -9.247 1.916 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 3.230 -3.719 7.193 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 -15.371 7.153 2.661 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 -5.264 3.559 4.564 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 -0.059 0.906 -2.311 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 -1.934 -2.203 -2.925 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 -1.855 4.994 6.235 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 -3.172 -4.331 -0.328 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 -1.552 3.995 -2.008 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 22.350 -26.539 10.452 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 9.147 -5.156 2.794 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 -0.568 -10.785 2.545 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 -17.276 3.880 1.636 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 -2.877 -4.046 -5.666 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 21.387 8.129 -6.679 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 6.027 -9.210 20.524 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 3.084 3.292 -4.318 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 7.153 -2.793 -4.909 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 7.158 12.940 -2.455 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 -1.838 -6.808 8.343 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 -12.711 8.725 11.165 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 -12.541 -20.889 31.733 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 -0.390 -1.544 0.178 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 17.135 -7.838 -8.465 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 -2.538 -9.772 7.022 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 -1.807 6.414 -1.375 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 -2.032 -0.843 -0.630 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 4.019 8.158 -2.737 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 -0.787 1.567 0.770 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 4.487 -0.478 -10.776 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 2.674 15.247 -8.354 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 -1.309 3.935 3.953 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 -5.852 -1.537 4.578 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 -11.718 24.500 14.997 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 3.850 3.809 -2.727 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 22.726 -6.650 7.339 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 15.390 7.439 -4.231 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 -2.594 6.968 1.255 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 -5.607 7.244 1.366 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 13.453 -9.340 -1.099 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 -2.052 2.538 -8.681 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 -17.773 -5.264 -14.014 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 21.697 3.942 -2.692 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 -6.691 -1.735 0.567 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 -14.215 -28.858 -18.446 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 -6.088 -1.296 3.533 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 1.367 2.370 4.520 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 11.171 -4.922 -22.755 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 16.715 -4.401 -12.434 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 7.840 4.995 -7.966 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 8.609 -13.818 -14.000 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 -9.005 -2.725 -14.611 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 2.238 4.719 -0.316 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 -1.094 2.084 -6.326 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 5.071 -0.805 3.098 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 -0.563 0.876 1.701 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 17.076 0.441 21.647 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 -10.102 -5.360 -7.432 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 -1.739 4.140 1.795 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 13.269 11.092 7.244 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 -1.022 -8.765 -0.069 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 -3.683 -3.189 -2.580 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 -5.027 7.065 0.752 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 -7.721 9.807 -12.755 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 1.558 -1.670 2.225 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 5.115 -4.197 -3.852 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 -8.293 2.868 13.485 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 -0.052 -0.896 6.139 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 -2.565 2.360 4.257 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 9.909 -18.740 -0.575 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 3.183 -1.942 1.251 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 -11.615 0.739 7.852 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 2.320 0.120 1.518 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 -0.553 2.642 -2.633 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 22.082 12.924 29.771 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 10.293 3.073 -32.638 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 -1.838 -1.497 -2.017 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 -2.004 22.071 -2.325 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 -4.582 18.989 -3.826 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 -1.549 -1.854 -2.273 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 -14.913 -16.049 11.990 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 16.729 6.774 9.102 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 -1.263 1.360 2.749 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 -2.564 4.034 5.319 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 5.575 -2.183 11.765 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 -1.557 -4.023 1.174 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 20.665 -30.202 -26.244 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 4.301 27.193 -20.877 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 9.816 3.906 2.705 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 -8.742 0.067 0.270 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 4.159 -13.231 7.459 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 -4.380 -2.581 2.113 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 0.180 -2.036 30.911 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 8.244 -24.165 11.532 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 -0.128 -4.460 8.521 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 0.207 11.391 -2.523 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 1.270 -22.464 21.658 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 -3.517 -1.360 -8.839 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 -9.378 -12.996 -10.394 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 7.938 -39.371 13.662 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 2.895 -4.947 -8.607 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 -0.870 -0.103 -5.383 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 -2.880 -12.461 -14.136 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 4.196 -5.555 -5.358 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 21.483 -3.570 10.234 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 3.173 13.750 -16.830 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 4.219 1.336 -5.689 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 6.631 9.501 11.875 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 2.171 -17.265 -9.654 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 -4.257 -11.613 1.567 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 5.694 -5.125 -10.071 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 -10.250 1.694 9.244 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 -2.470 -3.106 -0.532 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 -13.001 -4.370 10.382 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 0.386 -1.234 0.111 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 4.313 -6.384 -6.061 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 8.908 -17.479 10.464 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 8.151 -4.277 -6.784 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 -0.189 3.957 1.780 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 6.344 -9.682 4.179 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 0.752 0.247 0.895 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 -4.969 0.357 -5.426 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 4.705 -4.497 1.614 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 -16.028 1.447 21.313 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 -2.320 -2.047 -0.982 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 14.513 -18.830 3.619 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 0.233 14.264 0.302 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 -0.058 -0.734 -0.407 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 -17.693 3.868 2.827 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 -23.840 8.151 5.523 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 -3.241 -1.428 1.434 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 -1.048 -0.154 1.340 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 -10.563 -5.015 -0.273 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 -2.312 -2.843 -0.945 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 2.887 -3.457 -25.718 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 -1.875 2.149 -1.120 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 -2.479 -0.122 -3.112 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 -0.953 -1.189 10.024 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 -11.917 -12.526 -2.865 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 -3.288 -1.109 2.086 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 1.270 0.429 -25.180 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 -17.892 -0.303 -2.274 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 -4.593 1.629 9.257 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 -12.442 -15.736 -0.211 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 -7.855 -8.173 4.292 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 7.432 0.440 2.517 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 -4.342 16.326 -8.987 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 8.087 -6.318 4.989 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 4.475 -3.446 2.568 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 6.137 14.032 -6.159 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 2.840 -17.570 9.785 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 -0.517 -0.159 2.779 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 -4.966 -10.569 6.780 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 2.748 13.008 21.402 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 1.466 -2.753 4.358 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 4.760 1.378 9.453 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 3.814 3.442 7.575 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 10.241 -7.811 -0.974 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 23.535 3.468 -22.702 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 -21.406 -4.010 18.976 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 5.456 -0.807 5.990 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 0.461 -10.542 18.433 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 1.822 14.586 12.760 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 -2.458 -1.808 1.230 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 -3.467 30.935 11.624 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 -3.227 -30.483 0.104 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 8.495 3.319 7.146 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 -25.383 -4.160 3.907 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 -13.527 18.234 -28.048 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 5.479 -2.557 -5.941 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 -1.703 5.514 -0.828 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 -14.138 15.756 23.814 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 -3.230 -1.246 -4.045 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 -2.263 -10.171 -2.056 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 11.932 15.360 -11.174 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 -4.126 -3.054 1.724 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 12.308 -16.008 0.124 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 -2.369 -0.962 -3.215 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 2.282 1.992 -0.441 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 23.793 20.676 3.513 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 22.061 -4.731 -10.086 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 -3.911 -5.468 2.389 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 -21.380 6.579 -2.273 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 10.675 -11.404 6.040 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 -0.606 -4.949 0.594 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 0.465 -0.676 3.485 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 8.056 -14.301 -3.672 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 1.790 6.345 -4.007 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 -0.665 3.285 0.403 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 3.290 -16.091 13.102 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 0.598 -8.968 -6.546 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 -26.411 -16.497 -7.374 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 0.131 18.575 -1.611 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 1.793 4.777 -3.271 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 -8.779 11.375 11.854 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 -9.171 -6.136 -11.445 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 1.605 -3.157 9.888 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 1.133 -0.803 3.687 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 8.206 -0.516 -10.367 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 1.664 4.882 -14.373 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 8.658 7.489 0.996 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 -9.923 9.608 10.555 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 -3.639 0.295 -1.755 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 -49.561 -12.017 -14.008 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 11.091 12.071 0.728 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 0.071 -3.357 1.164 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 5.224 4.491 18.890 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 -2.998 -3.946 -9.975 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 -8.500 -1.772 -3.072 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 2.379 -7.999 3.720 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 -11.450 -9.174 6.580 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 -3.611 0.646 -0.187 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 0.074 -12.203 -6.039 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 14.895 2.264 7.111 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 -0.291 -1.247 0.576 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 -19.599 14.604 26.033 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 13.288 4.423 1.074 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 6.233 -1.628 -4.451 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 4.553 34.683 -6.587 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 5.813 22.323 -6.753 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 -1.030 -2.258 -1.124 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 4.114 -20.844 -3.024 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 -10.949 -2.138 15.480 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 2.237 -1.603 3.363 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 -4.308 -14.223 -0.229 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 -10.602 -2.004 8.841 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 -0.062 -0.691 1.782 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 12.610 14.778 14.062 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 -9.201 15.294 10.083 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 1.845 4.191 -0.578 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 2.708 8.134 3.301 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 1.782 6.055 -0.320 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 -4.827 -2.439 -0.370 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 15.869 -4.167 8.316 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 -10.498 -21.342 8.300 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 0.689 -3.687 0.231 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 7.944 13.820 7.921 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 6.469 9.627 5.984 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 -7.372 -0.814 -3.535 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 -16.251 -9.450 12.065 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 -2.941 -12.696 -2.696 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 7.145 1.395 0.002 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 -16.652 -10.082 -7.435 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 -29.174 12.681 -0.411 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 -1.720 -0.229 7.274 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 -13.741 -11.821 -19.218 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 -7.771 -16.580 -1.533 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 0.472 4.226 -2.499 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 -14.078 7.344 -24.956 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 -0.578 30.757 5.039 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 -9.415 -10.488 -2.122 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 -24.503 18.572 -17.733 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 8.902 12.538 20.313 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 -1.962 1.884 2.703 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 16.756 -22.448 -1.326 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 -15.123 -7.587 21.692 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 4.185 -3.454 1.236 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 7.407 -4.024 -2.146 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 0.041 -5.377 -3.490 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 8.265 -7.316 -3.765 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 9.071 -3.224 -8.877 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 2.658 -16.654 -8.755 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 2.024 -1.367 -3.201 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 -1.346 4.951 -7.961 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 3.670 -3.024 -5.433 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 -3.823 -0.392 0.118 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 -0.196 9.783 -8.117 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 4.293 -5.528 1.052 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 2.774 3.638 -3.922 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 7.750 -27.905 -7.478 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 23.609 1.581 30.364 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 0.124 0.127 4.557 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 -9.009 -14.292 -17.862 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 6.141 10.838 6.430 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 -2.288 5.641 -5.764 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 -7.678 2.357 3.041 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 6.204 15.925 3.858 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 0.141 -3.743 1.816 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 1.605 -4.945 0.937 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 -1.433 -1.669 3.157 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 4.187 2.946 1.389 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 2.737 2.243 -2.170 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 17.154 -6.803 3.753 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 0.190 -2.968 2.181 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 1.199 7.775 -2.430 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 -6.523 2.969 2.578 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 -1.433 4.588 -2.690 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 -0.288 7.906 -6.663 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 -6.142 10.585 1.670 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 -2.658 3.833 0.171 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 -2.726 2.385 -2.317 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 -2.288 2.563 -0.463 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 -3.955 0.326 -4.277 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 -5.738 -2.074 -9.138 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 -3.766 -1.831 -0.482 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 -4.343 -2.239 4.027 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 6.926 -0.757 6.575 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 -12.907 -1.369 17.244 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 -5.076 3.347 8.393 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 -12.014 -25.872 6.437 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 9.939 18.712 14.466 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 2.775 -2.248 1.370 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 3.922 -8.959 -0.536 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 -1.695 -3.158 6.592 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 6.719 1.551 4.948 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 -2.490 24.687 -17.817 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 3.957 -14.865 2.984 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 -0.976 -4.358 3.604 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 -27.952 -3.375 -9.430 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 12.543 -5.037 9.631 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 0.834 1.962 -4.803 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 -15.287 16.804 16.843 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 -0.546 17.143 8.380 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 2.547 3.636 -8.473 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 -11.780 15.105 5.443 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 -10.784 -17.155 18.027 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 0.120 4.089 -0.761 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 20.345 3.914 -27.678 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 0.706 9.129 2.119 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 -0.331 5.817 4.022 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 10.677 22.219 -6.818 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 -12.157 -0.119 -5.000 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 2.381 -1.072 3.326 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 1.711 8.970 15.039 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 15.836 -13.989 5.384 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 0.702 -3.533 -1.227 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 0.296 -2.604 -3.351 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 -1.208 3.891 -11.425 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 -2.461 2.402 1.920 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 -10.990 -5.761 6.590 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 13.345 -8.216 1.761 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 2.408 -0.150 -0.285 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 3.063 6.263 8.990 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 7.415 -11.327 0.940 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 -5.647 -1.889 -4.359 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 -9.904 -9.149 -7.950 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 -7.801 -15.341 6.750 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 0.070 1.446 -1.215 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 -2.326 0.496 -3.841 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 1.473 8.860 -4.957 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 6.174 0.569 6.053 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 -5.881 -4.258 5.019 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 -3.949 -12.744 -8.135 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 -2.268 -5.166 -1.460 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 -7.065 -0.614 -1.982 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 -26.908 24.006 9.291 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 1.250 2.074 2.588 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 9.447 -16.628 12.016 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 -19.411 5.082 -5.580 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 4.901 -2.607 0.946 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 -25.572 7.779 9.389 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 -13.614 2.488 13.734 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 -6.367 5.620 -1.543 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 -17.067 -1.911 13.192 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 31.478 14.625 -21.686 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 2.406 -4.483 0.918 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 10.131 -0.857 5.396 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 5.633 -4.745 -2.549 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 -2.391 6.985 -4.512 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 6.166 7.458 -5.147 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 3.751 7.889 -4.544 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 -8.068 -3.268 -6.810 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 7.610 18.985 24.675 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 -9.647 -2.278 -16.199 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 3.828 0.966 -4.821 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 -10.834 19.088 -12.818 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 -8.628 -10.124 9.477 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 -4.111 5.619 2.799 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 7.115 5.586 -7.378 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 -20.067 32.394 -4.453 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 2.869 0.033 -2.533 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 10.238 -2.800 -16.758 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 6.920 -13.048 7.349 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 -2.283 1.025 -1.096 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 -1.128 -12.790 10.919 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 -3.577 -5.209 -14.724 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 -3.084 2.497 3.716 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 -19.276 -6.700 -7.221 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 9.858 -15.335 12.179 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 2.900 4.704 1.582 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 21.964 18.143 -17.415 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 9.641 13.336 -8.179 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 -1.515 1.294 -1.315 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 -20.820 0.918 -8.373 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 -17.378 9.178 -23.504 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 -2.945 0.246 1.398 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 -3.665 13.103 17.690 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 -32.375 4.945 -30.827 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 -0.798 0.938 2.816 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 -3.176 9.123 11.560 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 19.532 1.576 6.237 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 -2.322 5.048 -0.365 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 -9.191 4.403 1.401 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 -9.463 2.792 -0.865 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 4.638 3.856 0.095 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 9.740 -18.622 -20.396 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 3.091 12.275 6.981 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 -0.083 0.333 8.561 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 6.229 31.756 -2.464 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 -0.083 -24.142 -13.787 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 -4.631 4.049 -0.620 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 -13.561 5.978 -0.256 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 -2.354 7.637 -8.438 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 -1.684 -8.969 0.177 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 -13.894 4.145 27.791 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 5.283 8.591 -5.514 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 0.173 0.633 -0.952 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 -2.666 -14.419 20.480 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 4.101 9.964 -10.926 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 1.487 6.197 0.711 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 13.324 10.111 13.840 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 -10.723 4.373 12.124 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 6.619 -2.181 3.014 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 0.635 -2.324 -1.535 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 5.649 -12.015 6.767 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 5.253 0.724 -4.221 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 8.541 19.323 -1.138 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 8.384 2.148 5.429 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 -2.559 14.924 5.657 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 -6.814 33.072 27.608 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 4.194 -5.570 -9.706 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 3.322 3.293 -5.410 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 -1.836 -1.018 -8.227 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 -1.659 -2.561 -9.753 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 0.573 -4.512 -0.195 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 10.877 5.940 -5.312 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 -13.084 0.955 -6.314 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 -6.418 1.547 1.611 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 -5.621 15.775 -19.905 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 6.351 -19.884 -6.845 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 0.691 0.931 1.253 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 20.614 -7.859 0.340 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 -5.004 8.006 4.112 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 -2.582 0.481 -6.706 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 -37.053 -5.664 54.619 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 -10.910 -2.095 11.018 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 5.459 3.057 -1.643 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 2.688 8.130 -1.099 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 3.730 7.251 -1.280 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 -2.200 -0.886 0.227 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 -19.462 6.529 -23.396 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 21.789 12.967 3.940 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 -2.691 -3.499 0.762 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 -5.198 18.089 -9.418 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 -34.608 10.602 5.450 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 -4.709 -4.731 -1.144 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 -15.954 -3.180 -14.203 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 -14.343 1.179 -9.489 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 -4.113 -3.754 0.936 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 -1.509 16.996 -13.646 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 3.140 -17.205 -10.438 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 -1.643 2.300 6.256 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 -3.876 1.533 -0.670 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 2.418 -2.158 5.901 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 -3.920 -3.600 0.432 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 -6.490 -2.906 -0.090 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 1.624 -5.074 1.647 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 -2.853 -7.463 2.232 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 12.616 8.189 -1.868 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 -24.143 2.588 -2.189 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 0.715 -7.973 -0.421 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 18.492 -21.538 1.094 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 12.649 -1.233 -0.381 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 -0.434 -5.796 1.915 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 12.846 13.450 13.152 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 14.802 1.119 0.746 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 0.078 2.015 -1.036 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 -2.632 -7.769 -8.408 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 7.770 1.911 7.951 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 7.504 -1.293 3.247 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 -8.182 -0.276 10.074 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 -10.017 -12.648 1.596 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 -3.188 2.986 0.069 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 2.835 -3.880 12.906 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 7.845 15.277 -1.540 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 1.273 6.261 -7.003 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 4.981 1.428 -12.171 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 16.216 -5.598 3.687 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 -1.654 1.826 3.452 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 -14.232 9.303 -4.856 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 11.407 13.289 7.745 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 6.028 -1.754 -1.007 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 -16.748 10.413 11.155 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 14.426 11.073 -9.523 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 0.355 1.710 -2.201 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 11.609 3.328 -2.940 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 14.924 -6.011 7.490 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 -3.595 1.263 -12.280 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 24.795 -12.571 12.303 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 10.672 6.227 20.281 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 -6.759 1.607 -2.381 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 4.803 -10.467 1.459 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 -5.210 2.318 1.373 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 1.089 5.340 -0.301 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 -4.506 12.471 0.741 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 12.866 3.239 6.517 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 -1.586 -2.277 0.994 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 13.846 1.545 -1.214 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 3.583 0.292 1.273 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 0.452 5.968 -9.370 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 12.302 12.592 -5.328 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 13.186 -2.492 -2.739 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 3.696 -0.974 0.791 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 4.183 2.293 1.983 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 -6.981 15.644 13.599 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 -0.857 -4.543 7.277 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 2.891 3.870 0.478 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 12.428 11.539 2.552 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 3.185 0.713 3.412 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 22.056 21.364 -5.056 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 2.570 -13.693 -0.686 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 -4.895 -6.917 -2.512 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 -10.428 -2.076 5.951 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 -17.819 3.873 17.099 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 4.812 1.971 4.542 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 1.570 -2.217 2.049 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 8.631 -1.371 -8.339 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 -0.659 5.990 -1.296 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 -2.789 -8.056 5.313 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 14.758 8.809 1.136 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 -1.483 -7.182 5.027 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 -9.867 -14.060 5.528 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 -0.680 -1.247 -4.043 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 2.344 3.708 -4.858 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 3.026 -3.998 -12.144 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 -15.317 -3.342 -21.775 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 0.014 -6.508 4.524 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 -15.070 -15.581 8.735 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 2.479 -3.946 17.570 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 -3.318 0.530 3.160 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 -1.959 -5.068 3.080 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 6.020 11.189 -0.638 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 4.872 0.707 5.119 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 -4.858 3.565 -6.278 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 19.091 -2.643 28.909 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 -1.248 2.953 -0.033 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 20.232 -13.053 -5.835 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 -19.119 -9.654 2.190 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 -5.446 -3.144 -2.842 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 -5.263 -3.421 -3.977 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 3.061 -7.997 -12.169 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 -5.100 -3.280 0.125 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 -6.337 -8.793 2.740 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 -23.312 -0.603 29.078 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 6.470 -5.379 10.741 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 8.912 -8.540 9.829 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 -7.566 -34.677 -7.939 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 -3.819 7.842 0.498 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 9.860 5.746 13.591 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 16.887 1.077 14.256 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 8.457 2.121 1.699 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 -4.528 -6.545 -7.030 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 14.733 -9.486 15.648 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 -0.256 4.040 2.894 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 3.954 16.811 11.833 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 -14.890 6.639 -6.400 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 4.923 -6.458 -1.891 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 -3.429 -4.211 4.899 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 12.293 -4.756 7.218 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 -1.540 -2.202 0.466 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 8.561 -0.579 14.629 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 9.740 28.444 -7.197 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 1.300 4.011 -3.488 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 16.403 -7.924 6.969 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 2.472 29.666 -9.223 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 3.628 3.567 4.727 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 -2.071 -16.828 -11.593 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 3.309 12.579 -4.989 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 -0.896 -0.307 -2.350 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 -9.366 32.724 -11.212 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 1.156 -1.376 -1.680 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 -0.650 -10.316 2.438 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 4.495 4.469 -17.056 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 -8.402 3.930 14.221 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 -4.875 4.704 -1.908 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 -3.646 5.865 7.948 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 -8.226 3.996 -5.398 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 -4.514 -1.759 4.024 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 1.775 8.309 5.357 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 4.100 -13.877 0.534 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 -4.859 0.745 0.157 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 3.449 -3.193 2.667 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 0.694 -2.941 1.494 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 -2.811 -2.086 1.897 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 -2.293 -10.155 -2.201 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 -2.026 -10.731 -3.659 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 4.565 -0.375 -3.143 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 -45.303 -3.271 -17.654 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 0.125 -13.004 -11.022 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 -2.791 10.745 -5.870 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 -26.648 -2.070 6.794 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 4.322 9.280 1.910 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 -10.971 3.814 2.423 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 -16.078 -23.929 -2.654 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 17.252 10.104 -5.591 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 -5.901 -4.955 4.679 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 -13.827 -17.592 -28.807 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 -34.373 -21.067 12.820 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 -3.310 8.367 0.803 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 7.042 0.825 1.594 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 -7.641 16.279 12.600 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 -0.336 4.961 3.622 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 -7.616 3.868 8.248 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 -1.305 15.819 -5.541 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 -2.228 -3.398 -7.227 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 11.344 9.445 0.623 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 -21.160 -5.715 0.278 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 -2.594 -1.064 12.962 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 11.346 -8.488 -1.181 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 4.434 -1.459 9.419 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 4.974 6.385 7.932 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 10.570 4.200 6.253 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 5.960 7.068 14.518 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 7.574 1.647 -0.915 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 17.130 4.141 -11.148 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 -2.880 -1.319 -14.602 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 -5.253 4.599 -2.398 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 -1.912 16.122 -7.618 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 -26.225 -3.777 12.586 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 -3.262 8.582 3.044 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 11.335 9.319 -3.589 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 -16.763 24.667 23.888 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 1.406 -2.790 -2.561 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 -35.219 7.928 5.910 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 -1.052 -5.312 -2.276 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 0.771 2.258 -3.264 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 -8.350 9.529 -8.106 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 7.951 -5.343 1.522 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 6.260 4.111 4.504 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 12.815 0.470 4.857 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 -14.425 20.601 3.917 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 3.740 1.611 1.838 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 13.599 6.811 3.164 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 -9.193 -6.295 0.506 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 -0.272 0.512 -3.070 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 0.631 11.077 -9.106 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 2.716 -3.373 -12.981 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 3.455 8.277 0.895 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 12.014 6.440 7.336 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 -4.053 1.588 -1.243 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 -0.998 -3.373 6.145 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 -15.825 -22.240 3.290 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 -13.593 6.023 -30.897 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 -0.201 -3.347 6.229 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 -8.974 -2.082 -6.987 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 11.932 -12.298 6.283 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 1.646 0.436 2.350 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 16.495 23.477 -6.237 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 2.616 3.118 1.366 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 -0.275 2.257 -3.302 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 -14.147 12.903 1.807 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 12.398 -0.693 -14.788 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 -2.888 -5.302 -1.657 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 -0.645 -7.972 9.039 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 1.074 -20.439 10.439 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 -2.031 -0.468 -2.169 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 18.234 -18.544 -2.369 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 -4.260 5.977 4.422 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 -0.060 1.888 -1.069 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 19.746 -7.382 -10.364 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 -13.947 -34.036 -1.510 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 6.459 -1.137 0.534 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 -1.855 1.343 24.590 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 15.225 20.320 0.483 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 -4.706 4.072 2.977 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 -3.252 15.581 -6.098 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 7.689 2.105 -15.815 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 -6.193 4.011 4.419 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 -0.247 -7.097 -1.931 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 5.065 15.044 0.767 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 -4.423 -7.382 -0.650 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 -8.723 -5.420 4.845 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 -4.670 -4.924 -6.721 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 -0.812 -0.017 2.796 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 -1.966 2.375 -11.973 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 6.678 9.760 4.847 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 0.772 7.174 -5.830 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 1.583 9.180 -5.483 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 2.397 5.688 -6.668 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 -2.752 8.584 -1.351 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 -10.791 34.079 2.578 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 10.656 -4.687 -0.238 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 11.185 0.806 8.100 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 -10.872 32.046 19.117 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 5.330 -10.237 3.347 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 -3.925 3.022 3.536 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 -2.045 -12.024 5.125 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 4.426 2.048 0.021 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 4.242 -2.969 -0.720 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 -6.338 5.062 -16.833 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 18.552 -16.363 4.842 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 -1.686 -3.373 6.293 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 2.288 -16.490 1.772 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 -4.608 -17.549 12.431 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 6.429 -0.908 5.262 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 14.563 -4.780 -2.962 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 34.572 13.344 11.737 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 0.375 4.273 -1.987 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 -0.505 11.615 14.731 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 8.488 -14.118 -6.554 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 -6.278 -4.315 2.793 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 -15.459 -19.677 14.042 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 18.861 16.676 10.470 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 -2.913 -3.427 -3.474 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 -2.126 -11.989 0.995 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 -3.269 3.219 2.947 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 1.503 2.379 -3.868 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 -9.928 5.979 -6.330 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 -6.605 -21.161 1.651 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 -8.809 4.806 3.708 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 -11.348 -5.477 0.453 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 -4.965 9.905 3.728 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 4.522 -3.621 -5.082 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 5.851 -1.036 -2.132 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 8.643 -5.037 -4.847 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 0.538 -6.657 -4.597 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 2.624 16.233 7.696 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 -0.702 -8.164 -6.696 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 -6.589 -1.354 5.026 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 -1.262 -3.522 10.794 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 -12.753 -3.631 3.562 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 4.948 -3.281 -4.033 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 5.340 2.212 -3.999 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 9.522 6.913 1.833 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 -1.421 0.570 6.521 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 -3.811 0.697 -9.406 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 7.842 3.986 -1.428 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 -0.976 4.066 2.162 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 -4.725 1.967 -3.707 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 0.315 15.254 4.040 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 -2.339 3.227 -2.432 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 -23.768 -6.857 -10.062 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 16.712 -16.294 -5.071 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 1.689 3.097 -0.226 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 -11.690 -0.491 -5.063 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 12.187 -17.105 -3.795 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 3.034 0.362 6.998 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 2.173 3.160 -6.083 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 -8.417 14.355 14.485 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 -0.787 0.743 -3.095 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 -4.008 18.249 10.174 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 1.557 3.785 -0.374 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 6.156 -0.523 -0.899 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 5.174 7.071 -5.662 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 6.908 -1.328 4.655 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 4.822 -8.586 -3.662 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 -12.348 31.226 1.943 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 -4.230 -7.711 -8.226 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 0.586 0.086 -1.347 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 0.851 12.119 21.373 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 -2.810 -2.394 -31.989 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 5.075 1.348 3.786 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 16.112 -9.240 4.059 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 -3.526 10.014 3.074 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 -2.643 -1.462 0.951 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 0.463 2.508 -7.260 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 -0.450 -6.641 -2.410 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 1.846 2.343 -2.284 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 -11.965 -4.455 -0.651 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 8.153 -9.369 2.954 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 -1.254 -5.577 5.364 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 -3.965 7.641 8.559 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 3.737 1.288 9.350 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 -4.632 -2.828 3.711 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 5.112 -8.610 24.767 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 -10.763 -2.171 -8.419 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 -4.991 1.771 -2.833 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 -2.313 1.824 12.002 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 -5.751 2.113 7.385 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 3.677 -2.836 3.293 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 21.406 -0.834 13.685 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 -5.222 -8.307 3.248 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 -2.252 -2.728 5.521 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 -17.112 5.520 5.286 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 4.961 -6.570 5.562 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 0.803 -5.770 0.628 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 3.972 0.792 -4.634 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 -10.942 -3.163 4.640 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 0.761 0.653 -1.205 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 -16.032 17.975 -12.574 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 -15.878 15.118 -11.484 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 -2.799 -2.003 -2.692 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 -1.561 -0.224 -2.538 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 -3.381 -1.640 5.541 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 0.685 -4.848 6.703 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 5.716 2.923 4.819 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 -2.187 -17.480 -4.134 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 -1.713 -3.580 -6.208 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 17.877 11.068 0.959 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 -31.344 15.757 1.162 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 -4.288 1.589 -3.856 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 -13.099 -20.056 3.599 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 -2.583 -0.908 1.991 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 -1.796 -2.872 4.546 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 17.302 27.135 -7.176 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 -0.164 -21.634 -25.135 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 7.622 -3.759 -1.536 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 14.538 0.251 -11.969 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 7.053 -5.350 9.042 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 -2.376 3.577 -1.165 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 3.243 18.180 1.287 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 2.417 15.824 1.239 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 7.742 -10.001 0.190 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 14.815 -21.127 12.724 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 7.766 -6.590 0.523 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 -8.477 -2.288 6.769 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 5.632 -8.086 14.299 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 -19.093 -16.059 5.373 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 -3.008 2.109 -0.277 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 11.097 7.775 2.191 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 -22.620 8.558 21.541 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 0.324 0.980 0.720 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 -10.523 -7.331 16.834 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 11.622 -30.728 1.566 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 0.884 -2.214 -3.804 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 5.212 -9.300 -8.394 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 -5.125 -12.963 10.439 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 1.309 2.965 -4.118 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 6.971 -9.895 7.512 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 -7.713 -2.714 -12.757 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 3.209 5.513 1.550 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 4.770 1.056 -16.526 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 -5.417 2.030 12.079 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 4.293 5.789 -4.766 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 4.107 6.855 4.400 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 -2.557 -6.515 -10.889 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 1.483 3.292 0.665 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 5.902 -19.545 -0.851 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 8.052 5.573 -11.931 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 -2.728 3.643 3.807 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 -4.328 5.266 0.232 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 -8.892 1.987 7.818 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 3.772 3.660 -4.208 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 12.356 -7.396 5.464 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 4.991 12.269 20.219 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 -0.829 -6.410 0.980 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 -8.390 10.978 0.912 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 4.492 -15.079 2.424 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 5.683 -5.119 -0.011 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 9.577 -10.153 10.861 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 14.143 -0.210 11.206 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 -2.882 -1.381 -1.304 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 -4.601 -1.519 -6.060 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 3.102 -4.594 15.333 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 4.666 3.837 -1.025 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 8.289 24.341 1.215 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 -9.288 -15.231 3.519 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 4.320 3.403 1.359 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 -18.619 2.502 -17.033 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 3.670 6.253 0.190 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 -1.647 -4.551 4.197 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 -7.933 -1.180 4.493 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 0.678 -5.338 2.874 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 -7.464 -3.198 0.257 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 9.091 -18.061 3.179 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 -2.208 4.129 -22.572 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 0.957 5.447 -5.651 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 2.593 12.490 -2.993 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 0.420 2.707 -6.740 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 -6.854 -2.355 1.302 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 20.829 -21.357 1.351 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 8.295 -11.235 1.175 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 2.605 3.641 2.817 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 5.611 2.308 8.110 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 -7.450 25.065 11.792 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 4.236 -5.473 2.105 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 -2.024 -8.370 8.375 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 -1.538 -8.306 5.550 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 -0.149 4.015 4.508 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 -2.236 11.619 7.195 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 15.152 9.534 14.604 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 -1.983 -2.538 -5.190 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 7.197 2.697 6.090 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 -15.594 1.159 0.177 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 -4.321 0.695 4.209 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 5.454 23.756 0.259 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 -5.316 35.630 -11.778 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 -5.260 2.599 6.624 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 -7.451 6.124 7.176 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 -18.879 -12.964 3.600 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 -0.053 4.966 -3.049 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 6.624 18.173 -17.318 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 8.852 -7.269 -1.133 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 -4.000 -1.610 2.775 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 -29.049 -2.759 -19.955 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 -12.924 0.409 -0.090 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 1.397 0.312 4.297 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 0.485 9.959 17.845 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 -4.540 8.421 24.263 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 -5.603 0.413 0.061 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 -9.534 -2.059 4.965 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 -7.903 6.304 -4.483 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 7.536 -1.799 -1.094 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 11.324 1.146 -9.055 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 11.405 -1.229 2.167 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 -2.851 -4.584 -1.515 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 -0.186 -4.349 0.218 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 15.675 6.274 21.549 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 -3.497 2.577 -0.980 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 -31.255 12.892 -1.929 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 -7.818 0.936 -0.591 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 -6.462 2.733 6.322 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 19.022 -4.837 -9.239 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 -40.692 17.457 -24.398 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 -1.247 1.287 1.923 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 2.143 -12.693 12.506 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 -2.519 14.011 -1.233 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 -2.222 0.548 -2.672 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 16.505 -0.432 11.965 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 -12.132 -6.958 10.581 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 5.822 -0.529 -0.289 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 -13.287 -11.844 -22.867 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 24.350 -16.177 10.230 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 3.898 3.106 4.273 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 -5.076 5.964 2.762 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 5.221 -11.132 -14.324 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 0.222 6.505 -4.905 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 -9.197 -4.641 -25.252 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 -8.744 -8.572 -9.499 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 1.688 -1.550 9.100 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 17.210 13.148 2.401 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 8.390 -0.389 21.941 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 10.546 2.671 -5.519 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 -3.230 -0.880 -0.565 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 14.766 3.402 -1.182 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 0.413 3.457 6.420 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 4.190 0.242 1.688 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 18.814 -13.816 -19.076 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 -1.434 -1.233 -2.008 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 -25.133 -5.131 -12.326 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 17.825 -21.560 10.800 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 -7.421 -0.172 1.513 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 -11.247 5.841 1.553 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 -8.941 8.103 9.311 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 -1.295 -3.946 4.684 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 -19.495 0.927 -16.029 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 -16.852 0.748 28.923 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 3.075 -4.760 -1.205 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 16.957 4.427 11.496 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 9.249 -13.878 13.783 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 0.762 3.996 8.147 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 -8.382 7.746 9.049 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 1.495 -1.471 -1.983 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 -1.809 -2.435 -7.338 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 1.683 7.950 -4.466 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 -13.464 -18.031 -7.184 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 -4.212 -1.332 -0.147 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 -11.336 -9.110 -16.434 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 4.887 12.641 -5.127 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 -6.484 -1.586 -3.688 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 3.347 -3.873 -2.569 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 6.489 -16.144 5.139 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 0.000 1.288 -2.064 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 4.865 12.473 -3.513 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 -10.195 2.263 -7.548 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 -2.464 -1.317 4.906 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 3.220 -22.342 13.454 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 11.585 -0.576 -5.028 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 1.400 -2.302 2.181 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 -6.324 -2.439 -3.362 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 3.186 -2.385 1.675 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 0.898 -3.535 0.236 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 5.100 -23.052 12.096 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 -18.689 8.363 13.950 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 -0.759 -1.688 -1.855 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 -23.997 10.636 17.973 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 -22.915 27.332 15.136 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 4.254 -2.764 2.358 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 3.194 -0.798 2.230 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 -1.747 -16.394 10.723 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 4.848 -0.081 2.207 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 -16.674 6.901 -10.298 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 2.850 13.295 13.981 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 5.142 1.850 3.364 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 -16.638 25.790 3.154 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 4.762 -8.219 -22.599 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 0.396 -8.124 3.341 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 0.028 -12.595 0.864 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 -4.875 -2.765 18.596 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 -5.326 0.905 3.969 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 -2.644 -2.200 10.344 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 -6.278 4.679 0.222 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 0.150 -5.488 -2.824 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 3.911 -10.695 -6.402 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 -2.192 -4.160 -3.032 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 -2.122 -1.885 -5.295 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 -14.774 -17.208 2.081 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 11.754 11.376 -10.298 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 3.948 -1.416 8.090 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 -3.328 -3.325 10.566 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 -2.273 21.233 -1.895 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 2.392 1.454 -3.808 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 5.664 -13.709 -8.977 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 17.583 4.400 10.853 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 6.041 -6.026 4.103 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 7.979 1.620 -0.850 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 -6.054 3.081 13.821 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 3.270 -1.036 -0.705 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 -1.776 2.358 10.997 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 -7.841 -10.005 6.166 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 6.334 3.247 -0.365 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 -13.099 12.512 -23.027 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 10.918 3.531 0.434 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 4.862 -4.936 8.275 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 8.897 -2.996 15.188 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 10.664 2.402 3.927 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 -3.035 1.011 0.481 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 18.639 7.092 -7.357 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 -17.000 2.659 -18.231 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 -5.132 -1.542 -4.513 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 1.612 4.417 14.203 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 -4.280 12.592 0.705 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 4.265 2.822 0.428 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 12.816 15.410 21.001 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 -10.503 -10.565 14.775 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 -4.137 -0.526 -9.806 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 -14.864 -11.599 -2.329 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 9.858 0.275 2.226 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 -2.662 4.382 0.801 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 0.136 7.665 -18.623 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 3.401 28.327 -2.910 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 -2.778 2.523 0.999 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 0.415 -10.746 4.100 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 -8.762 41.455 -15.164 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 2.472 -2.364 2.755 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 0.768 -6.530 12.829 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 2.660 2.350 7.696 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 4.342 -0.380 -0.672 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 6.750 -9.802 12.141 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 6.958 -9.830 12.609 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 -4.434 -0.648 -1.943 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 -0.539 -13.959 0.865 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 -0.324 4.404 -1.770 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 4.728 0.384 1.548 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 -6.063 1.195 -4.103 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 8.741 -8.746 8.185 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 -3.443 3.971 1.040 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 7.685 8.255 -12.502 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 -1.837 7.624 -5.471 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 -2.355 3.591 6.879 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 -21.024 -23.430 4.812 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 8.916 6.086 22.439 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 2.155 7.525 -1.342 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 7.325 8.713 -1.056 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 5.268 8.430 -0.708 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 2.173 -3.199 4.268 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 11.111 3.582 2.445 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 7.243 -8.822 9.924 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 1.004 -4.970 2.053 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 -9.003 -17.352 -1.057 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 -10.447 6.924 1.224 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 5.643 4.112 3.426 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 -0.092 -3.379 -26.569 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 34.758 -0.311 7.812 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 -5.747 2.028 -1.247 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 -8.708 -5.551 -0.616 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 2.438 5.196 -4.505 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 -5.685 -5.740 0.455 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 -22.343 -19.010 -1.278 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 -23.123 1.328 5.261 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 -0.719 7.430 2.889 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 -4.591 0.294 -3.497 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 7.022 10.716 -3.075 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 -1.247 -0.207 1.440 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 12.809 -11.385 27.311 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 -14.635 -16.321 -20.041 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 -4.678 2.921 0.327 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 7.011 15.302 6.519 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 8.893 -8.384 -4.601 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 -3.083 5.573 0.442 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 5.356 -15.580 -26.788 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 3.737 -8.981 -17.006 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 -1.431 1.387 5.785 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 14.475 -8.977 -22.039 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 -7.652 -19.334 2.336 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 -1.761 -0.936 -5.164 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 1.019 36.448 6.728 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 -11.733 -27.082 3.011 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 -0.684 -3.519 -1.945 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 15.319 -16.107 -20.797 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 -2.689 -0.020 2.209 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 5.271 -8.485 1.175 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 15.507 2.588 10.923 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 6.043 10.828 12.970 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 -2.697 -1.143 1.182 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 -1.943 -2.592 -12.881 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 -9.832 -4.516 -3.805 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 -0.895 5.706 -4.004 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 3.564 -6.829 5.309 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 9.396 -35.611 20.271 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 1.131 -3.289 4.564 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 16.325 -11.358 9.602 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 -12.873 -3.086 8.096 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 7.207 -0.097 -2.822 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 8.384 25.908 1.989 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 2.398 1.775 -12.399 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 -4.147 4.573 9.634 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 6.062 -10.868 19.625 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 -7.682 13.715 28.560 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 -4.669 -1.849 1.456 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 8.712 4.387 -21.887 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 7.636 6.879 -29.019 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 3.780 -1.464 3.610 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 16.965 -11.633 -5.706 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 7.014 2.416 -13.045 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 2.117 -0.021 -2.409 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 -1.797 6.611 1.073 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 -5.348 -0.317 3.763 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 2.433 -2.872 -2.401 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 -19.741 -15.325 -0.420 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 -8.648 18.338 -4.600 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 2.487 -0.719 0.060 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 6.279 7.159 4.196 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 -5.283 0.574 -0.335 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 -2.572 -2.818 -7.711 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 19.016 -3.500 2.544 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 1.718 -30.039 0.901 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 8.600 -1.048 4.778 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 -16.148 -8.902 10.101 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 2.454 15.685 6.737 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 -7.486 3.074 -3.999 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 -2.912 13.889 10.603 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 10.590 -16.761 -11.460 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 3.853 -0.704 4.822 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 11.610 -7.012 5.071 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 -13.655 14.759 -15.311 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 -4.830 2.433 -0.668 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 -13.543 -15.903 7.501 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 -23.429 0.247 2.384 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 3.558 4.914 -3.439 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 -14.211 -2.640 18.349 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 10.762 7.699 -13.999 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 0.746 5.213 4.133 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 1.655 10.110 16.258 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 12.544 -4.610 1.932 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 -4.216 3.832 -5.263 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 -17.841 3.972 -0.979 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 -18.215 0.613 -5.056 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 -3.204 1.340 -1.165 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 16.347 2.305 19.851 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 -18.788 10.329 11.898 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 0.732 -0.839 2.723 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 1.139 -11.100 5.959 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 4.776 -11.542 5.938 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 0.780 2.130 -0.678 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 -7.034 3.676 8.905 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 5.235 9.881 1.435 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 -2.236 -5.640 -1.386 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 -14.579 -12.286 1.299 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 -2.628 -3.198 -2.123 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 1.565 -3.094 0.909 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 -13.708 -0.671 -0.144 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 -6.306 13.957 -4.887 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 -2.301 1.275 -0.219 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 -1.271 8.188 0.672 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 -6.009 -0.391 -0.954 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 -1.751 -2.050 3.861 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 -4.840 -6.586 3.752 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 30.552 -3.187 13.166 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 0.600 -2.285 -0.314 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 -18.346 6.365 -15.893 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 -6.677 -10.944 -11.166 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 3.638 -1.898 -0.552 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 13.141 -17.233 -4.339 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 15.116 0.849 -5.885 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 5.029 4.899 0.408 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 1.050 8.364 -3.650 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 13.034 5.254 4.705 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 2.754 -2.679 7.410 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 15.256 10.918 13.628 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 4.900 12.952 33.243 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 -1.239 2.537 1.999 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 -5.375 -4.392 17.249 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 -15.869 -9.101 -7.542 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 -1.430 3.474 -2.168 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 -5.358 7.037 2.094 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 5.020 7.025 -2.208 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 -4.533 0.988 -1.813 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 -13.917 -3.494 6.236 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 -12.862 18.461 -5.417 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 2.386 2.370 -0.382 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 -18.522 8.776 0.129 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 -4.050 -17.248 9.628 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 1.211 0.277 -5.055 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 -28.214 -17.637 -3.315 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 -9.985 -5.471 -3.923 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 6.497 -6.357 5.281 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 0.506 -10.772 18.790 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 -8.628 -4.745 0.830 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 -5.565 3.318 -4.179 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 9.606 -14.510 8.204 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 2.390 3.800 -8.540 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 -4.061 -2.696 0.686 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 -5.945 -2.968 2.290 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 -3.784 -0.091 5.399 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 -1.204 1.191 3.411 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 1.332 2.984 -24.226 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 -6.047 -4.434 21.832 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 -1.383 2.252 -7.336 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 -4.318 2.345 -9.574 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 -23.055 -6.351 -5.426 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 3.004 2.808 4.892 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 -9.631 15.605 5.403 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 6.499 15.144 5.888 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 -1.372 3.432 2.145 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 -12.954 -3.519 -2.096 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 26.904 5.780 9.846 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 -0.301 -5.457 -3.698 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 8.314 -10.219 6.631 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 -20.784 4.228 -28.117 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 -4.425 -0.744 7.487 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 -9.685 8.820 10.335 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 0.023 0.564 -1.727 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 6.813 7.528 -0.882 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 4.241 -3.291 2.501 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 -11.738 12.598 -19.217 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 6.201 -4.933 -2.109 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 -21.536 23.333 19.994 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 -25.536 -4.877 -6.617 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 3.317 3.522 -3.053 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 -0.628 5.942 -2.998 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 -2.267 8.205 -2.374 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 4.583 -9.407 -0.499 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 4.137 -9.877 -0.988 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 -8.638 -14.378 -10.683 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 2.825 -3.201 0.768 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 32.612 21.669 -22.755 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 -11.530 21.394 0.903 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 3.760 0.967 -0.217 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 -2.475 -15.590 21.033 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 5.303 3.542 -6.633 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 -1.236 3.948 6.504 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 -19.382 -9.451 -3.443 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 -18.495 -7.513 -1.178 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 6.629 1.058 6.476 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 3.233 -4.417 4.004 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 6.083 -2.411 6.500 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 -7.597 5.286 -0.576 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 5.919 -2.423 -2.485 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 -7.577 -9.102 -4.586 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 2.546 1.219 -1.398 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 -3.243 0.511 0.840 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 -14.489 -1.672 4.346 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 -0.340 0.412 -1.530 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 -3.351 0.582 -1.498 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 -6.253 -17.054 11.345 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 -1.815 -0.644 -5.554 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 26.915 -3.505 -7.742 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 -7.430 -16.398 -9.404 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 1.880 -2.940 1.829 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 -18.602 -14.859 16.128 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 -24.508 -8.794 0.470 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 3.017 3.838 2.000 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 5.503 9.392 -1.965 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 -3.231 0.622 -2.990 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 -0.677 6.257 -4.091 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 -1.312 -4.553 -10.496 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 -28.000 -6.428 1.015 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 2.531 -0.753 -4.369 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 4.554 1.520 -5.454 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 5.664 -14.018 0.673 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 1.549 3.102 -0.551 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 12.294 19.867 -13.797 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 11.591 -3.444 15.837 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 7.875 1.799 5.308 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 -3.703 -3.779 -15.121 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 8.810 -1.281 -1.815 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 -1.458 3.983 2.301 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 -16.485 2.837 7.080 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 6.464 8.414 2.548 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 2.669 -3.350 -2.080 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 2.373 -18.670 -3.823 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 0.913 -1.610 -7.227 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 -0.279 0.546 0.464 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 -9.650 -18.838 0.443 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 -3.170 -7.986 -0.335 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 3.072 -1.887 2.610 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 12.847 -13.833 -8.454 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 -0.404 10.764 -9.176 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 7.631 4.451 -3.968 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 -17.263 7.273 -37.206 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 0.611 22.056 10.945 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 -2.306 4.297 1.328 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 14.120 7.127 -2.552 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 5.616 12.167 -3.680 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 1.199 0.536 -2.395 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 3.911 11.107 15.208 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 2.379 -17.002 -9.553 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 0.941 10.128 2.528 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 7.076 10.359 13.698 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 10.083 -5.051 8.277 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 3.987 -0.166 -1.680 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 -0.547 4.802 12.353 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 20.934 -1.028 -11.299 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 2.670 -5.595 -1.856 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 17.896 4.505 -18.016 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 9.319 4.494 19.565 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 3.563 -4.753 -1.904 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 4.702 -4.295 -11.682 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 -6.193 -9.075 -15.062 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 3.771 0.332 2.701 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 -8.380 2.023 -10.463 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 20.222 11.719 8.267 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 2.853 4.398 4.344 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 6.712 1.084 -2.571 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 -3.132 3.362 8.579 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 -2.856 -3.346 -0.258 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 18.966 -2.247 19.243 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 17.708 -13.880 30.139 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 -8.481 -0.294 -0.116 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 -1.771 2.288 -7.705 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 8.146 17.023 19.418 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 -2.843 -1.851 0.889 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 -8.904 11.326 -6.282 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 1.242 -11.885 3.079 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 -4.309 0.070 -0.829 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 0.280 -13.119 -3.532 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 5.189 -30.876 -6.931 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 -3.006 3.535 0.609 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 -4.393 9.062 18.510 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 4.907 -10.214 -1.470 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 -2.388 0.580 -0.456 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 -2.838 -0.079 -1.782 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 -1.471 5.093 -2.043 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 -0.026 -3.155 -8.546 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 -8.423 -2.283 -11.358 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 -5.063 -5.878 -10.750 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 0.654 0.889 0.178 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 -9.685 10.133 18.606 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 1.473 4.064 -4.065 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 -3.256 -4.242 2.341 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 20.459 -5.037 -14.344 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 8.574 -5.774 -7.687 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 -8.380 -2.020 0.865 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 -7.413 4.683 3.084 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 -15.300 -3.437 -0.847 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 4.477 -6.491 4.806 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 -6.917 -3.143 -0.116 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 9.891 -4.017 -5.560 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 3.750 0.236 -1.278 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 -22.985 -2.333 -4.921 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 27.500 8.402 -2.145 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 -7.744 1.984 4.374 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 -2.517 7.067 3.675 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 -5.482 5.373 5.092 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 -2.689 -0.577 0.190 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 -0.847 5.787 -11.549 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 13.016 -6.048 0.778 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 -2.283 -0.695 4.220 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 4.134 -4.706 4.225 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 -6.941 3.836 -1.403 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 6.118 -2.034 2.963 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 7.935 10.600 -19.550 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 16.047 -20.525 -5.855 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 2.215 1.847 -2.823 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 25.953 12.247 -9.746 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 -12.434 6.476 -23.849 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 -0.041 1.586 -2.191 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 -8.643 -5.949 6.184 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 5.143 8.656 30.144 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 -4.057 1.982 2.435 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 -10.773 10.837 8.006 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 26.687 -4.205 -19.796 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 4.203 0.157 -2.571 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 6.917 2.310 23.022 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 -20.311 -3.059 3.398 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 6.563 4.370 -1.395 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 9.552 8.991 -4.775 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 5.151 4.427 -2.174 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 4.204 6.631 3.848 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 -7.131 -2.854 2.164 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 -9.184 -3.347 5.342 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 3.361 -0.889 -4.401 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 21.485 2.977 -22.153 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 1.336 1.723 -11.839 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 0.383 0.230 3.501 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 7.086 6.166 4.012 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 -1.091 0.141 3.810 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 -6.077 -0.680 -3.257 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 -16.350 5.846 -3.555 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 9.720 -4.879 -7.918 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 -3.861 -0.829 1.840 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 5.826 -17.308 -2.312 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 3.007 -12.166 3.063 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 -4.718 -0.387 -0.070 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 6.934 -13.082 -16.190 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 7.205 -6.222 14.931 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 -0.692 -1.071 2.932 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 -22.754 12.243 -35.630 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 -3.151 -16.822 -0.518 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 1.100 -5.460 -2.567 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 -9.423 -4.031 2.948 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 -9.582 -0.805 9.901 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 1.292 1.598 8.941 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 5.675 14.233 -16.157 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 -15.085 5.640 23.788 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 -3.325 0.972 4.275 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 -7.166 2.667 27.682 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 -3.271 1.842 -6.999 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 -0.875 0.613 0.988 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 8.908 -8.681 7.909 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 -11.258 11.803 -5.065 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 0.434 -1.368 1.937 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 -18.030 -5.098 5.708 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 16.264 -6.815 11.206 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 -4.159 0.462 -3.992 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 12.958 43.282 6.263 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 8.985 2.543 22.436 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 0.778 2.539 -3.745 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 -1.754 0.561 -10.780 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 0.175 -5.246 1.563 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 -3.822 1.333 -6.588 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 0.247 -10.951 -9.603 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 4.500 -1.540 12.631 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 1.974 2.833 -6.471 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 12.077 7.398 -21.613 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 8.549 5.519 -11.244 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 -9.557 -1.843 2.576 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 -5.349 -21.624 1.898 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 -11.687 -18.982 17.468 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 -0.545 -2.275 0.037 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 6.595 -2.738 10.591 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 5.087 0.929 -7.296 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 5.752 -1.309 -4.027 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 10.097 -6.222 -1.569 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 -1.174 -10.887 -3.821 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 3.219 2.020 5.083 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 2.848 41.461 -12.076 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 12.165 15.142 -0.086 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 -4.502 0.151 0.279 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 -10.261 13.919 2.420 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 -2.660 13.081 18.403 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 3.051 -6.847 5.383 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 -6.645 -4.746 -1.025 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 -10.973 2.477 -2.499 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 2.624 -1.395 -0.335 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 5.323 0.408 -0.375 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 10.389 -6.112 -1.166 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 4.459 -1.869 1.886 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 -20.490 -12.566 5.329 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 -0.830 5.191 8.171 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 1.345 -2.404 3.629 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 -4.053 -1.814 -12.107 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 -9.942 -16.457 -7.464 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 1.159 3.362 -1.789 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 8.461 16.635 -8.156 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 -7.314 -7.515 -1.559 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 5.137 1.799 4.676 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 10.079 7.043 8.770 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 6.461 3.819 -3.075 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 -3.887 0.664 2.896 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 -2.370 -2.288 6.201 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 6.182 6.960 9.332 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 -3.392 -5.499 -5.153 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 0.673 -21.382 1.029 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 8.706 4.585 3.926 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 4.730 -2.460 -2.138 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 15.735 1.235 0.277 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 -44.803 -17.232 -11.575 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 2.988 4.459 0.046 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 12.590 0.434 12.444 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 -3.100 3.349 -9.689 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 0.529 2.277 -1.085 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 24.456 -16.843 6.102 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 6.816 -24.216 -15.019 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 0.584 -2.844 5.337 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 10.645 -4.404 13.236 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 -8.879 0.546 13.443 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 12.106 7.388 2.646 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 -20.561 17.448 2.566 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 11.827 -8.491 2.576 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 -2.101 -0.296 -0.256 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 -5.211 1.567 -10.537 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 19.751 27.681 6.504 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 2.420 -1.765 -0.729 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 5.334 -17.714 -4.440 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 2.635 4.821 1.127 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 1.017 -6.348 4.190 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 -4.797 9.161 13.564 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 4.153 -9.192 6.244 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 -2.137 -4.433 4.043 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 26.935 0.986 7.175 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 -8.129 -8.891 3.091 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 3.788 1.290 1.225 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 7.415 -4.003 4.474 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 6.019 3.952 0.599 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 2.561 3.129 0.934 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 18.398 13.258 -17.138 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 -0.876 -8.832 -2.945 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 -0.819 -0.657 7.297 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 12.919 9.267 -11.324 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 -26.523 -13.949 -7.723 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 3.003 -0.238 1.095 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 -0.764 -10.815 8.441 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 -0.551 14.591 5.232 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 4.715 -1.383 1.993 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 14.419 -23.055 9.083 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 26.024 16.388 3.304 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 2.301 1.020 -0.833 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 -5.896 -13.122 5.632 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 6.675 -10.128 -22.661 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 1.907 1.028 -0.130 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 -11.144 19.496 8.311 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 4.060 10.279 4.123 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 -6.860 0.408 -8.605 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 -2.609 -4.251 -10.505 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 19.942 11.572 -2.291 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 3.060 -0.349 0.234 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 -5.752 2.131 -14.189 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 11.823 0.442 -13.049 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 -1.026 1.367 -2.189 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 -11.880 -2.994 -1.114 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 2.129 -5.428 -2.478 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 1.754 2.138 -4.455 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 8.343 27.804 11.148 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 21.500 -12.512 -18.171 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 -4.382 8.863 -3.064 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 4.184 9.499 -23.784 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 2.811 4.216 -31.371 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 -7.566 -3.863 -2.425 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 -3.573 -18.954 4.821 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 0.918 -0.658 -4.939 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 -2.170 5.418 -4.574 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 0.434 7.839 -0.511 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 -13.235 11.235 2.367 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 -0.847 2.425 -4.146 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 -10.418 3.701 -19.667 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 7.815 4.879 13.126 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 3.914 -5.636 0.441 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 -12.169 -28.203 5.338 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 19.654 12.981 -9.293 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 4.789 -7.107 -0.005 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 6.327 5.062 14.272 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 10.284 -8.023 18.572 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 -0.203 3.606 2.009 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 5.850 -6.803 -4.924 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 -16.860 2.870 9.488 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 1.890 -2.052 -3.737 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 7.075 -4.495 -5.948 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 13.645 -12.087 -7.631 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 13.164 3.840 6.300 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 -18.546 14.521 18.217 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 19.786 4.836 -9.446 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 0.871 -2.608 -5.416 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 5.133 5.909 0.041 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 -14.786 -10.851 -10.108 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 1.612 0.799 -0.739 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 8.394 -8.484 19.648 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 1.220 -3.687 1.227 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 1.147 1.912 3.210 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 6.749 -4.805 13.093 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 15.517 18.752 9.409 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 0.051 -1.259 -0.726 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 -0.610 -1.325 -0.535 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 3.998 1.326 -1.850 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 -3.363 1.345 3.280 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 -19.796 11.722 4.148 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 0.677 2.465 -12.969 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 10.105 4.003 3.202 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 -8.466 12.086 16.652 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 21.190 2.568 3.895 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 0.166 -5.311 -6.911 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 -19.498 18.551 -0.950 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 1.054 15.747 11.520 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 -5.444 -4.883 0.825 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 3.776 -6.748 3.942 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 -4.461 4.185 -1.999 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 2.715 2.095 3.287 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 1.290 0.465 8.227 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 2.412 1.817 -3.543 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 -3.440 -0.592 -0.717 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 -12.529 -0.739 1.234 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 -11.172 3.105 -13.857 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 -4.019 4.466 -1.702 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 7.175 5.825 -0.883 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 37.499 13.245 -6.293 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 -6.527 3.657 1.830 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 -0.065 -0.626 4.450 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 -4.901 10.030 -6.515 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 -2.825 -4.553 -3.196 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 0.093 -1.150 -5.211 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 -1.990 -11.566 9.017 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 2.830 1.998 -2.565 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 7.307 -2.719 2.692 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 8.632 13.933 -2.769 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 2.996 1.119 4.694 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 15.279 5.701 23.347 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 -1.470 4.437 4.983 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 0.863 -0.359 -3.190 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 20.887 -28.719 18.038 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 10.546 -11.015 6.124 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 3.427 0.176 0.448 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 -12.236 8.022 -5.718 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 10.723 0.732 -5.079 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 -1.110 5.556 6.750 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 -0.504 5.110 5.244 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 0.246 6.728 2.849 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 -2.840 3.367 -2.343 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 -3.609 18.376 6.537 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 -2.945 0.477 0.494 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 2.964 3.214 0.144 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 7.060 0.239 -1.738 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 -26.609 -5.769 -4.279 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 -6.371 1.595 -0.076 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 -7.184 6.346 6.816 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 -5.597 -1.988 -0.528 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 -0.223 9.856 -1.761 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 25.547 10.368 -4.383 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 21.711 -16.820 5.046 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 5.206 2.698 -3.504 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 -5.950 -1.304 0.357 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 0.482 5.781 6.089 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 0.020 2.550 5.526 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 1.431 2.447 4.981 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 17.043 -9.996 -12.169 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 -0.148 -3.814 -3.362 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 -4.549 -20.699 -9.486 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 -2.057 6.880 -3.491 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 1.543 1.134 6.651 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 16.728 23.617 -8.674 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 -6.403 -7.427 9.792 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 4.913 1.084 1.011 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 8.028 -6.417 -3.572 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 7.143 -1.560 -0.586 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 -0.463 2.471 -0.208 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 3.073 15.576 27.835 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 5.216 16.273 21.715 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 2.643 -3.684 2.367 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 9.105 0.262 8.420 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 28.492 -12.203 2.639 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 2.338 0.425 -9.712 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 -13.554 10.263 14.516 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 4.795 20.556 -8.243 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 -2.009 -1.347 -4.570 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 1.609 7.555 1.053 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 12.256 8.894 -16.569 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 -2.639 -5.292 -0.029 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 1.977 -0.152 -1.468 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 -8.123 -10.927 3.384 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 -3.173 4.874 -2.066 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 13.719 11.083 -12.562 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 3.033 3.782 0.216 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 2.383 -5.953 2.375 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 9.911 -21.851 -7.904 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 -8.239 12.667 8.198 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 -0.768 0.805 0.837 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 16.083 -7.533 2.802 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 -3.965 2.926 -8.276 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 -4.415 4.765 11.038 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 -26.757 -13.584 9.655 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 -4.626 3.268 -11.399 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 1.300 3.589 -6.001 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 0.518 7.745 -4.618 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 -0.921 16.578 19.559 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 -1.596 -3.571 -0.484 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 6.857 -2.366 7.489 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 0.151 -6.466 13.487 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 -11.167 -2.033 2.992 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 -18.139 17.645 -0.894 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 -12.735 3.339 2.494 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 3.267 -3.437 -1.583 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 -15.839 -3.354 12.780 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 10.250 -12.757 0.151 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 -1.118 -4.746 -0.262 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 -0.330 -7.870 -13.331 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 -2.585 1.485 -4.693 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 7.601 -3.828 -4.142 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 17.052 -9.708 3.791 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 25.014 15.620 15.124 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 1.348 5.512 -1.685 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 -9.254 7.577 -8.916 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 -9.128 12.783 -23.205 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 -2.945 3.550 -2.496 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 10.447 2.121 1.062 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 -2.120 10.287 -11.042 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 -5.487 1.076 2.571 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 4.293 -1.079 -2.923 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 -40.483 0.479 14.981 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 -1.368 -3.870 0.962 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 9.394 3.616 -9.203 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 0.556 -3.372 17.393 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 0.404 -1.535 -3.554 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 -9.908 -15.981 1.859 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 11.947 -12.958 -8.421 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 -0.664 -1.979 -11.302 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 -5.931 -3.274 1.927 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 -2.460 -2.678 -4.335 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 5.799 -0.134 -1.456 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 26.625 24.838 -3.244 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 7.514 -5.881 -3.098 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 2.110 -1.808 -1.183 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 -7.346 5.432 -15.532 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 -11.681 8.752 -0.290 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 7.812 -0.829 -2.564 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 7.575 -11.033 -10.213 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 5.071 -9.722 -17.670 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 0.541 1.673 -13.551 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 9.643 -9.127 -3.505 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 0.707 -26.138 -27.356 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 4.062 -9.098 2.084 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 2.666 -37.922 0.975 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 -9.479 -20.321 1.669 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 1.621 5.499 1.008 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 -11.534 -25.549 0.005 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 16.340 7.740 -10.102 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 3.553 1.730 -1.915 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 3.241 -4.024 -15.183 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 -11.054 -3.243 0.925 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 -4.465 3.913 -1.100 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 3.169 -3.388 5.491 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 -15.467 -0.904 0.395 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 -1.573 -0.060 -3.174 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 2.949 35.015 -2.303 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 -4.074 -21.768 -4.774 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 2.201 -6.635 6.870 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 -16.046 -9.737 2.675 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 -1.198 -10.992 16.885 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 2.162 1.374 -4.581 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 7.117 11.075 2.893 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 14.913 -6.737 -1.844 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 -6.028 0.561 1.009 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 -3.956 -0.704 -6.703 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 -12.252 1.412 4.719 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 -4.001 0.070 -5.758 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 -2.378 28.298 21.170 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 -24.187 -1.261 8.872 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 -5.203 3.359 -0.511 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 -12.700 3.083 1.216 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 52.614 -2.561 -4.760 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 -2.675 0.635 -3.850 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 15.777 12.501 -16.415 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 -21.005 -4.213 -2.097 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 2.348 -5.245 3.894 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 -6.077 -7.664 32.833 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 2.816 -5.957 11.360 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 -0.969 6.063 -0.513 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 -3.805 7.551 -4.305 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 25.646 -0.001 18.216 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 0.076 -0.653 0.686 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 45.561 30.003 -8.249 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 -31.935 28.361 -5.698 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 1.304 -3.494 4.071 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 -21.151 -10.468 -1.959 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 10.396 8.012 10.655 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 -0.873 5.777 0.765 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 11.860 13.201 -4.125 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 2.732 2.248 -4.879 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 -0.370 0.205 3.872 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 10.457 15.696 17.724 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 -6.030 -1.724 2.901 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 3.607 -10.030 1.302 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 -1.324 -23.436 8.475 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 5.482 1.326 -10.405 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 -0.046 0.585 3.700 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 1.308 3.687 3.105 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 3.430 7.403 0.088 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 -6.637 1.560 -2.840 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 -10.173 5.588 12.148 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 0.430 -22.942 -19.173 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 -0.236 -4.396 1.321 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 -23.777 31.095 0.289 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 -9.498 7.480 0.594 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 5.350 4.183 -1.525 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 14.156 15.503 10.212 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 5.282 3.967 -0.883 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 1.527 2.230 -4.865 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 -8.501 1.399 -7.916 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 -1.740 1.892 2.015 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 -3.885 -2.528 -2.682 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 -8.017 -29.039 -5.408 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 13.658 28.849 -10.617 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 4.170 2.029 -3.854 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 -7.184 3.256 -9.984 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 2.789 8.186 8.408 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 2.742 3.421 -6.793 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 6.298 8.494 -11.784 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 -9.726 -9.970 8.480 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 0.348 -1.851 2.791 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 -3.607 4.252 5.131 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 -3.643 12.368 -2.341 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 -4.322 0.153 3.939 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 -20.476 -3.951 11.459 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 3.764 -3.115 -0.481 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 5.084 0.654 -1.290 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 11.212 -8.923 12.473 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 23.859 19.362 -8.849 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 6.368 -6.855 2.660 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 -6.835 -0.178 -9.348 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 8.296 4.195 -1.736 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 0.838 -2.869 -1.101 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 -3.756 0.904 -5.194 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 -11.472 1.248 3.664 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 -1.735 -4.381 1.899 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 2.206 9.195 11.548 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 -7.575 -4.892 -18.045 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 -5.133 -3.642 -2.936 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 -4.066 8.895 5.699 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 5.781 -2.696 -13.083 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 0.072 5.269 -0.142 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 0.725 4.911 0.550 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 10.387 8.417 -15.905 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 11.368 6.557 5.264 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 5.334 7.833 11.744 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 6.569 8.026 12.391 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 -4.444 3.948 -5.754 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 2.047 -8.227 -11.407 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 -21.506 4.274 -15.859 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 2.476 0.774 1.073 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 -18.147 9.296 11.082 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 17.039 9.043 3.507 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 -2.486 2.272 1.342 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 -26.432 10.829 -6.482 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 -7.247 2.493 0.573 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 2.251 -2.703 1.340 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 0.122 2.506 -0.839 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 5.441 -11.592 -0.692 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 2.207 -6.557 -2.282 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 -1.482 -1.150 19.660 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 3.720 10.500 -14.993 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 0.477 -3.053 -1.978 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 10.125 8.594 -20.630 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 13.448 -9.257 -18.473 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 1.070 -9.642 5.115 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 -0.410 -9.455 40.166 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 2.079 7.594 -1.573 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 6.454 3.970 3.041 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 14.236 -3.552 10.606 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 -4.160 -21.020 19.331 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 2.286 -3.729 -1.432 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 33.856 3.516 4.558 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 28.980 -0.811 2.668 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 -2.422 0.342 -3.329 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 -24.789 12.963 -13.437 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 -11.085 1.815 -23.382 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 -5.948 0.999 2.762 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 -13.135 14.251 -5.007 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 8.373 -24.908 7.380 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 2.236 8.722 0.656 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 7.183 10.673 8.621 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 -0.856 10.646 -9.337 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 0.188 8.741 -3.545 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 1.555 10.009 11.554 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 -17.349 -10.278 -17.554 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 -1.353 -1.168 -1.407 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 3.296 -7.352 -2.966 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 -6.370 11.165 0.827 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 -5.269 -0.364 3.326 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 -7.822 11.169 -6.265 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 -2.389 -19.510 18.238 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 4.881 -1.686 -2.473 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 9.493 -2.794 -3.113 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 -4.239 -1.597 -5.657 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 1.131 -1.517 1.867 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 6.952 0.003 12.272 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 -1.741 -5.807 14.180 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 -0.080 1.878 -2.893 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 -1.176 8.970 -4.783 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 -3.345 4.988 -7.211 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 -4.669 0.088 -3.880 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 25.032 -10.616 -6.291 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 0.628 29.221 20.481 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 -8.506 -5.291 0.181 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 7.123 11.820 -6.211 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 -10.295 2.061 -14.437 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 -2.202 9.081 0.058 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 -22.566 -9.504 -0.826 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 3.522 -1.461 -3.748 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 -4.888 -0.907 -0.019 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 13.071 17.691 1.107 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 21.020 22.547 1.376 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 -2.214 -0.351 4.883 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 7.355 1.009 8.310 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 28.377 16.585 22.027 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 -1.400 2.768 -0.968 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 -24.448 22.985 12.044 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 -9.944 14.273 4.117 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 -3.934 -3.173 -3.003 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 1.090 22.057 -31.080 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 -6.370 -11.286 -9.375 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 2.963 0.644 -1.391 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 11.232 3.007 1.857 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 -0.718 4.299 -12.513 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 -2.090 7.464 -3.928 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 19.806 21.950 -9.626 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 0.197 -4.816 1.657 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 -2.868 5.470 -9.821 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 1.476 -1.178 -13.903 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 -11.950 2.704 -9.280 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 -3.454 1.740 7.052 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 -6.053 -8.849 2.256 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 11.985 -12.396 11.052 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 -0.385 3.689 8.983 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 7.278 9.341 13.681 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 -7.538 15.181 -0.582 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 0.645 -3.807 -2.699 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 -4.394 -7.152 2.941 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 25.836 -19.120 -16.451 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 2.687 -3.289 4.255 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 4.358 -0.239 -2.094 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 0.606 16.641 1.708 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 -10.544 -3.654 -5.460 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 -16.687 20.061 -14.211 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 -3.219 -28.849 2.164 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 -3.523 -0.059 -1.332 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 3.278 -8.036 -19.350 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 1.557 -0.390 -14.094 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 1.664 2.261 0.786 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 12.450 -11.711 -21.557 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 10.919 8.563 2.114 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 -1.262 -6.389 3.675 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 -6.615 -0.450 10.337 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 6.209 -2.706 -11.958 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 -2.794 1.603 2.645 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 2.727 1.970 9.502 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 -12.082 1.105 7.817 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 0.320 -1.076 12.418 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 -16.686 -5.248 20.645 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 13.765 22.969 -1.804 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 -1.740 3.009 4.402 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 -13.469 -13.753 -3.940 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 -4.695 -2.298 -2.541 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 3.616 -4.498 -6.621 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 3.904 -2.533 3.135 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 2.973 -0.584 -15.523 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 0.833 -2.569 4.112 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 1.882 -21.005 0.561 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 8.919 -0.597 12.768 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 0.599 2.324 2.537 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 22.370 13.653 -8.539 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 -13.143 -6.126 -17.200 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 -2.485 -1.301 1.781 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 21.514 -2.020 -7.835 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 7.606 22.760 4.302 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 -7.893 -4.106 5.032 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 -12.609 -14.654 -11.309 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 -7.542 -3.393 -29.390 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 2.008 0.864 6.764 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 -6.602 -11.609 -3.788 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 17.075 16.654 18.598 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 -1.747 6.009 -2.567 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 12.096 8.929 12.747 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 4.183 -16.949 -9.609 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 -5.254 2.575 5.572 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 -11.407 7.908 -16.009 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 -4.943 9.025 -3.135 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 0.275 -6.956 -4.313 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 -16.983 -9.303 4.651 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 2.694 13.102 -4.832 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 -6.123 -0.238 -4.111 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 -12.919 -7.486 3.998 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 -8.357 -3.696 -5.673 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 3.437 2.017 -4.490 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 -20.044 -1.944 16.776 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 -9.234 -1.582 20.179 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 5.571 -3.893 4.459 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 6.737 -5.716 4.300 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 7.689 -2.129 5.190 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 0.994 -3.975 -6.033 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 1.306 -7.962 -11.385 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 -3.457 2.736 -2.165 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 -1.279 -0.013 10.726 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 -1.144 0.367 10.584 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 -24.807 34.984 -16.318 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 7.902 -9.261 2.855 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 11.079 4.283 -19.666 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 -4.684 -7.453 -9.295 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 6.234 0.020 4.521 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 -6.692 3.316 32.168 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 2.925 0.002 -4.781 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 1.463 0.375 3.744 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 -17.407 16.852 13.321 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 0.263 -13.061 8.232 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 -1.403 -1.605 0.457 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 -1.691 -2.776 6.623 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 4.316 -1.038 -9.950 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 2.802 -2.147 -7.880 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 -14.021 -10.103 3.784 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 4.244 16.601 -3.325 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 -2.261 2.353 7.304 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 -1.253 5.608 6.251 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 -1.595 -0.029 5.822 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 -2.479 -3.567 4.214 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 -8.895 8.024 4.320 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 -7.904 5.124 3.222 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 1.767 -0.713 -4.821 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 -20.500 -7.607 13.249 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 24.566 6.263 13.264 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 0.454 6.182 4.323 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 -1.624 -0.722 -2.053 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 4.542 -10.411 1.170 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 1.829 -1.448 1.246 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 19.020 9.648 4.867 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 -14.125 4.919 9.373 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 -0.465 0.506 -2.497 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 2.399 -6.399 -2.199 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 -9.394 -17.266 4.478 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 0.311 -3.669 1.807 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 2.231 2.317 7.272 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 -9.592 -6.678 8.365 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 -2.077 0.674 0.098 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 -6.729 0.555 11.877 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 -1.395 0.581 2.144 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 -4.523 5.217 -0.955 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 -1.399 4.397 -9.253 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 6.008 -0.381 -24.406 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 5.570 7.869 -2.186 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 2.132 -4.931 13.537 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 -2.699 -16.430 10.175 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 -0.299 -4.253 -8.031 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 -3.140 0.090 -11.825 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 14.508 -2.000 -33.780 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 1.953 -1.839 -3.988 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 -3.420 5.840 -8.348 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 -6.710 -22.856 -7.349 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 0.298 2.284 -0.009 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 -5.143 5.287 -0.018 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 -6.398 -7.338 9.383 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 -4.430 -2.139 0.369 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 0.714 0.804 5.020 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 -11.504 -1.229 23.448 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 3.840 -4.546 -3.143 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 -9.511 -11.421 -7.663 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 3.837 -21.905 -7.822 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 -3.139 2.948 0.955 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 -12.980 14.120 7.240 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 -8.909 -8.376 14.515 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 -3.615 0.967 -0.666 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 -8.566 0.060 7.810 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 -22.301 10.665 12.454 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 -1.014 0.466 -1.906 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 4.128 -4.322 -0.882 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 26.514 -51.388 -13.987 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 -0.056 3.724 0.061 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 4.093 1.709 -3.365 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 -9.030 -3.007 -9.902 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 1.475 0.741 -2.163 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 -1.920 -5.689 8.956 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 -18.752 11.903 -6.970 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 -4.956 -0.437 -5.128 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 -18.043 -25.867 10.736 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 9.464 2.853 -1.145 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 -1.716 1.212 0.145 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 2.370 14.369 8.261 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 -6.438 -4.050 -1.405 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 -0.501 7.312 3.050 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 1.397 -0.565 3.189 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 30.625 -11.852 5.496 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 3.495 -1.538 -5.241 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 -10.210 -16.676 0.917 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 12.463 -5.157 9.190 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 -2.552 4.093 0.875 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 -7.515 5.657 4.951 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 1.486 3.500 -2.353 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 2.059 -3.474 2.300 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 13.893 -6.434 1.891 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 -1.129 -2.440 2.318 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 0.776 1.747 1.845 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 -5.060 -1.658 9.459 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 -19.396 -0.742 17.287 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 -5.417 1.003 0.536 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 -12.180 -10.866 -27.762 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 -3.184 2.121 -10.759 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 -0.426 0.719 3.461 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 11.737 -3.950 -15.001 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 -18.002 19.678 -9.245 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 -5.169 0.985 -8.616 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 8.210 -14.653 9.378 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 -8.272 3.930 -16.122 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 1.872 -1.531 -0.865 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 5.096 -0.350 3.938 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 16.956 0.970 16.483 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 7.403 5.625 5.535 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 -3.233 7.409 -6.117 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 -18.661 -16.849 26.759 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 6.900 -5.143 1.334 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 4.376 -0.818 1.875 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 -11.715 16.014 -18.965 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 3.007 -7.340 -5.061 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 -5.475 22.751 -0.382 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 -3.974 -8.228 -7.760 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 -2.814 1.773 6.354 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 -3.178 -10.109 0.413 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 -12.487 2.773 11.115 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 3.128 -1.691 0.784 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 0.368 -11.343 -10.127 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 1.639 13.927 -0.742 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 3.182 2.330 1.620 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 16.530 -9.797 20.009 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 -1.889 6.701 -2.184 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 1.876 -3.976 -6.295 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 -2.041 -11.491 -19.040 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 5.804 -18.684 8.205 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 -1.974 -0.273 -5.668 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 -16.492 -14.652 -15.485 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 3.125 13.058 -30.212 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 -3.327 -3.990 8.725 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 -8.003 -8.660 19.268 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 -6.569 7.224 -7.101 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 1.625 4.823 3.483 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 23.155 -13.829 5.999 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 -20.870 -15.761 0.922 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 -0.535 6.138 -7.053 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 10.265 1.356 -5.057 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 -6.478 -3.128 -10.786 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 11.071 -1.932 2.556 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 -10.186 -20.694 1.886 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 -4.322 3.801 -1.694 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 -1.511 -4.957 4.627 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 -10.983 -8.478 12.044 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 -7.072 -6.660 2.650 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 4.047 1.205 4.069 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 -2.341 -18.376 11.277 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 12.790 4.543 6.468 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 -2.795 0.098 4.198 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 15.893 -0.560 14.155 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 -7.343 -5.619 -1.514 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 -1.630 -1.983 2.641 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 -7.280 -0.163 -16.500 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 -12.596 -1.083 -1.627 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 -1.263 -5.471 0.788 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 -8.035 -6.374 14.179 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 12.760 1.243 3.891 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 -0.940 -6.834 0.756 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 16.719 -26.704 -14.510 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 -13.716 6.184 14.869 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 0.941 -7.210 2.031 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 -14.651 5.887 6.661 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 17.033 5.930 -1.862 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 -3.911 -4.172 -1.603 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 11.374 22.458 -23.700 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 -13.104 -11.686 3.925 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 6.598 4.095 -1.106 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 -5.195 -0.844 7.048 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 -7.973 12.311 10.291 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 1.973 8.282 -2.171 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 -3.566 -2.220 -8.607 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 -15.507 -10.705 -0.014 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 2.123 -0.217 -5.425 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 6.515 -17.878 11.521 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 -0.024 6.584 -11.393 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 1.310 1.105 -1.441 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 -1.018 5.340 -0.612 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 9.771 7.229 -7.885 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 -5.586 2.504 7.654 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 -13.443 6.470 2.771 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 3.331 0.557 12.017 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 1.573 -4.251 -0.242 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 -7.079 1.390 5.747 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 -13.632 5.939 9.692 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 1.541 -5.218 4.771 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 6.337 -4.131 3.506 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 -31.871 -1.986 -1.474 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 1.302 2.630 1.700 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 0.935 -7.914 3.477 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 -15.453 27.266 1.336 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 -0.678 -0.657 -0.059 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 -18.755 -33.506 18.848 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 -1.050 -7.157 6.586 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 -0.727 0.771 0.466 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 9.282 -14.973 14.850 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 8.940 -6.855 -21.676 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 -2.104 2.449 -6.842 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 -7.634 -20.712 -12.658 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 -2.903 -5.929 -9.575 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 -3.250 -4.229 0.949 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 -6.290 -7.954 -0.405 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 6.446 -11.507 8.013 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 0.100 5.143 1.382 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 11.520 -1.134 -13.389 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 -13.963 -8.773 7.047 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 5.845 4.807 -3.392 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 -14.925 -6.602 12.288 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 -4.488 -2.485 2.196 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 3.534 0.843 2.021 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 19.136 3.340 17.257 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 -1.236 24.072 -19.276 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 7.712 1.836 -3.454 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 6.450 -23.551 -3.088 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 -9.313 -5.018 -10.453 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 -1.663 -1.801 -3.493 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 -11.077 29.585 -10.105 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 -2.533 19.288 -3.398 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 -3.371 -6.263 0.079 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 -8.729 -8.652 -4.094 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 -0.314 -11.761 0.704 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 6.526 -3.928 -2.088 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 -9.150 -3.397 0.426 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 12.199 -4.282 -12.071 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 -7.417 -1.667 6.756 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 -15.783 -6.588 11.802 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 -13.293 -5.670 1.156 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 -1.120 -8.828 -0.646 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 14.087 3.685 4.741 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 0.085 -7.562 9.061 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 -4.514 1.542 4.658 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 5.206 -5.508 5.987 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 -15.260 -5.361 5.611 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 0.252 -1.053 -1.839 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 -9.106 0.449 5.359 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 -1.528 -5.465 2.741 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 -0.983 1.743 2.619 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 -4.136 -11.599 -8.750 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 6.693 -0.261 -3.772 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 -3.206 6.050 -6.382 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 -7.437 7.457 14.336 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 -7.000 12.293 3.988 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 -6.671 2.972 -4.476 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 -16.582 6.104 -6.286 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 -1.497 0.999 2.535 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 -2.087 0.739 -4.404 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 -5.457 -4.619 -7.681 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 -3.978 -2.934 -12.815 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 -4.721 -2.069 -3.257 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 0.503 5.735 -0.231 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 -0.148 8.972 -0.172 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 4.562 -0.071 0.816 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 1.513 -0.030 -0.784 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 21.706 -7.979 18.503 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 -6.025 -0.870 -2.721 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 2.095 8.070 -9.453 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 8.092 -1.942 9.828 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 4.711 4.634 -0.274 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 -2.967 13.259 -0.720 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 10.104 6.630 8.295 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 7.677 0.190 -2.237 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 13.247 10.056 -24.559 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 -2.567 -8.296 0.489 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 1.219 -7.648 -3.400 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 -4.672 -20.382 5.593 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 -10.660 1.130 -8.562 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 -0.053 3.134 1.559 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 -14.614 12.966 5.210 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 7.309 -7.425 1.834 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 4.464 5.677 -0.404 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 -38.382 2.438 5.115 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 4.429 -0.553 1.001 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 1.508 -2.498 0.364 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 -5.452 -1.158 10.968 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 12.598 23.337 0.408 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 -4.242 -1.369 3.708 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 -3.331 3.160 5.239 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 -10.490 -16.275 -3.630 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 3.459 -0.113 -3.584 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 5.792 4.600 -0.659 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 5.184 3.311 -2.200 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 -2.154 -2.760 -2.074 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 -2.443 -0.370 12.893 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 -9.111 -8.080 0.420 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 1.277 2.064 -4.186 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 16.393 -20.758 5.473 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 -6.088 -2.311 3.495 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 0.010 2.145 -2.034 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 -5.204 18.421 -6.551 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 4.962 -19.239 -0.127 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 2.891 -0.734 -2.452 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 -6.963 -6.800 -4.239 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 4.217 -6.878 5.056 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 -3.617 -0.590 -5.459 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 -2.155 -0.387 -5.082 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 1.840 -2.886 7.718 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 4.825 -0.879 -0.035 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 8.357 7.200 -12.616 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 11.673 6.322 9.851 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 1.712 -0.638 3.887 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 1.241 -10.457 30.035 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 -6.299 -24.231 8.812 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 6.647 2.505 -4.142 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 -8.526 -7.981 2.980 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 9.968 15.368 -17.781 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 4.524 2.742 -7.262 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 10.555 -3.544 -0.077 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 29.013 -17.984 8.878 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 1.781 -5.604 7.541 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 -11.128 9.850 -15.196 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 3.870 14.184 13.683 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 5.405 -0.334 0.823 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 -1.075 -1.461 20.068 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 23.373 -2.924 -7.447 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 -0.416 -5.216 -3.386 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 3.910 -7.817 -7.078 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 -2.123 -8.204 -4.797 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 0.984 -0.225 -1.857 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 10.213 6.532 -2.435 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 -2.943 -8.785 4.623 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 0.073 -0.858 0.819 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 -3.475 -5.594 -14.490 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 24.485 -6.820 12.652 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 0.511 6.953 6.000 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 -12.462 12.921 8.551 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 2.485 3.212 21.462 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 -0.111 0.328 2.706 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 1.122 1.328 2.921 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 1.039 10.079 -4.018 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 1.015 -5.826 0.101 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 8.128 -7.294 0.281 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 11.650 -2.692 1.032 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 -5.543 1.946 2.076 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 -2.003 27.809 14.011 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 -5.547 8.946 3.423 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 1.674 -0.087 4.724 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 12.166 2.533 -2.740 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 6.290 2.071 3.777 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 -4.939 -0.709 -2.259 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 -7.572 1.664 -10.504 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 -2.005 9.606 -25.667 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 -0.801 2.550 -8.987 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 -4.500 8.901 6.723 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 -7.855 5.242 -27.382 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 2.789 -0.764 -5.944 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 -7.911 -9.983 -14.639 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 -10.545 -21.080 -17.364 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 1.966 -4.479 0.134 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 -0.674 2.308 9.199 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 1.971 -8.841 -7.670 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 -3.349 -2.741 -2.194 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 0.974 -2.946 -3.505 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 -4.958 -2.048 -7.038 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 3.076 1.360 -3.518 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 -22.217 -6.453 0.580 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 30.261 -5.990 -3.965 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 1.839 -8.294 1.722 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 20.865 4.970 -7.811 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 -15.586 -10.028 19.599 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 -0.062 1.583 -8.625 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 5.476 20.257 -10.391 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 22.077 12.614 15.830 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 3.363 -3.027 1.593 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 -5.105 -15.588 -10.291 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 5.876 0.576 3.896 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 0.817 6.595 -1.113 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 6.596 14.710 13.858 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 5.648 -5.431 -13.070 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 -4.012 5.909 -10.158 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 -8.845 5.561 9.609 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 -7.749 7.857 -2.131 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 3.819 -4.308 6.823 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 6.542 -9.830 -0.227 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 -1.508 2.478 8.308 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 9.475 -6.495 -2.999 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 2.715 -9.561 -9.377 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 19.120 -2.974 1.825 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 0.406 -1.622 -0.438 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 -10.796 -3.132 22.340 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 -7.221 1.508 -28.500 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 -1.801 -1.707 6.438 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 -20.636 16.093 23.679 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 11.481 4.520 -26.085 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 -1.522 -3.728 -7.176 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 7.059 8.417 25.323 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 2.218 -10.006 5.163 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 0.766 1.693 -4.847 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 0.022 -1.561 -2.347 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 9.386 10.248 -21.628 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 5.566 0.581 0.244 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 11.861 16.604 24.228 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 -9.029 -6.942 -25.603 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 3.772 7.720 -1.234 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 8.253 4.476 -4.098 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 6.484 6.010 -10.421 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 0.748 -1.316 4.349 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 -12.278 -6.171 8.424 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 2.762 -11.892 -11.591 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 -4.136 -2.428 4.919 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 -2.921 -1.260 -3.865 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 -8.860 -7.295 13.660 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 -0.615 -1.805 -5.166 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 4.270 -9.969 2.013 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 -20.248 3.492 0.068 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 2.687 6.682 3.723 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 -7.917 7.433 -2.543 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 2.112 -1.093 10.439 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 -3.751 -0.067 -4.913 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 -19.242 6.199 -4.319 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 -0.583 -9.072 6.905 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 0.879 -0.278 4.145 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 10.475 -12.899 -24.971 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 6.442 -33.503 -22.621 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 -4.338 1.292 -8.952 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 9.820 0.207 -7.190 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 0.175 4.967 -10.229 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 4.433 -1.524 0.808 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 -13.505 4.486 5.284 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 -31.390 11.273 8.846 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 5.414 4.923 3.241 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 15.606 -17.784 -1.335 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 11.960 2.362 3.720 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 -3.826 -1.191 4.271 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 -8.321 0.655 -0.088 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 0.035 1.263 13.622 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 -0.383 0.232 -5.432 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 -7.039 -12.826 -0.381 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 -22.954 -2.644 4.550 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 -3.165 3.841 -0.662 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 11.194 -23.887 3.160 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 -9.008 6.410 11.574 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 -3.474 -4.840 6.882 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 -33.773 -7.265 12.137 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 7.450 -21.700 18.386 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 -2.457 -0.290 0.334 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 0.347 -12.465 -8.820 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 -8.283 0.941 -2.761 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 0.134 0.614 -1.435 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 4.609 -12.911 -17.960 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 4.580 18.663 -4.982 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 6.439 -1.392 -4.749 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 -2.614 -13.758 -1.440 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 -0.740 16.614 -1.213 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 8.856 -8.128 0.058 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 3.138 -20.969 -2.766 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 15.174 -5.069 2.955 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 -0.250 -7.551 0.037 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 -1.974 -3.338 -1.235 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 -27.833 -5.354 -9.351 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 -3.153 3.839 -2.473 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 12.026 1.176 1.097 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 -30.450 24.022 10.362 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 4.069 -2.758 2.714 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 21.338 -9.847 3.194 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 6.809 -3.779 3.487 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 0.819 7.618 -2.114 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 2.760 -3.437 10.880 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 -4.195 11.281 -10.201 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 5.792 3.920 2.294 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 19.341 8.935 -0.009 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 -2.515 6.943 5.947 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 0.719 1.041 -2.434 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 3.177 -1.925 -4.846 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 -0.354 7.024 2.824 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 4.658 0.113 -5.711 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 -17.622 8.990 15.411 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 -4.480 -12.292 4.013 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 -1.013 8.375 -0.390 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 -0.513 0.750 18.299 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 -0.236 -0.923 22.765 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 0.430 -4.111 0.433 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 3.494 2.947 8.306 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 2.713 3.023 6.582 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 1.721 2.434 9.079 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 7.181 4.855 8.732 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 1.144 8.193 12.827 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 1.275 1.018 3.766 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 12.483 1.412 -13.477 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 2.109 -21.998 -6.060 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 5.563 -11.071 1.334 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 -2.638 12.353 9.373 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 -11.103 -20.525 -17.865 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 4.721 3.815 1.690 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 -25.671 -3.074 -6.585 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 -6.236 -1.946 0.105 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 -1.203 4.051 -2.347 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 -4.786 10.800 -10.442 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 -1.934 4.493 2.412 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 4.293 -4.110 -0.038 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 6.078 -0.455 -4.522 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 2.482 -3.433 -10.753 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 -6.077 2.176 4.059 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 -6.838 -13.100 -2.480 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 8.592 -1.525 2.635 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 -5.909 -4.177 -1.590 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 -4.498 -1.307 -1.099 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 -6.517 -1.458 -2.284 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 -1.782 -0.598 -0.484 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 -1.390 6.539 0.448 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 0.943 -10.476 -4.950 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 0.641 0.842 0.202 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 -11.013 7.440 23.174 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 -4.537 3.916 11.189 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 0.562 -1.990 -4.459 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 -3.763 2.552 -9.739 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 -2.594 -0.910 13.371 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 -0.793 -0.416 -5.890 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 8.770 -0.084 0.038 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 -5.529 -0.100 -9.487 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 0.772 -4.121 1.057 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 9.552 2.288 -5.825 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 1.611 -3.829 15.687 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 4.296 -3.281 8.332 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 -12.034 -22.442 3.098 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 10.319 -4.624 16.109 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 -1.630 3.308 -4.171 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 14.273 -6.232 6.328 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 20.269 -14.035 12.282 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 2.579 -7.151 4.277 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 -6.641 5.122 -11.338 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 26.942 -7.049 1.685 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 -2.308 -0.315 0.777 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 -0.265 -5.429 0.479 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 4.289 21.405 14.730 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 -5.512 3.246 -0.368 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 4.352 23.314 6.904 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 -9.612 -14.520 0.746 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 -1.386 -5.183 1.705 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 -2.836 -1.871 2.046 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 -6.087 2.847 0.246 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 2.122 4.219 -3.963 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 3.846 -11.769 -0.877 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 5.919 -10.508 -3.387 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 -0.238 2.265 4.165 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 29.986 13.415 16.855 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 -0.820 -3.511 -6.471 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 -0.541 1.426 8.441 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 -9.746 -19.935 10.246 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 -3.002 -5.750 17.262 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 -0.294 -2.720 -0.128 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 4.055 -4.048 18.182 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 -12.309 9.256 0.117 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 2.932 2.067 -4.016 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 -8.853 -8.628 12.065 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 -47.505 -8.140 -26.320 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 2.535 0.536 4.122 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 -34.591 -42.471 3.174 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 -6.698 14.448 12.519 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 1.489 10.910 2.815 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 13.225 9.276 -6.010 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 12.481 9.440 -5.835 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 -1.312 -3.205 1.715 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 -9.770 8.287 9.075 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 9.960 -12.890 14.767 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 1.855 4.604 -0.828 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 -10.263 4.106 -15.756 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 0.251 -1.593 -1.438 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 1.149 3.060 5.552 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 -19.071 -29.805 16.202 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 9.640 18.861 -0.781 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 7.197 -4.983 3.534 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 2.222 8.235 17.267 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 20.667 1.818 -1.610 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 -2.402 5.670 -4.019 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 -23.128 -15.183 -29.775 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 8.201 9.371 14.999 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 3.195 -1.788 -2.056 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 5.673 -21.143 -4.355 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 -28.688 22.831 14.015 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 4.735 0.197 0.197 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 -27.617 -5.418 -13.212 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 12.160 -1.899 6.797 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 0.586 0.456 -4.879 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 -15.521 2.763 -1.294 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 7.477 -2.237 9.459 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 4.084 -3.734 -0.131 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 18.647 -11.279 0.074 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 5.606 5.456 9.785 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 1.522 1.439 0.693 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 21.769 11.726 6.207 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 -12.563 -22.946 8.847 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 -0.184 -0.363 -3.010 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 -16.918 12.989 28.604 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 14.791 -19.207 5.756 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 -2.176 -3.034 -6.808 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 -4.044 -6.162 -2.660 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 -9.467 0.286 -22.448 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 -3.356 4.851 -1.616 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 -26.494 7.542 18.740 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 -4.903 7.364 5.313 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 0.225 -0.827 -1.703 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 -0.324 9.222 -4.216 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 15.416 -18.151 12.433 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 3.358 -6.343 2.593 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 21.729 -28.270 1.501 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 -6.367 -4.849 10.590 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 2.910 -1.262 -2.726 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 -16.004 -0.747 -10.777 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 7.787 -1.892 -14.678 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 -0.741 -5.693 -6.396 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 0.294 0.530 -13.464 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 -4.731 -6.163 -5.084 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 -0.261 4.489 2.091 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 -6.506 -21.856 10.214 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 -3.209 -14.623 -26.065 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 4.223 0.689 -0.498 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 4.427 0.619 -0.555 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 -7.863 -11.217 5.116 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 -1.046 -2.064 0.301 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 -1.925 14.207 13.712 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 -3.287 9.080 -3.461 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 -2.398 -4.546 -3.231 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 -7.487 6.976 -0.625 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 -8.449 -20.981 16.270 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 1.196 0.942 9.308 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 5.865 2.959 7.252 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 12.169 0.041 -2.238 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 3.342 1.121 1.985 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 11.500 7.627 0.699 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 6.953 -26.305 -10.189 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 1.759 -2.365 0.124 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 -8.369 -9.767 -0.454 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 19.029 25.402 -12.337 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 -4.501 6.691 2.024 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 0.617 -6.268 0.125 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 -20.559 -4.765 -2.642 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 7.121 7.203 -0.515 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 -2.675 4.014 0.113 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 -1.837 4.820 18.790 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 4.280 -1.977 2.660 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 4.404 -0.342 14.201 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 -2.562 -3.240 18.353 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 -0.238 -4.067 -1.635 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 -6.711 -6.357 8.814 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 -7.577 -4.470 24.331 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 -7.370 1.574 -1.458 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 0.052 -3.294 -2.009 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 10.373 -10.735 -11.424 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 -3.208 -5.897 3.871 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 -1.926 16.002 -17.866 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 -24.523 -7.355 5.746 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 4.551 2.538 3.459 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 16.924 9.231 10.138 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 -10.361 7.255 13.444 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 -5.140 4.578 4.346 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 -10.972 -3.051 22.176 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 -19.513 11.653 -3.824 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 0.627 0.832 -3.492 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 4.311 32.925 -35.454 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 4.151 -18.828 3.676 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 -4.870 4.655 11.474 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 -12.874 -5.750 4.045 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 1.114 14.322 20.025 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 -3.222 -0.836 0.923 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 2.868 8.638 -0.248 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 -17.279 -22.181 4.771 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 -5.831 0.086 1.304 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 3.985 -11.019 11.723 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 -2.457 -6.652 6.950 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 -4.336 1.287 6.497 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 1.419 -11.588 13.017 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 -11.139 7.115 14.081 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 13.369 -5.525 3.676 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 18.056 -12.083 5.987 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 -4.681 -19.511 13.540 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 1.148 -3.981 5.234 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 20.004 -11.317 3.187 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 -11.820 -6.059 -11.154 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 0.298 -1.932 1.897 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 -8.413 4.393 -4.501 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 -0.674 -4.751 4.934 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 -1.432 -1.598 0.058 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 -10.605 7.414 -5.749 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 -18.223 10.451 1.745 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 2.646 6.692 -5.451 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 22.791 -7.858 15.004 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 -4.851 -0.893 6.119 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 -3.731 -1.227 7.125 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 -4.371 1.859 3.287 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 -5.125 -5.084 9.667 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 -2.290 -0.009 -1.538 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 12.058 -20.130 -4.762 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 8.776 17.433 3.287 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 -4.154 -7.089 -0.213 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 2.256 -7.201 26.598 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 6.168 -3.441 -2.937 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 -3.019 6.187 -7.736 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 0.709 17.019 -6.049 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 1.448 19.832 -7.290 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 -0.646 0.754 -3.151 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 9.675 -5.565 3.635 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 1.480 0.479 -4.987 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 -2.362 1.137 -6.060 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 -12.657 -17.264 2.444 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 15.023 11.248 3.884 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 -5.126 -2.560 -4.459 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 -1.081 0.570 -5.948 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 -8.974 0.107 -5.010 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 -0.136 -3.414 3.343 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 -10.709 -13.521 4.190 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 -14.364 -15.685 8.608 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 -2.285 0.214 2.532 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 11.823 -6.364 -5.612 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 7.142 3.085 9.477 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 4.494 -0.467 -6.851 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 2.568 -4.847 -14.004 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 11.248 -17.820 3.987 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 0.475 1.819 5.548 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 2.040 13.481 6.402 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 -3.896 6.739 10.702 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 -5.784 3.289 -3.941 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 18.660 -7.955 7.932 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 13.596 -10.402 7.792 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 0.372 -0.595 1.166 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 10.751 -2.528 -18.694 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 14.885 3.497 -5.921 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 0.806 3.690 2.914 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 -10.669 4.521 -0.493 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 33.077 3.043 13.437 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 1.393 0.347 0.298 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 1.266 2.206 4.619 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 0.849 -0.942 -4.082 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 -7.676 -2.746 -4.711 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 -6.889 -6.865 1.602 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 -7.789 3.866 -11.547 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 0.736 -2.033 -5.084 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 -2.652 -23.306 -5.504 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 1.752 1.482 -4.115 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 8.153 6.472 -0.864 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 -31.324 5.194 -13.385 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 7.243 -3.458 17.353 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 8.927 4.514 -0.134 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 -8.932 11.713 1.700 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 4.232 -0.605 15.965 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 -7.851 2.862 6.844 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 3.658 -12.977 6.496 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 -10.309 -9.408 8.329 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 0.105 -1.479 0.168 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 -0.834 16.313 -0.138 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 16.128 1.717 -21.744 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 -3.433 -1.928 -3.725 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 30.638 3.199 -5.133 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 14.154 7.462 10.255 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 -0.401 -5.382 -2.225 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 16.579 -20.429 -3.114 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 -2.877 20.403 -6.499 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 -0.796 -10.627 3.817 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 4.833 -3.491 2.445 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 -5.912 -16.563 3.452 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 -4.961 3.756 1.561 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 -4.141 5.597 0.079 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 3.159 8.572 0.236 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 -4.907 -5.803 3.313 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 -16.739 5.669 -13.256 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 5.332 -10.732 3.457 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 1.700 4.575 0.132 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 0.975 -0.155 2.067 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 2.520 5.342 1.005 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 3.342 5.581 -1.738 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 15.236 15.451 27.228 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 -38.201 14.131 8.010 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 -0.230 4.627 -0.954 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 -3.563 7.337 1.384 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 -0.094 5.153 10.184 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 -1.901 -0.086 3.693 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 -1.779 -0.747 3.925 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 -2.630 -4.023 14.785 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 -6.321 11.065 1.667 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 0.336 5.928 -0.769 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 0.332 -4.799 4.352 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 0.483 0.319 -1.175 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 1.420 1.315 -7.970 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 6.217 -3.722 0.535 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 -3.256 -1.797 3.551 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 -4.107 8.667 -2.971 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 0.506 2.932 -2.859 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 5.391 2.818 -2.141 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 8.205 -1.015 -7.852 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 10.862 22.001 0.654 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 -6.551 3.000 0.266 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 0.572 4.485 -9.386 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 -1.739 3.973 -10.583 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 2.336 -1.962 -0.655 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 -0.634 -10.455 13.783 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 -14.210 -11.587 26.843 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 -0.629 6.559 4.087 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 -21.128 6.209 10.277 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 3.988 2.238 2.096 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 7.262 1.034 0.094 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 1.188 -10.606 -11.038 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 0.038 12.071 -6.375 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 3.280 -0.835 0.267 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 -3.665 9.014 -1.733 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 17.294 7.961 1.070 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 2.525 -0.167 -1.064 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 7.323 8.283 11.445 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 -4.909 7.465 16.741 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 4.450 7.115 -2.871 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 13.656 -12.308 -4.448 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 -11.288 9.659 -17.379 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 -3.376 -1.502 -1.096 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 4.170 15.622 18.348 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 16.540 -11.294 -8.354 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 5.674 -3.087 -4.615 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 7.493 -14.751 -16.864 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 -10.758 0.591 -4.462 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 2.508 -2.355 -0.347 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 27.656 -22.868 19.343 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 7.903 8.432 1.958 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 -5.566 -0.661 6.240 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 -27.228 1.795 -14.776 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 2.380 -5.721 5.138 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 -5.783 -1.411 -2.393 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 -9.571 3.219 -8.210 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 -14.207 2.718 14.064 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 8.380 -1.180 2.171 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 -6.189 -9.634 -6.348 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 -0.871 4.732 9.150 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 3.085 -5.292 4.125 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 -31.205 18.756 14.251 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 -3.546 -3.368 -7.392 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 -2.540 -0.450 -6.168 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 -7.007 -6.401 -10.919 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 -0.687 -1.369 17.907 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 -2.755 0.190 -2.842 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 -8.979 -10.159 -9.214 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 -5.458 -0.912 10.670 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 -1.457 -4.994 -2.109 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 3.667 -9.976 -1.082 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 -14.881 3.029 -21.765 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 3.452 3.385 -1.806 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 18.231 5.926 3.176 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 -6.605 9.013 13.113 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 -0.677 -4.725 -7.572 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 -3.774 10.940 -23.778 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 18.970 -6.592 -0.131 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 6.740 6.257 5.917 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 18.859 -9.198 0.269 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 0.504 -3.344 -11.648 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 2.044 2.182 4.062 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 5.611 7.680 6.692 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 8.843 -5.728 -12.557 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 -5.710 4.420 2.248 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 17.893 -8.214 32.119 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 -11.674 19.878 -6.690 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 6.104 3.679 3.949 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 10.952 13.835 0.330 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 6.450 -2.347 11.669 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 -0.883 1.811 -1.344 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 -13.417 16.200 -7.067 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 -9.105 -45.214 23.588 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 -4.904 -0.414 -6.803 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 -25.230 -8.396 -6.003 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 12.794 20.423 0.359 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 1.265 -3.367 -0.029 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 -7.789 8.280 12.594 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 4.662 -4.346 -3.568 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 4.468 -0.702 -1.988 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 -6.863 -5.966 5.622 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 1.787 5.981 -16.636 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 0.425 1.165 -0.489 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 -24.110 -2.367 12.168 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 9.346 1.133 12.721 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 -2.710 0.374 3.330 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 -12.113 -10.170 -4.005 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 4.549 11.143 -21.130 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 5.542 6.062 3.323 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 5.371 2.314 1.464 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 10.353 14.911 6.411 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 0.345 -1.460 1.740 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 2.532 -6.096 12.468 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 4.024 -3.337 8.485 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 -2.450 1.688 -0.550 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 -0.542 -13.864 -13.146 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 1.835 13.378 -16.895 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 -0.881 2.107 0.082 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 4.953 21.850 -10.492 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 -5.521 -9.583 1.752 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 3.565 5.482 1.834 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 10.254 -20.206 3.350 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 -15.891 11.494 -1.491 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 -8.863 -3.112 -1.376 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 7.393 -21.246 4.800 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 -9.950 6.368 11.346 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 4.101 -0.392 -1.497 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 -8.017 25.501 3.883 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 -15.532 -0.733 7.329 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 0.464 -7.659 -1.440 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 12.625 -7.816 -8.379 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 -11.686 -0.052 1.109 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 -0.258 5.302 -2.986 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 11.960 -0.008 13.031 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 -4.345 13.735 17.633 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 -0.922 -2.709 -0.044 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 5.248 -10.257 -15.888 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 1.121 -3.178 -7.459 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 2.104 -1.254 -6.774 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 3.381 23.756 -16.608 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 10.071 -0.419 16.282 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 0.222 6.452 3.814 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 9.615 -15.606 -2.412 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 8.998 4.811 4.261 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 -2.304 -0.416 -5.948 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 -0.762 -2.371 -9.579 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 3.449 -14.554 -11.556 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 5.339 3.022 -0.721 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 7.827 6.606 -7.162 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 9.574 5.246 -16.713 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 2.462 -1.332 -0.079 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 -20.888 -11.531 0.808 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 -4.708 6.115 -22.573 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 1.626 -1.860 -4.507 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 -0.941 14.206 17.990 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 16.685 1.749 -16.351 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 0.998 8.172 -2.306 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 9.820 14.211 -5.526 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 -10.310 -4.389 8.283 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 -0.722 2.252 -2.906 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 5.003 2.185 5.899 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 2.162 6.044 5.734 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 1.232 1.818 4.492 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 -6.530 39.937 0.441 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 -3.221 -2.912 -12.378 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 -3.880 1.914 -2.628 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 8.931 1.128 4.826 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 13.489 -4.860 -2.079 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 -3.119 -4.284 6.100 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 11.536 6.234 12.576 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 -6.629 1.674 -23.934 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 5.472 1.823 -2.235 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 6.915 10.025 0.111 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 -2.267 10.769 2.371 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 4.084 -4.144 0.370 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 7.794 -9.877 8.370 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 -7.575 -34.471 6.285 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 -1.354 -0.395 -2.571 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 -8.856 9.593 4.941 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 9.601 -10.056 -24.913 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 0.131 4.101 0.595 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 -6.140 18.599 -2.515 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 -6.664 22.495 -11.506 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 3.076 0.937 -0.374 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 0.355 -5.171 3.035 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 0.626 -13.790 7.747 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 -1.951 9.300 0.441 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 14.245 -6.652 -15.764 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 17.548 -11.689 -15.149 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 -2.351 -2.316 2.797 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 -0.050 -13.349 -9.096 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 0.925 -4.833 -5.676 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 1.427 7.805 0.468 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 -11.230 -2.528 -10.278 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 -13.014 -3.799 -10.895 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 2.017 0.067 -4.531 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 3.266 3.383 -9.105 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 -0.332 4.294 -8.776 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 3.820 0.598 -4.909 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 -4.889 -23.033 -7.892 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 4.191 -7.787 13.041 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 -3.385 2.364 -2.870 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 10.720 -9.682 -2.290 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 -6.027 2.917 -4.539 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 -8.095 0.288 -0.507 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 -22.011 7.070 2.471 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 -12.137 -3.068 0.201 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 2.852 4.923 8.610 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 9.670 0.398 -2.961 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 -0.340 6.947 11.772 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 -2.453 -3.155 0.302 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 -24.334 2.722 13.181 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 -16.302 -3.535 -8.326 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 4.823 -4.249 6.162 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 8.502 -8.516 13.217 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 -2.040 -17.105 -5.993 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 -0.737 -4.710 -1.716 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 -14.266 -3.888 -0.987 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 -7.100 17.103 -5.007 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 -8.235 0.994 -4.036 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 2.449 6.484 6.698 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 13.158 10.618 5.728 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 -4.263 4.656 0.614 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 -3.253 2.443 4.272 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 -7.883 -6.727 4.428 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 3.824 -1.379 -0.355 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 -6.386 17.006 -3.996 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 15.599 -7.108 -19.516 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 2.918 -6.545 4.721 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 -0.474 4.279 -4.337 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 12.771 -15.413 -2.477 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 2.319 -0.303 -3.235 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 7.400 -21.935 -4.039 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 10.981 -5.049 -8.366 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 -1.538 1.064 -7.264 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 -24.463 5.128 19.180 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 -28.370 0.156 15.778 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 3.671 -1.949 2.667 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 -3.819 -8.556 4.196 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 10.673 -2.554 -6.710 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 -1.842 2.095 -4.864 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 -6.236 -6.505 9.912 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 29.459 -2.169 -2.199 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 0.705 5.969 4.908 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 4.243 7.425 3.828 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 1.182 5.489 1.869 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 3.946 -3.451 4.281 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 -27.749 14.070 15.721 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 22.293 -16.307 -3.519 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 2.781 4.762 2.884 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 4.552 35.966 2.307 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 1.198 1.618 -3.163 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 5.500 -2.408 5.412 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 10.584 4.569 24.243 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 16.631 10.090 -8.431 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 7.074 1.016 1.721 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 23.902 5.728 -13.000 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 -0.616 -1.490 -0.123 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 4.728 -1.064 1.184 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 -2.900 -3.989 -5.491 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 8.179 7.673 -4.572 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 -1.603 -4.475 -5.452 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 -10.921 -5.359 -1.322 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 24.486 -4.845 -0.244 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 -3.763 3.020 -6.372 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 -1.249 3.205 -28.730 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 17.200 5.907 1.523 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 -0.894 2.864 3.971 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 -6.115 7.086 2.557 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 3.249 -11.301 -11.970 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 2.389 0.848 -3.454 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 -7.328 2.817 10.202 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 -0.625 15.276 -8.711 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 2.856 -0.958 -0.257 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 19.551 15.491 -15.228 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 -6.719 -10.155 3.574 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 -0.647 -2.761 -0.131 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 20.362 6.220 5.324 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 -15.462 -3.320 15.093 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 0.478 -3.734 -1.734 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 -2.556 1.488 -1.910 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 14.857 -15.595 -5.221 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 -5.520 -1.947 5.047 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 -15.197 -3.286 5.723 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 -13.920 5.907 -0.100 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 1.252 -1.442 3.383 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 -13.869 28.546 13.250 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 6.953 9.198 5.855 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 2.216 3.743 -2.217 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 0.760 4.538 -2.349 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 -3.014 -0.283 9.386 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 1.452 -6.721 0.960 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 -10.215 -9.315 5.369 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 12.854 -0.659 1.497 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 -2.878 -4.685 6.769 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 -2.075 -8.410 -10.643 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 -0.323 -9.856 2.258 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 -3.940 -8.020 -0.543 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 -9.574 -4.500 -10.094 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 1.543 -1.984 8.613 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 -0.984 -1.912 -0.686 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 -5.734 -0.021 -7.374 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 14.029 13.509 -8.169 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 -3.052 -11.422 -4.971 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 -11.934 -10.285 2.903 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 6.957 -13.472 0.295 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 -0.899 -1.401 1.680 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 -4.535 -2.582 -10.640 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 -6.177 -5.904 5.309 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 1.233 -0.830 3.813 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 -12.970 -10.372 15.194 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 8.641 3.056 -2.443 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 2.890 2.876 6.083 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 -5.778 2.824 5.191 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 7.149 6.661 -8.866 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 0.902 -5.981 -4.936 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 -4.212 -7.996 -6.744 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 3.695 -9.330 -9.139 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 -2.527 3.460 -1.141 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 5.686 6.992 8.297 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 -13.101 -7.058 5.798 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 -1.067 -2.273 -5.456 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 -9.147 8.604 12.704 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 -0.414 -4.138 14.030 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 5.410 -2.735 0.240 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 -5.838 11.155 5.811 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 22.742 3.182 13.305 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 -8.906 -1.007 -5.517 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 10.409 4.927 -8.637 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 -8.335 -15.825 8.358 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 -2.315 0.421 0.786 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 -13.781 3.272 -1.218 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 6.037 2.828 -10.628 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 3.470 4.543 2.801 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 6.963 -16.092 -0.916 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 5.108 -3.723 -7.597 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 -0.006 -2.134 -2.923 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 2.456 21.725 -19.568 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 8.106 -11.295 -13.940 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 3.789 -2.489 -0.480 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 11.069 -9.040 -30.600 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 -0.219 0.354 17.488 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 -4.119 -2.141 0.439 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 11.737 0.614 -34.084 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 -6.958 19.899 25.046 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 -5.268 -3.074 7.994 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 10.302 21.455 15.043 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 15.769 9.277 15.728 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 -7.655 0.839 -5.021 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 -6.824 6.657 -0.652 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 -5.024 0.410 4.849 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 -1.091 0.924 -1.054 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 7.835 5.336 -4.591 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 0.010 -9.745 -6.005 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 -4.073 3.391 2.387 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 0.040 10.927 -15.676 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 -3.137 4.291 -1.067 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 2.513 5.219 4.384 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 -0.692 -9.812 -4.357 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 4.191 22.565 0.655 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 -0.016 0.460 -2.306 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 4.705 -4.903 10.769 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 -1.231 1.759 -5.531 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 0.356 3.964 6.961 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 -12.451 -13.199 -1.689 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 13.189 17.642 5.707 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 4.195 0.006 2.762 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 12.812 -36.173 -39.563 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 15.299 22.105 1.991 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 -5.552 -0.855 0.492 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 -15.474 -0.016 -13.863 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 -9.318 15.273 9.920 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 2.976 0.062 -7.529 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 -0.252 -4.204 10.645 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 4.484 5.883 -15.559 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 -6.035 -4.248 5.322 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 10.390 25.229 -16.563 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 28.175 23.677 -12.108 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 8.869 6.011 5.338 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 2.754 7.887 13.269 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 20.091 -7.285 9.277 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 7.202 0.641 2.071 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 10.249 1.892 -4.435 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 8.298 1.816 6.632 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 -4.147 -2.095 1.783 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 9.045 1.062 16.290 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 -16.785 -12.169 14.536 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 0.389 -1.755 0.188 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 -1.557 -11.292 -4.548 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 11.519 15.901 1.457 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 3.069 4.768 -1.550 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 8.873 -7.770 0.569 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 0.605 13.120 -4.782 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 1.049 -0.866 -0.782 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 -8.982 -17.688 -15.110 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 14.739 14.502 -5.954 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 -8.498 -1.075 -1.422 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 -8.441 4.015 -11.098 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 -13.020 -11.377 -1.198 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 3.734 -3.413 6.336 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 -4.295 -10.074 7.469 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 1.560 2.628 -0.476 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 5.812 -1.192 1.785 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 18.003 -19.140 -4.472 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 9.322 -5.377 -2.244 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 2.090 1.281 2.511 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 1.610 4.108 2.361 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 22.812 1.595 -13.594 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 2.672 -5.977 -1.379 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 7.544 -15.857 6.776 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 -10.707 -13.429 -8.857 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 -0.679 4.970 2.177 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 -4.495 -1.233 -5.574 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 -0.951 -6.869 -8.570 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 -0.393 1.264 2.760 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 -0.806 12.326 6.531 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 1.892 -1.358 7.936 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 1.462 0.228 0.853 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 11.017 11.605 7.011 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 -6.567 3.450 11.465 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 6.535 0.299 0.695 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 2.622 16.677 2.528 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 -8.490 -1.526 -20.770 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 -0.504 -0.111 -3.886 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 -15.535 -2.319 8.724 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 -12.631 7.861 10.664 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 -1.981 -0.792 0.346 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 -2.125 -9.275 0.104 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 -24.460 -6.076 8.358 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 3.144 0.469 4.416 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 -12.560 0.401 9.347 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 13.098 -13.085 10.379 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 -6.620 2.616 1.753 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 10.407 3.422 17.210 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 -23.518 -2.299 22.305 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 -1.652 2.258 -2.126 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 -1.239 -10.467 0.563 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 3.986 6.695 -0.562 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 -1.958 -7.506 -1.345 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 -12.368 1.863 -24.608 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 4.539 -18.579 -2.650 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 4.549 1.111 -1.617 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 -2.338 0.766 -22.799 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 3.433 -0.977 -1.236 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 -3.502 5.444 0.392 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 15.824 6.125 1.900 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 -6.511 5.601 12.155 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 2.898 -2.538 -1.611 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 10.997 5.296 -4.109 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 7.174 7.832 6.787 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 -4.115 4.909 3.947 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 -10.733 2.394 1.206 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 -1.335 6.280 9.074 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 -7.548 0.051 -1.586 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 -3.407 2.330 3.364 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 -6.378 -0.175 -2.709 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 -2.084 -1.573 0.936 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 -7.914 -6.851 0.296 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 -2.168 3.802 -7.061 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 -3.306 1.057 3.916 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 3.624 7.497 7.164 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 4.721 -13.147 19.126 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 -2.867 -4.275 2.917 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 -3.507 7.935 -19.707 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 -1.231 9.431 -38.337 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 2.416 3.734 5.369 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 -0.815 -14.836 2.069 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 14.956 -23.477 10.697 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 1.900 4.111 -2.814 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 7.823 -2.883 2.640 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 6.313 -11.935 -5.544 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 -10.196 1.776 -1.449 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 -29.774 -26.712 8.306 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 -4.799 -14.194 14.457 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 2.054 -4.267 -2.092 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 3.087 -1.800 -0.670 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 8.068 1.026 7.602 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 -1.497 -7.808 1.995 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 14.089 -19.738 -7.903 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 5.490 -0.477 -9.814 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 -4.845 6.195 -0.006 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 -17.676 2.308 -3.564 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 23.213 16.643 7.193 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 6.135 0.245 -6.890 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 -10.661 -0.063 -12.286 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 11.506 -10.184 -20.350 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 2.072 -0.017 0.729 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 4.741 -0.145 2.381 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 -2.453 -1.835 -4.961 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 2.764 -1.438 1.580 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 3.966 -9.262 -11.526 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 8.386 14.599 -0.106 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 -4.443 -8.231 6.702 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 -0.325 -13.576 -9.197 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 1.074 -10.904 4.162 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 -1.094 -6.965 -2.670 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 4.193 -14.991 -10.858 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 1.610 4.271 5.347 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 2.517 -1.586 1.032 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 -2.238 -18.794 -23.608 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 9.760 -13.916 16.426 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 -2.944 -6.004 4.893 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 26.624 -4.062 13.504 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 -32.394 -11.269 -22.228 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 2.057 4.565 4.202 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 6.546 -17.145 9.524 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 -21.672 -1.814 -12.071 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 0.810 4.583 3.756 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 10.518 -11.105 -7.263 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 11.644 14.029 3.166 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 -6.479 -5.031 -0.283 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 -34.654 -0.169 -1.072 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 26.668 -7.567 -3.120 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 -1.233 3.562 -0.337 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 -10.820 10.960 23.127 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 -2.951 -5.596 16.579 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 6.769 5.367 -5.065 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 7.785 3.239 -2.019 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 -5.524 4.832 1.013 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 0.274 -3.111 -3.476 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 21.040 10.796 -1.692 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 -12.051 16.182 18.494 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 0.084 4.248 2.572 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 -0.545 1.845 6.569 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 32.434 7.365 -2.847 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 7.556 7.911 7.101 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 0.763 -14.050 9.937 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 -19.478 9.253 0.450 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 2.237 2.418 -1.295 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 -21.390 -1.066 1.108 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 -1.270 8.700 -25.740 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 -7.870 -5.392 8.945 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 -13.044 7.956 12.542 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 29.793 5.100 -5.272 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 -7.866 3.411 -0.441 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 -6.062 20.120 -11.390 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 9.519 14.302 21.161 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 -3.871 1.790 2.481 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 -20.028 0.406 22.793 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 16.082 9.102 -6.374 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 -3.305 1.990 1.809 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 3.726 -0.884 10.397 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 0.375 14.780 -18.765 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 6.182 3.266 3.968 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 2.788 10.193 4.693 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 -3.466 -3.957 5.992 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 3.721 0.950 -1.543 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 -6.226 6.048 -25.135 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 -6.731 0.018 -2.323 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 -0.114 0.016 3.418 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 0.300 -13.595 -2.232 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 -9.211 22.316 11.418 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 3.174 -1.055 3.390 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 0.226 0.376 16.802 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 7.307 -4.630 -8.505 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 -3.098 -2.392 2.608 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 -13.114 -2.994 -9.048 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 -14.779 12.412 4.697 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 -2.359 2.672 0.754 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 -2.433 6.463 -8.593 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 -1.619 -4.190 8.270 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 1.686 2.883 -0.854 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 8.426 -2.732 33.499 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 -19.864 2.720 -3.236 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 1.530 -0.333 -3.686 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 -15.375 21.435 -6.645 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 -19.106 -23.725 -8.528 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 3.785 -3.344 4.984 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 6.722 -17.127 12.531 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 2.436 7.896 17.689 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 -3.201 -4.917 -0.650 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 -1.230 2.895 21.851 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 0.573 4.027 -3.483 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 1.844 0.160 6.933 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 11.889 -13.863 -8.649 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 5.866 -0.639 4.058 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 -3.887 -3.819 -0.991 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 4.105 7.342 -29.232 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 -9.486 -15.193 -3.391 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 -0.178 7.330 3.262 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 1.356 11.051 3.407 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 -0.105 8.043 3.326 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 5.146 -1.029 -2.798 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 10.416 8.868 2.513 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 -3.472 -6.734 -23.512 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 -4.047 -1.822 3.265 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 -13.117 -3.346 13.961 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 -6.983 -6.992 -6.976 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 -0.736 -0.120 0.167 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 -1.795 -3.571 4.488 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 -1.424 0.404 0.083 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 -1.937 -2.561 -3.767 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 -1.629 3.842 1.260 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 -0.053 -5.699 4.223 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 0.194 4.802 -6.538 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 1.214 10.365 3.644 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 13.142 42.198 -4.639 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 3.887 1.695 7.328 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 12.614 1.370 10.487 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 -11.753 7.150 3.928 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 0.459 -7.319 6.213 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 5.898 -0.109 9.700 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 -2.116 -14.948 -3.387 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 1.057 -2.924 1.210 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 2.180 -1.758 1.557 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 0.825 -6.203 -0.030 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 -2.129 -0.022 0.587 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 -13.733 3.325 -8.784 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 -5.331 -5.704 -4.788 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 -7.930 6.649 -2.234 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 -4.299 -1.301 0.489 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 -1.510 14.685 4.067 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 -7.191 4.583 -3.458 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 -30.544 17.073 -4.261 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 -3.185 1.869 21.057 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 -0.636 6.951 5.605 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 -32.126 1.755 -2.469 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 -2.104 31.695 -3.282 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 -10.365 -6.537 3.582 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 -10.071 -4.928 -29.038 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 -14.150 -6.323 -21.326 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 -8.681 7.202 9.320 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 -15.891 -15.914 -16.147 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 -12.246 -3.502 -1.402 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 1.718 0.437 7.570 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 -7.681 0.058 11.103 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 -13.821 8.023 19.020 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 2.182 1.990 -3.369 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 22.052 -14.810 -8.150 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 -9.352 9.360 -22.252 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 -5.492 1.006 -8.652 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 -3.499 2.700 -16.209 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 -9.732 -4.127 -17.256 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 -2.246 -4.756 -1.067 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 16.419 1.236 -3.735 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 -30.581 -16.875 -4.375 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 0.026 -1.482 0.180 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 5.227 5.942 -2.251 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 -1.396 -7.807 -2.438 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 2.979 -1.692 -4.894 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 5.384 -10.046 -19.372 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 10.827 -26.166 8.832 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 0.224 8.161 4.394 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 -20.111 13.510 8.372 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 2.273 6.498 3.743 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 1.323 -0.524 -3.940 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 -2.872 -1.623 -5.392 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 -0.060 -5.882 -7.425 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 -0.891 -3.249 0.731 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 -6.604 10.014 -11.864 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 -1.988 -5.310 -14.694 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 -0.534 -1.616 -2.512 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 11.412 1.402 0.607 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 -5.649 2.192 -17.916 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 -9.050 -2.179 -2.954 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 -1.858 17.828 0.310 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 0.585 -2.255 -10.866 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 6.051 -12.487 -7.714 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 0.726 5.650 -7.018 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 2.902 -21.853 -13.089 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 5.686 1.572 4.968 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 10.109 7.036 0.898 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 7.622 -6.805 1.079 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 -7.203 -4.174 -7.281 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 -1.657 26.759 3.048 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 1.181 -1.825 8.093 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 2.660 -3.840 -0.780 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 8.509 -4.360 -11.607 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 -10.897 2.521 26.092 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 -7.829 1.121 -1.106 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 17.872 -32.561 4.825 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 -2.474 -9.363 -2.361 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 3.115 -3.180 -1.187 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 30.360 -8.981 -11.441 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 -12.437 1.218 -27.907 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 -4.222 -5.086 -1.539 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 -15.555 -4.957 -8.900 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 -18.720 -2.892 -0.139 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 0.533 2.057 3.113 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 2.593 -8.132 -13.415 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 14.207 15.109 2.877 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 1.471 -0.595 -1.649 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 -3.729 -6.068 -5.985 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 -10.292 -10.273 -9.629 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 0.985 -0.539 -1.201 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 -0.407 -9.000 13.281 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 4.946 2.974 -4.278 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 -3.756 -0.384 -5.477 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 16.363 2.185 -26.788 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 -7.287 10.073 -1.881 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 5.927 1.154 -5.857 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 -1.215 -0.378 -6.985 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 7.485 -3.743 -1.097 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 -1.747 5.899 -1.099 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 6.616 6.422 6.972 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 -10.101 -0.398 -13.274 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 -5.578 1.195 -2.732 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 -0.085 10.666 4.073 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 -10.296 11.064 1.699 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 -3.562 -3.952 -3.533 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 -11.945 -15.067 14.322 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 -17.348 17.610 17.606 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 -4.250 1.957 -1.613 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 -1.802 13.225 -9.764 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 0.557 1.503 3.065 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 4.827 -6.071 -1.850 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 -4.602 12.354 -8.999 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 10.621 -1.452 7.414 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 -0.663 2.815 0.088 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 4.468 8.114 -12.025 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 2.736 6.343 -5.039 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 -1.088 -4.028 -3.495 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 12.411 2.098 18.886 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 2.586 7.798 7.842 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 -2.836 1.189 -5.212 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 -2.023 -13.595 -0.360 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 21.271 4.587 -1.016 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 -9.963 -3.724 5.517 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 -11.579 -9.084 -0.399 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 -10.570 -4.067 5.337 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 5.295 2.864 -0.026 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 6.011 10.727 -7.220 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 0.574 5.333 -9.366 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 -6.804 -0.682 -5.284 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 -12.946 3.197 2.275 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 -17.990 -3.197 6.137 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 -2.112 2.855 6.143 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 -24.573 6.275 -7.805 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 13.157 10.772 5.219 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 -2.218 -6.777 -0.886 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 4.684 -7.847 -4.417 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 4.065 -7.529 -8.988 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 3.968 -5.920 1.449 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 -8.764 2.842 2.190 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 3.900 -9.323 3.146 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 5.261 4.257 3.665 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 -18.974 -7.132 -5.566 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 -11.099 13.848 11.576 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 -5.349 -2.428 -0.143 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 16.387 -14.701 26.583 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 21.865 -10.936 -22.091 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 -1.735 -5.720 0.173 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 -30.987 -1.761 -13.111 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 13.220 -10.793 -33.079 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 -1.933 -0.512 2.238 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 -5.341 5.375 -13.865 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 3.090 -19.143 5.583 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 -0.736 5.045 -0.117 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 9.918 7.035 -11.104 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 -4.603 4.878 -3.013 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 -2.442 -1.658 2.665 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 -26.903 9.197 3.287 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 6.055 -2.295 4.243 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 0.374 9.023 0.213 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 9.068 4.506 2.707 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 3.685 10.812 -6.539 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 -4.337 0.409 7.986 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 -4.681 2.612 7.531 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 -0.699 2.898 -4.797 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 1.287 7.493 5.774 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 -9.610 -10.305 14.849 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 7.307 6.986 -1.946 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 -0.104 -3.862 1.392 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 -14.580 -7.369 11.771 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 -13.283 3.471 11.048 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 2.978 0.852 -0.691 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 6.174 -7.454 -6.352 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 -13.988 3.775 20.386 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 6.418 -3.588 -1.941 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 -14.534 10.212 1.047 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 10.712 -6.257 -3.854 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 -8.781 4.923 0.222 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 15.866 -7.727 0.514 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 11.292 -38.966 19.714 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 -6.213 -2.257 3.156 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 4.564 -19.658 4.901 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 10.654 0.392 0.703 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 -1.977 -3.091 4.458 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 0.342 -6.253 -7.393 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 16.914 -7.275 -20.381 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 2.868 -4.682 -0.083 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 19.338 -0.764 -9.479 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 11.859 -13.875 -2.462 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 6.250 0.301 2.372 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 -3.831 -0.797 20.430 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 -3.175 -5.392 10.896 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 1.512 8.336 -2.229 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 -7.879 -17.122 25.040 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 5.451 2.937 7.113 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 -0.694 -2.717 -3.926 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 29.539 -5.144 3.818 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 8.574 -2.730 -2.020 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 4.198 -4.203 0.018 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 2.266 -6.283 9.086 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 -30.742 -18.435 36.488 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 6.545 -1.593 -5.111 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 8.503 -2.505 -7.335 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 3.257 -0.777 -3.098 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 -3.369 -0.461 4.583 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 2.374 -4.120 18.605 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 2.131 -9.351 -6.474 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 2.051 1.598 -2.492 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 13.790 -0.923 -15.471 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 4.090 6.637 -5.165 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 1.272 5.556 0.983 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 8.321 -2.123 8.495 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 10.070 -3.178 10.231 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 0.651 2.078 -1.589 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 0.348 3.132 -2.081 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 3.249 4.314 2.548 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 0.110 2.700 -1.078 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 -15.897 4.942 3.856 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 -14.939 2.587 -11.332 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 0.174 -0.811 -1.007 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 -1.742 5.674 -4.570 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 0.116 6.398 -5.724 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 0.601 -1.977 4.126 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 53.879 2.498 10.268 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 25.747 -3.911 13.792 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 -3.045 1.093 -4.413 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 9.822 -4.005 27.130 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 -3.106 1.274 -11.590 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 -3.366 3.766 -0.519 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 24.606 -6.504 1.959 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 21.711 -7.053 10.301 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 3.791 -0.579 -0.311 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 8.161 0.417 10.701 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 4.945 2.567 -2.333 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 4.616 2.820 9.254 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 -12.333 5.959 10.159 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 10.140 13.697 -0.783 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 1.621 3.352 2.643 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 -0.709 4.205 6.158 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 4.015 -1.571 21.688 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 -4.548 0.107 -0.243 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 -10.690 -4.491 -24.159 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 1.379 -11.814 11.592 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 -3.443 0.355 1.644 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 -0.681 -6.591 10.402 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 -0.494 -8.980 7.957 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 4.840 -3.265 3.583 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 5.899 -7.898 6.422 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 6.273 -3.921 8.928 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 -1.470 3.031 -1.061 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 -3.773 4.776 -5.340 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 -4.087 -4.285 14.996 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 4.206 -3.567 -5.707 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 5.722 -4.247 12.122 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 3.096 -21.511 6.880 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 -3.039 3.760 1.687 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 -4.604 7.120 -6.563 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 8.494 6.843 6.529 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 1.014 0.230 -7.293 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 3.471 -11.347 -14.241 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 6.162 0.418 -12.125 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 1.494 4.255 -1.016 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 -5.520 -16.205 -20.345 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 -11.216 -25.297 4.866 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 -3.544 -1.019 3.894 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 8.622 -5.040 -5.592 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 -6.438 -0.997 6.771 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 -4.527 -2.335 -8.707 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 -0.626 -13.863 -11.702 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 5.981 11.907 -13.086 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 -3.761 -4.355 5.584 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 19.470 12.641 0.504 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 15.143 4.120 -3.372 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 1.511 2.560 7.112 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 9.862 -27.348 10.442 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 4.289 -16.152 14.234 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 1.508 10.293 4.724 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 -0.833 9.964 5.569 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 -4.848 24.353 1.194 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 1.875 0.346 0.188 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 -3.469 -3.861 -17.982 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 -9.882 19.320 13.261 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 -3.859 2.471 -5.222 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 -17.598 -14.507 -14.976 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 13.538 13.152 -7.159 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 -5.571 -2.915 -10.706 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 -4.470 2.373 -21.231 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 -7.494 5.478 -5.912 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 2.452 0.900 3.174 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 -10.792 -19.196 -10.478 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 34.678 -18.710 -9.341 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 -8.249 -0.792 -3.970 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 -10.468 -1.850 -2.016 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 -4.451 -3.729 -4.592 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 2.617 2.709 -7.221 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 -5.741 8.344 3.706 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 4.253 1.926 -4.909 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 -2.338 2.861 -7.523 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 2.993 17.804 -0.383 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 -8.960 24.213 -9.673 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 6.956 -0.170 4.693 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 -21.817 -2.420 2.007 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 1.137 14.732 2.272 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 5.016 1.098 2.127 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 5.025 -7.587 21.422 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 7.043 -2.840 1.432 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 -5.384 0.565 0.467 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 -8.763 -0.287 -0.512 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 -4.403 2.272 -2.429 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 0.601 0.448 0.844 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 -3.843 -4.644 -7.604 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 -17.708 2.895 5.016 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 1.286 1.570 -0.965 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 1.721 1.194 3.929 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 -9.877 0.459 -9.296 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 1.203 5.119 -6.196 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 -2.078 -13.582 -2.002 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 1.725 -17.342 1.058 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 2.914 -6.754 3.178 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 18.042 1.244 20.458 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 13.235 -21.415 16.079 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 -0.552 -0.174 0.445 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 12.980 14.181 -4.393 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 -17.785 -14.465 15.162 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 2.822 -0.404 -3.440 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 5.677 -4.355 -1.073 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 0.740 -0.759 -6.518 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 1.607 -5.038 0.326 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 -7.232 -6.539 -6.600 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 0.615 0.979 2.543 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 10.125 1.284 1.647 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 10.369 -1.076 3.319 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 10.526 2.536 0.920 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 -3.297 -1.335 -0.906 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 -15.739 -16.242 -19.329 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 4.632 33.259 -12.119 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 0.895 3.722 -4.666 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 -9.623 -5.486 -0.980 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 -4.283 -10.807 -13.508 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 -0.233 -0.797 1.717 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 7.234 4.529 -7.429 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 -10.927 -1.885 -5.695 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 -0.572 -2.473 -11.353 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 8.258 -16.567 -25.141 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 -2.120 22.610 -22.761 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 1.000 -0.951 -5.266 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 -3.659 -2.358 -0.286 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 4.916 -13.400 -20.455 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 -7.502 1.238 -0.154 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 7.695 3.164 0.903 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 0.920 -4.380 23.679 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 4.880 2.529 -5.863 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 -14.421 13.173 1.958 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 6.827 18.517 11.172 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 1.783 -0.341 -1.942 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 2.790 -1.994 0.619 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 -12.069 -13.157 -5.060 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 1.658 0.344 -5.723 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 2.453 -10.029 14.564 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 12.286 -19.414 -23.943 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 3.765 -6.066 -1.495 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 8.329 -0.209 2.380 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 11.765 -7.332 -11.180 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 4.120 -6.242 -5.449 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 6.655 -5.026 0.009 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 5.196 -6.385 1.502 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 -3.678 2.865 0.788 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 -0.987 -4.548 3.708 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 -6.259 7.008 0.764 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 0.879 -1.388 1.394 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 -19.243 20.798 2.709 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 -23.417 23.677 -22.655 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 4.025 0.880 2.080 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 0.307 -29.863 -27.771 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 -25.155 12.049 23.926 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 -0.701 -2.496 3.993 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 19.623 -15.145 -10.326 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 8.641 -5.676 -0.819 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 -0.158 6.894 -3.111 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 4.985 9.113 -7.439 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 20.104 12.212 -39.567 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 3.407 -5.090 4.272 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 15.060 -15.562 -6.219 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 0.833 -18.485 -2.155 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 5.312 -2.539 -2.973 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 15.325 5.947 16.539 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 13.860 -1.234 -2.289 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 2.179 -2.791 -2.891 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 2.610 0.053 -21.649 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 -14.638 -9.906 -0.088 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 0.001 2.380 2.697 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 0.536 3.786 2.004 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 -6.623 -1.716 0.261 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 -4.581 2.184 0.633 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 21.287 15.070 6.037 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 -11.551 -3.104 5.655 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 3.948 0.296 5.815 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 4.433 -6.561 15.837 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 9.755 -1.419 -3.000 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 1.031 1.093 -1.001 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 -18.268 -5.209 9.731 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 8.886 20.849 6.135 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 -2.431 4.762 7.813 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 0.852 -30.430 0.546 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 1.503 3.957 4.459 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 -1.478 -0.593 0.735 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 6.883 2.211 -9.601 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 6.864 5.317 -2.772 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 0.134 -0.270 0.240 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 23.892 19.094 7.549 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 -1.269 8.285 5.010 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 -4.764 -3.809 2.075 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 -2.796 -2.037 -1.924 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 -10.208 -10.869 10.305 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 -10.542 3.399 -2.140 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 -12.674 4.499 -6.435 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 1.208 8.752 2.214 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 0.243 -0.337 1.414 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 8.161 6.414 7.456 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 3.879 21.380 -9.829 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 1.853 5.377 6.660 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 7.755 9.574 3.580 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 -1.125 7.674 1.228 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 -0.825 -5.149 0.867 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 25.400 -11.807 7.442 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 5.180 2.177 -1.905 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 -0.088 -3.078 -7.519 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 -11.421 9.191 7.755 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 18.033 8.214 -9.121 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 -0.520 -4.203 3.866 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 -2.109 10.923 16.491 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 -1.917 9.803 1.972 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 2.738 6.382 0.005 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 13.083 6.102 -10.401 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 11.646 0.399 4.831 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 0.841 -1.869 -1.463 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 -1.714 -3.265 18.106 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 -0.017 -6.889 12.501 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 3.679 -6.676 -9.280 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 14.662 12.320 -24.269 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 16.076 -7.861 -3.064 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 -2.415 -1.730 4.671 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 -1.284 -2.476 25.515 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 4.445 -20.456 -1.110 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 -0.104 -0.920 0.729 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 10.109 0.172 3.030 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 9.862 11.435 2.056 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 -3.825 -5.898 9.168 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 1.129 -7.837 10.008 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 -1.598 -11.227 9.859 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 5.987 0.602 0.433 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 3.477 9.164 -1.791 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 10.351 1.794 -8.635 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 0.009 -4.082 -0.306 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 -14.642 2.848 -10.931 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 3.178 0.014 14.836 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 2.207 -7.344 0.275 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 12.670 -13.412 -16.360 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 -7.745 -2.972 22.899 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 -0.086 0.496 4.406 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 -17.606 12.450 -4.362 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 -8.527 11.948 27.524 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 1.797 1.168 -0.136 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 8.054 16.845 14.016 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 8.914 11.838 6.288 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 0.274 -0.231 4.339 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 -1.826 -3.215 6.145 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 -4.486 12.300 -2.139 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 0.429 0.412 11.084 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 2.727 -7.361 6.531 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 -1.950 6.495 14.827 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 -5.023 1.062 0.062 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 -18.390 2.395 15.330 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 -17.757 -3.479 10.325 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 1.185 1.319 5.245 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 0.719 -0.275 -1.674 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 -3.978 0.232 -2.015 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 -3.639 0.196 -5.699 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 2.848 8.492 -7.431 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 -3.965 -2.313 16.259 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 -0.788 -5.259 -2.800 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 1.621 6.611 2.876 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 0.562 -5.665 0.738 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 -1.144 2.048 4.281 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 -18.166 -0.583 -0.536 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 8.759 -2.705 -10.421 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 2.179 4.537 2.672 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 -14.695 -8.452 4.329 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 10.137 -12.168 -15.370 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 -1.512 3.755 -1.565 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 2.370 -16.399 1.423 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 4.413 7.801 -3.791 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 1.002 -0.784 -4.768 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 2.219 4.087 -21.801 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 -12.104 9.450 5.702 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 0.407 3.185 -1.039 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 -3.990 -18.343 -6.252 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 1.460 -3.546 -13.673 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 -2.662 -6.556 8.719 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 -6.957 -26.383 16.349 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 8.123 23.541 6.349 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 -2.601 1.206 -9.221 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 1.249 2.642 7.154 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 -5.038 11.058 -11.411 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 0.429 -0.576 6.805 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 -9.583 -7.558 -5.302 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 -5.116 -4.832 0.101 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 1.273 6.773 -1.120 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 14.668 8.739 -18.909 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 -0.120 5.002 3.806 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 -0.234 3.540 -5.314 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 7.530 11.370 12.117 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 -12.142 30.607 -21.805 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 7.135 1.895 -0.871 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 8.484 -21.687 -12.532 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 -25.497 8.595 0.944 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 2.165 1.883 1.657 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 -11.398 9.620 20.723 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 -4.977 -30.010 -37.714 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 -4.094 0.178 -5.547 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 -7.515 2.872 -4.561 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 -5.722 -0.970 -4.822 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 1.446 4.154 -4.312 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 -20.006 9.584 14.049 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 -9.794 15.065 -6.617 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 -2.579 -0.313 3.310 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 -6.455 -12.719 3.679 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 12.462 -1.600 6.981 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 0.354 2.687 2.403 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 -4.420 10.369 0.752 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 6.777 35.439 -5.678 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 2.665 1.448 -1.304 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 -1.905 3.201 7.817 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 -1.481 -0.204 -17.654 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 -5.011 9.054 5.003 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 12.335 -4.749 4.549 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 -3.904 5.581 12.089 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 -3.246 -4.041 0.195 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 9.166 17.437 22.108 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 -16.624 -11.196 -9.789 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 0.547 2.553 -12.680 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 0.814 -0.152 -11.207 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 6.882 -22.174 -24.532 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 2.445 -3.108 -2.739 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 -1.862 -17.299 -3.563 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 -29.353 -24.179 0.392 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 -2.691 2.119 -0.596 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 -1.114 13.625 9.125 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 7.758 1.554 -7.611 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 -3.622 2.939 -4.728 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 -21.657 11.279 5.860 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 -6.889 2.031 -2.443 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 -4.950 -4.752 0.918 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 -7.523 -6.978 -0.472 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 -2.519 -3.719 0.681 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 -7.144 5.645 -1.299 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 -3.290 16.660 -8.247 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 -9.795 4.977 4.223 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 5.941 0.188 -1.189 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 0.985 -1.781 -7.583 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 -2.111 7.288 -3.602 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 0.029 1.912 -3.498 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 -4.835 -4.074 15.912 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 0.112 -6.646 6.094 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 -6.935 2.334 2.351 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 7.564 16.358 8.190 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 -1.307 8.334 -9.315 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 -3.500 -1.362 5.845 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 16.049 -10.599 -2.934 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 -6.179 7.443 -1.318 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 4.295 1.277 2.473 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 2.072 -9.868 -4.400 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 1.519 5.939 -8.971 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 -4.241 -6.727 2.382 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 -11.743 11.795 -5.436 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 16.304 -1.963 8.061 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 1.218 -5.997 0.816 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 -8.792 12.307 -7.042 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 12.987 -27.533 4.866 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 -3.892 7.960 0.415 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 -9.111 3.429 -10.508 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 -10.017 2.994 -10.805 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 -5.248 5.196 1.397 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 5.965 3.949 7.950 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 -15.861 5.770 11.832 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 -5.805 -0.903 -4.473 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 3.866 -6.934 5.462 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 -0.807 -10.880 -0.658 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 2.819 -2.627 -0.789 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 -10.207 -3.845 3.664 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 13.287 -0.381 -14.970 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 3.123 -2.350 -2.328 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 -2.465 7.616 -19.325 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 16.036 -10.662 4.672 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 -1.838 4.422 5.664 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 5.005 11.058 5.367 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 2.648 11.491 8.932 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 -8.410 1.726 -0.984 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 0.627 3.445 -31.161 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 -19.447 -3.836 -37.661 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 -0.772 -0.667 -3.123 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 38.812 16.740 -10.602 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 -30.642 -23.585 0.223 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 0.634 3.926 4.191 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 1.197 16.275 -23.579 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 -5.757 24.224 15.721 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 -4.864 2.259 -6.784 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 8.917 -11.211 -22.350 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 -26.652 -19.359 -0.395 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 1.893 0.168 0.813 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 14.924 0.581 -13.311 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 -3.953 3.895 8.034 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 -0.296 4.159 -2.901 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 -6.149 2.917 5.975 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 -5.775 -1.422 10.145 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 0.297 -5.503 0.583 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 16.600 -1.438 0.263 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 -4.755 -0.926 19.196 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 -6.006 1.219 -3.266 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 -0.150 6.068 2.077 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 -5.652 -0.780 -6.043 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 -2.578 -6.310 6.084 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 8.568 -12.029 6.918 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 26.320 -22.233 8.388 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 1.151 -0.149 -1.806 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 -20.068 -8.891 16.792 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 -0.836 0.089 3.541 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 -3.117 1.892 0.450 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 1.653 -21.125 -1.070 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 -17.780 -17.461 -1.193 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 -1.853 -0.676 -7.390 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 -16.298 -2.027 4.455 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 1.903 -4.613 -8.812 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 -6.702 3.022 -5.201 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 -9.314 -3.987 10.252 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 7.918 4.033 -11.162 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 -2.658 -1.783 1.239 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 5.014 4.164 -8.190 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 -2.815 3.980 14.426 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 5.252 0.822 2.211 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 -24.720 6.569 -1.380 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 9.300 -3.057 9.774 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 0.211 0.221 -2.291 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 -6.247 2.715 -10.867 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 -3.629 -2.877 -15.811 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 2.022 -0.438 -0.162 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 2.310 1.509 4.786 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 10.656 8.111 12.460 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 0.835 5.078 4.911 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 7.195 12.946 6.502 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 10.898 0.894 -7.364 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 -2.373 -2.552 1.236 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 -24.912 9.785 -15.045 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 -6.711 0.842 -4.073 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 -6.455 1.488 3.343 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 4.631 -1.058 1.004 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 9.145 -2.005 -0.003 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 -0.963 -1.452 0.265 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 3.888 -1.322 -3.292 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 4.567 -8.752 -7.416 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 -1.198 2.266 2.110 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 -14.023 8.194 -1.582 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 -8.140 13.436 -12.060 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 0.314 -0.851 0.202 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 7.313 -0.368 -9.305 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 2.668 0.072 -3.699 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 -1.186 -3.116 -0.690 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 -5.075 18.600 -2.202 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 2.368 -18.686 -0.484 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 4.642 -0.522 2.957 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 20.958 3.310 5.628 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 23.430 1.146 4.619 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 0.515 1.309 -3.540 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 0.279 1.627 -6.113 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 5.657 -7.002 -8.721 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 -3.237 -5.699 2.396 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 6.659 -2.755 -0.963 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 -4.452 -12.511 -4.559 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 -0.291 0.698 -1.900 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 -5.993 2.534 -16.702 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 0.145 4.265 -13.225 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 0.909 3.459 -2.542 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 14.005 10.460 -8.726 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 -7.955 29.797 13.381 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 -0.559 -3.985 -0.725 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 -9.363 -12.967 -4.157 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 10.117 10.576 -0.872 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 4.991 -1.703 -1.577 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 -4.775 -3.341 1.962 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 21.927 0.893 -10.910 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 9.451 4.521 -0.193 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 0.548 23.547 11.434 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 4.470 -18.814 5.897 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 2.141 6.653 6.398 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 -16.294 7.946 1.072 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 -2.212 -39.108 -1.263 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 1.588 -3.040 -1.462 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 1.597 0.965 8.255 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 -1.951 17.374 9.176 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 -0.149 -8.130 -2.413 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 -13.922 11.079 8.377 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 21.120 -8.140 11.651 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 1.366 12.418 -2.610 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 8.044 20.998 -0.399 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 -14.721 -4.611 -14.290 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 -4.933 -3.767 -2.084 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 -12.185 -21.868 5.660 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 3.214 -23.744 -2.458 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 3.310 -4.013 10.144 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 -11.433 -10.839 9.548 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 15.178 7.814 12.804 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 2.703 2.434 3.337 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 14.913 -11.289 4.905 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 13.460 12.748 -16.833 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 3.018 -1.857 -1.449 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 7.005 -3.849 -7.250 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 9.857 1.798 19.395 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 -4.196 -1.452 2.173 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 10.680 32.625 -16.811 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 0.987 -4.256 -0.687 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 -5.957 1.717 1.464 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 3.137 -17.284 11.921 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 4.497 3.697 18.141 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 2.121 -2.505 -6.834 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 -5.673 -11.704 -0.442 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 13.619 0.184 -9.072 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 -6.927 4.994 -9.133 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 -4.930 -3.717 -13.230 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 -12.686 1.109 -15.646 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 6.363 0.225 0.812 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 8.274 0.950 17.034 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 15.798 20.144 28.167 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 5.260 -3.263 -2.395 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 16.338 2.432 -10.781 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 -0.255 -3.683 -14.207 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 0.867 -1.830 -3.026 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 4.044 2.643 -2.990 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 -4.889 -8.763 -7.002 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 1.377 -4.769 0.623 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 11.485 -9.471 -9.780 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 10.366 0.287 2.924 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 5.434 -1.441 3.065 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 -0.352 7.296 -23.615 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 10.610 0.582 -21.168 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 -5.500 -1.645 -0.602 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 -3.236 -1.575 29.686 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 -5.045 5.820 -4.751 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 1.282 -0.203 -5.314 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 17.380 -8.503 7.557 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 7.643 -7.250 -7.346 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 -3.278 -5.547 3.860 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 -13.107 -5.714 -2.107 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 8.498 0.743 12.857 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 3.438 -2.995 -0.195 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 -4.834 8.323 -10.413 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 -8.938 -13.678 -6.620 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 5.403 1.923 -3.168 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 -8.232 6.274 -7.339 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 6.072 3.562 17.298 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 -5.691 3.915 -2.187 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 14.943 1.671 -2.506 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 10.845 5.020 -13.554 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 3.134 -1.891 -7.664 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 -6.271 -1.790 -7.009 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 13.452 8.834 -8.295 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 -0.575 -9.334 -1.123 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 -8.053 16.837 1.813 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 -8.240 -20.860 20.177 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 -1.877 5.216 0.115 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 0.907 20.916 -0.524 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 -1.627 4.447 -0.454 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 1.130 -1.547 -5.401 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 21.215 -13.320 4.015 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 4.224 5.005 5.625 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 -4.684 1.873 3.086 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 2.386 1.139 7.779 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 -9.018 17.534 -3.240 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 -1.240 -0.763 7.485 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 5.472 -22.186 13.460 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 -3.557 -4.369 -13.043 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 0.924 -2.744 2.190 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 10.019 15.672 33.314 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 -4.610 -26.193 -10.860 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 3.687 1.418 2.673 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 1.708 13.873 14.264 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 -1.796 -10.249 -19.334 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 0.988 1.082 -4.785 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 -15.019 -24.891 2.556 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 6.579 10.002 -5.426 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 -0.801 1.761 -4.166 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 -4.615 1.169 -24.326 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 -20.450 -14.014 2.697 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 -1.446 -3.381 -1.668 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 39.944 6.507 12.024 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 9.309 46.903 -22.129 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 -2.820 0.807 3.531 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 16.990 -2.139 -14.682 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 -11.104 1.262 12.760 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 1.043 1.419 -1.097 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 -3.133 14.798 -3.244 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 16.534 0.734 7.421 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 -2.956 -3.366 -4.223 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 -13.167 1.811 22.728 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 -16.411 -12.727 -12.406 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 5.048 1.087 1.038 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 -14.647 5.434 13.484 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 -6.097 22.738 -19.220 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 -7.023 0.531 -8.361 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 8.491 -6.553 -21.923 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 -20.784 -4.410 -3.739 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 -8.169 -2.363 -4.899 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 -5.302 -7.345 -3.730 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 2.152 -4.828 5.223 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 -0.152 0.128 1.113 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 2.248 -2.135 4.635 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 -2.073 1.630 0.007 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 -4.298 1.698 -0.838 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 1.571 -5.216 12.697 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 -4.346 7.376 -24.034 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 -9.121 0.554 0.957 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 -28.081 13.935 -6.348 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 2.744 -10.097 1.941 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 -4.120 -2.555 1.742 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 -10.807 -10.039 9.571 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 11.961 18.908 -27.872 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 -3.242 7.885 -2.783 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 -35.805 10.917 25.509 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 -3.089 14.265 -22.738 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 2.525 5.198 2.660 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 10.877 12.427 5.133 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 5.271 1.536 -7.744 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 -6.913 -3.760 -7.163 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 11.446 -5.947 20.336 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 -5.519 0.266 -4.457 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 0.539 -1.731 -4.114 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 -18.875 -2.155 -1.405 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 -4.093 -4.324 -8.599 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 -3.380 -6.005 1.462 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 -10.901 -20.089 4.877 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 21.265 2.504 -11.986 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 -2.549 -0.884 -1.573 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 -7.988 8.414 14.833 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 -2.938 2.682 -0.245 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 2.580 -1.443 -1.515 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 -2.198 -2.760 -9.787 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 -5.479 -3.246 -2.318 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 -4.666 1.024 -3.403 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 -12.973 4.438 -17.761 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 1.778 -11.559 -24.047 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 0.894 1.000 0.192 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 -19.909 6.285 -3.284 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 -6.299 3.924 1.231 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 1.542 5.763 4.130 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 2.497 -0.368 -1.646 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 -1.489 5.904 8.565 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 0.794 3.541 2.921 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 3.782 11.176 0.324 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 -1.165 -5.253 5.476 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 2.930 2.005 -1.839 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 -2.559 -13.380 -11.807 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 -8.472 2.738 10.296 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 -2.642 1.667 -6.605 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 7.021 -1.371 -11.766 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 -5.215 -7.543 -27.536 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 -3.786 1.014 5.514 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 -7.221 11.187 -5.475 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 -16.059 -3.770 -16.694 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 3.434 -1.025 6.579 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 4.775 -26.827 -9.338 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 -7.885 8.188 2.794 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 -1.215 -0.415 3.944 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 5.772 -3.668 -4.300 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 -8.611 -1.780 -2.399 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 0.749 -4.738 -0.164 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 2.255 3.887 -2.631 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 0.904 -18.985 12.785 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 7.109 1.863 -0.120 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 -6.037 -2.108 4.000 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 10.373 11.304 -10.205 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 -5.547 -0.059 -1.717 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 -27.029 7.793 -2.071 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 -3.275 -6.859 18.575 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 2.749 0.634 5.619 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 -14.224 6.099 6.587 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 1.007 4.118 -3.820 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 -0.244 -3.259 4.689 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 4.633 -7.226 -3.988 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 -1.714 19.056 6.143 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 -2.573 1.582 0.877 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 -20.418 7.920 -4.086 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 29.008 -0.588 8.269 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 -1.762 -9.661 -0.671 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 -1.350 0.136 -6.200 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 -3.136 9.960 -1.639 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 -0.494 -1.470 -1.436 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 -1.578 5.473 5.409 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 -3.270 4.482 -16.486 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 5.666 2.704 -2.798 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 8.813 7.755 2.202 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 -2.578 -8.250 -7.237 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 3.039 0.941 6.995 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 -1.528 19.051 43.391 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 -13.590 9.778 -7.543 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 2.030 -0.154 9.983 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 12.224 -2.181 1.015 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 7.474 -3.429 30.333 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 -0.881 2.403 -1.627 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 8.798 14.819 -0.913 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 11.534 -4.860 1.108 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 3.889 3.869 -2.084 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 23.159 9.321 11.497 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 6.968 1.390 -10.209 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 4.077 -1.195 3.351 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 6.710 3.450 1.811 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 11.357 -22.895 -9.470 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 2.848 -0.963 -3.341 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 0.249 -2.885 -4.558 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 2.425 -3.135 -1.742 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 3.354 0.160 5.018 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 15.194 -0.356 -15.765 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 -14.366 -14.433 -16.431 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 0.399 0.923 2.317 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 -6.006 -5.041 12.329 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 10.443 12.333 -15.214 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 6.506 4.974 -0.925 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 7.363 5.095 0.066 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 -6.420 2.294 -8.488 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 -2.894 3.169 -2.123 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 -4.643 8.328 -1.017 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 -4.005 17.930 -4.773 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 1.704 -2.181 -1.038 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 -8.429 -16.312 6.491 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 -3.170 3.617 18.391 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 9.155 -1.840 -1.752 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 29.119 9.606 -0.223 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 3.425 -5.720 -16.864 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 0.253 -5.089 1.865 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 15.859 -1.889 -1.175 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 -1.332 7.263 12.930 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 -2.464 -3.179 -2.309 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 -16.584 -17.863 -14.717 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 0.324 2.600 -10.170 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 -3.372 -0.369 -4.792 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 -0.230 -4.615 -11.155 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 -10.710 -2.187 0.043 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 -5.348 4.035 0.101 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 -18.953 -9.977 9.024 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 0.495 10.879 -3.179 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 -2.981 4.764 -3.714 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 5.124 -14.529 16.821 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 -10.803 -8.125 2.249 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 -5.949 -3.014 2.408 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 -22.156 2.853 -12.457 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 7.657 21.842 -5.691 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 -0.821 4.480 4.952 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 1.889 8.226 8.284 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 -0.218 9.915 7.314 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 1.567 0.371 -4.151 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 -14.112 -4.395 -20.342 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 -7.985 -5.694 14.732 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 1.758 -3.479 -0.303 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 -11.287 -3.678 2.750 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 6.987 5.073 -12.784 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 3.458 4.115 2.559 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 -6.666 -1.226 3.735 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 -11.130 -3.750 3.903 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 -1.588 10.402 -1.967 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 1.270 -6.970 -9.639 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 -8.207 22.932 -8.592 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 1.458 -3.296 -1.066 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 -3.839 2.137 -2.507 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 -12.702 9.551 -4.645 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 -3.397 -2.650 2.683 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 -5.785 -17.587 3.550 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 0.116 3.708 -6.911 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 0.874 -6.696 -0.350 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 -5.849 7.373 -9.295 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 7.009 -5.052 2.835 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 -2.640 1.911 -0.444 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 9.108 -3.743 3.840 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 5.558 2.947 0.610 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 1.654 3.983 -2.551 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 -27.200 12.320 -5.436 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 9.564 23.124 -33.681 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 0.295 4.452 3.236 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 -5.598 -7.201 16.647 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 -1.060 2.922 6.247 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 0.446 0.590 2.217 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 -3.808 -3.440 5.928 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 8.911 -2.277 19.807 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 3.224 8.181 5.635 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 -1.199 -1.001 3.929 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 5.124 7.361 6.828 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 -1.810 -0.295 4.538 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 1.212 10.726 -3.442 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 3.205 -4.638 2.446 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 -0.248 3.943 -4.301 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 -3.760 6.417 -9.675 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 -4.101 6.677 2.362 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 1.215 6.009 -1.635 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 5.288 8.977 -7.310 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 -3.000 1.973 6.519 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 -1.115 -3.524 3.992 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 -0.555 -24.460 2.340 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 19.587 -10.422 -1.774 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 -0.132 0.670 -2.403 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 -0.139 -1.008 -2.193 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 1.358 -0.012 -1.702 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 0.608 5.258 2.224 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 7.343 -3.188 -6.253 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 -6.873 1.593 13.031 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 -0.573 5.199 0.172 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 3.455 -4.504 10.724 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 -10.482 15.102 -10.704 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 -5.015 6.485 3.065 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 0.765 -18.784 11.238 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 -4.942 15.406 -17.375 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 -1.413 -4.612 -2.555 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 -0.407 -18.279 -17.056 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 8.542 44.600 14.573 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 6.508 4.376 0.191 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 2.586 -3.221 0.493 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 -5.698 11.610 14.037 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 3.432 -3.526 2.849 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 7.489 -6.059 6.146 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 -16.337 3.962 -1.599 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 0.888 0.402 -0.715 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 12.412 3.191 10.371 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 1.236 -16.206 -0.579 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 2.930 -2.067 -0.953 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 13.689 2.187 5.672 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 25.883 11.077 4.781 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 0.015 5.187 0.173 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 -3.285 6.379 12.089 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 1.129 -9.252 -4.715 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 -1.228 -5.761 2.146 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 -9.376 5.123 8.743 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 0.611 10.097 -32.812 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 -5.348 -3.842 1.814 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 -2.144 -0.971 9.174 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 -9.217 -5.989 -9.803 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 3.994 1.618 -4.685 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 1.959 20.437 -17.567 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 -11.532 7.525 -6.833 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 -3.604 1.067 -3.072 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 -6.574 3.017 -15.192 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 7.477 -4.997 -3.687 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 -0.904 -4.530 0.145 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 18.209 -8.234 5.457 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 10.698 -13.186 13.298 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 0.123 2.068 -0.066 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 -3.819 2.842 2.842 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 2.175 7.256 -1.298 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 -3.642 1.107 -0.252 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 4.771 -4.192 -0.673 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 13.791 5.390 -1.862 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 3.163 -2.698 2.088 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 3.545 3.322 -8.759 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 0.098 15.868 -6.331 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 -1.306 -1.449 3.886 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 -12.442 7.281 1.644 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 -4.040 -3.799 -9.710 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 -0.690 1.609 -0.749 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 3.906 2.364 -1.357 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 -19.086 -19.333 -4.986 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 -0.826 -2.854 10.749 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 5.809 -1.492 8.013 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 19.875 1.615 6.347 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 5.426 -4.573 0.142 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 -9.735 -22.128 9.314 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 7.447 -6.363 -4.483 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 2.111 -2.869 0.502 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 -7.590 4.780 -16.491 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 -8.260 4.988 -14.547 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 -6.489 3.528 -0.956 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 8.436 3.580 -3.140 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 -4.565 -0.462 12.830 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 -5.394 4.853 2.203 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 11.324 -9.355 -6.758 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 -7.235 16.578 -6.465 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 1.969 -2.588 -3.128 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 -5.050 -20.997 9.087 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 -3.845 1.702 6.043 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 -5.439 6.808 3.642 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 -0.398 16.799 19.546 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 8.623 22.226 -6.122 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 -0.763 -5.691 0.651 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 8.511 -21.706 -5.559 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 -16.712 7.760 3.169 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 -0.274 1.370 5.506 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 -0.103 -3.105 4.807 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 2.299 -23.152 3.087 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 0.373 3.774 -0.832 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 -12.569 -16.455 -2.337 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 0.114 5.329 -3.988 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 1.588 -3.162 1.078 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 -0.816 15.641 -5.886 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 -12.099 5.400 -8.375 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 1.282 -0.284 -0.764 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 3.341 -10.030 -8.415 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 3.980 20.464 5.066 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 4.347 -6.943 -1.553 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 -1.593 -14.225 9.143 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 4.715 7.577 6.334 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 -2.862 -0.142 7.997 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 -2.445 14.764 -8.056 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 -0.003 -3.549 -7.188 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 6.384 -1.114 0.704 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 43.671 30.426 21.077 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 0.308 -6.186 -8.363 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 -7.256 0.668 -2.487 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 16.676 -8.104 19.767 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 9.388 19.075 -25.223 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 -2.960 4.124 7.261 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 -1.115 5.699 -8.941 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 0.450 0.878 -10.930 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 0.442 4.030 -2.564 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 3.844 8.622 11.497 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 4.502 -3.996 -12.529 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 -5.702 -7.531 5.935 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 5.420 -4.512 9.470 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 -4.612 -1.527 -8.150 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 -0.885 -5.093 -3.686 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 -18.167 -2.145 -3.909 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 -3.216 -21.907 12.405 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 4.236 3.403 -2.253 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 3.168 -1.291 -2.949 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 5.601 10.806 -3.606 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 5.036 0.463 7.505 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 -1.137 -12.009 -3.212 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 15.825 -3.930 25.455 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 -0.729 2.335 -1.180 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 2.220 -0.867 -3.655 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 -3.026 1.012 -1.073 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 1.671 0.984 0.094 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 -12.385 13.118 28.473 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 8.796 10.755 -0.458 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 -3.173 1.143 -1.040 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 21.860 -9.713 -11.209 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 0.809 8.491 2.606 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 -5.409 0.125 -4.215 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 25.128 -1.088 -15.830 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 -6.710 -5.016 -12.622 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 -3.621 9.959 -3.676 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 3.988 7.952 6.746 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 1.857 8.308 5.338 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 2.669 2.375 -0.045 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 9.610 8.276 -20.555 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 13.982 -1.993 -23.274 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 -0.190 0.578 1.340 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 1.468 -13.687 -2.907 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 -4.068 7.994 13.985 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 -2.116 -3.794 -0.909 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 20.285 -17.156 6.656 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 3.865 -14.774 -5.531 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 1.922 0.486 1.336 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 3.436 -4.340 4.155 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 0.233 5.418 1.689 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 2.140 -2.665 3.278 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 -11.002 -6.561 21.637 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 0.610 4.824 -4.280 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 -5.845 -0.742 6.268 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 1.809 -0.835 14.991 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 -2.374 -4.237 -0.024 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 -4.532 4.599 0.634 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 -20.710 10.178 -1.855 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 10.240 13.016 4.787 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 5.393 9.751 1.284 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 2.210 11.941 20.769 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 11.554 21.928 -29.402 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 -2.686 -2.466 2.117 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 -12.076 4.370 4.558 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 -3.745 -0.435 6.137 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 -6.423 1.273 2.007 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 -4.824 -6.482 -19.872 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 -8.366 -19.436 -19.928 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 -3.484 -3.021 -2.539 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 -3.743 3.138 -8.680 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 -1.436 2.946 -7.746 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 -6.201 -3.767 1.463 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 -7.899 -7.796 -2.174 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 -4.390 19.656 -3.004 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 -2.545 -0.207 -6.063 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 22.829 -4.650 -13.505 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 -31.702 1.052 6.857 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 -0.995 2.978 3.801 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 1.514 -3.851 10.613 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 10.535 1.390 0.625 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 -0.999 3.624 -1.312 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 13.192 -14.971 -6.813 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 -1.148 0.491 -15.632 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 2.908 -0.724 3.484 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 -30.868 -1.492 13.772 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 27.517 3.142 -12.000 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 4.898 -3.454 -7.242 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 -4.142 -27.541 13.416 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 11.660 12.663 -6.587 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 -3.362 -1.212 -4.169 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 3.503 -1.126 -5.405 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 -6.975 6.864 -8.160 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 0.949 2.169 -0.585 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 3.571 6.140 2.242 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 -4.208 -11.001 7.300 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 -6.950 -4.009 -1.146 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 -3.364 -7.252 -5.917 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 -1.478 -19.192 -21.007 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 3.711 0.966 8.450 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 11.206 4.930 6.833 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 2.482 -1.674 7.905 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 4.302 -1.935 -4.669 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 5.280 4.010 7.333 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 4.124 -1.890 -8.492 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 0.915 -1.781 8.133 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 -8.828 5.087 -22.673 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 -9.964 -31.128 14.075 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 4.924 1.059 3.104 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 6.732 12.473 -16.911 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 -6.983 -3.610 4.558 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 10.658 -2.880 0.255 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 12.959 -1.406 4.187 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 9.238 -10.075 0.103 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 -3.268 -0.864 -2.691 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 -12.272 -3.650 -0.456 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 -5.139 -6.823 -3.968 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 -3.296 0.464 0.994 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 -3.768 -18.391 7.531 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 -11.258 7.709 -6.618 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 6.233 -7.144 -3.750 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 3.982 -1.238 -4.790 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 3.428 0.756 -5.580 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 1.306 1.484 -10.128 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 10.511 0.695 39.073 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 -0.343 -1.378 -4.894 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 -3.966 2.439 1.580 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 -5.850 4.231 -22.112 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 9.262 -26.220 -2.044 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 -1.154 8.195 2.519 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 1.681 -13.520 16.885 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 1.496 -19.991 19.948 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 0.500 6.464 0.612 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 -4.694 -1.759 -3.225 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 -5.771 -0.864 -2.453 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 -0.863 -5.597 0.396 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 -17.485 -8.812 -4.598 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 -1.148 11.968 5.752 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 5.443 -3.648 2.013 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 20.670 -10.542 -12.908 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 -13.819 -17.370 -4.393 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 -1.279 -4.283 -3.125 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 9.007 -10.612 0.629 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 21.870 4.957 14.154 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 -0.774 7.038 1.856 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 5.279 -10.023 1.588 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 0.368 17.198 -8.833 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 0.344 -0.672 -5.129 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 15.811 -9.301 10.654 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 -27.031 2.164 -25.384 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 0.014 -1.174 2.610 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 46.866 13.191 5.344 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 -20.424 2.653 -7.055 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 -0.932 1.163 2.455 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 12.725 -18.586 -19.407 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 21.580 4.641 0.280 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 2.122 -1.312 -2.333 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 -13.755 10.759 -5.659 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 -17.696 -6.234 1.306 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 5.641 1.964 -0.627 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 -7.980 9.146 4.496 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 -34.163 11.316 -11.216 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 -10.365 2.547 -7.357 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 -14.898 15.430 9.158 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 -13.295 11.577 -17.967 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 -2.276 1.469 7.933 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 -12.267 -5.454 6.110 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 -1.744 -0.652 15.627 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 5.114 -4.235 3.841 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 -2.163 9.251 -5.549 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 -0.016 -23.819 -0.429 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 -0.529 3.713 -2.859 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 2.113 7.228 2.352 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 -3.708 -3.019 -13.115 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 -7.363 5.154 -3.160 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 -12.050 -1.805 -10.095 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 -14.253 -5.394 -18.568 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 -4.415 -4.544 2.456 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 5.711 7.140 -6.650 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 -31.468 -15.125 11.621 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 1.223 4.620 -5.781 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 7.253 17.265 -7.796 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 12.432 0.809 8.586 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 3.168 -1.153 -1.131 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 0.473 1.042 -6.268 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 -15.384 20.506 -12.789 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 -7.150 2.896 -2.160 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 -1.906 5.712 -10.764 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 -5.751 2.753 5.768 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 4.313 1.168 1.973 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 0.273 9.630 12.583 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 7.002 -8.726 -6.960 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 -5.643 -0.909 4.808 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 -7.512 6.213 -19.740 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 -10.232 -7.754 -6.406 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 -0.926 0.943 6.228 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 10.106 -2.467 18.955 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 4.933 5.050 -13.399 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 -8.191 4.315 -1.295 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 3.305 -1.031 -19.394 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 -7.304 -3.030 26.082 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 -1.258 3.161 2.994 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 -7.115 5.174 -2.954 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 3.873 -2.961 14.105 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 5.096 -1.781 -1.022 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 2.213 13.230 4.454 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 8.398 -12.975 2.749 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 0.954 2.285 -3.108 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 1.036 10.799 -9.454 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 2.638 8.368 3.811 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 0.648 0.343 2.328 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 9.449 18.418 7.911 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 5.785 -17.404 0.420 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 -0.127 2.038 -0.581 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 -11.205 6.834 -7.485 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 2.984 -7.176 -7.916 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 3.846 1.625 6.229 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 13.079 8.772 5.599 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 0.424 -1.767 6.046 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 -0.600 5.917 4.371 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 11.190 9.796 -7.256 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 -2.329 17.206 4.818 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 4.070 3.328 -3.310 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 -0.260 22.318 2.653 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 -5.710 -40.832 1.187 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 2.805 3.014 -0.711 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 6.674 7.169 4.939 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 1.643 1.946 3.076 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 -2.314 2.135 3.675 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 0.019 4.786 5.815 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 -2.638 -7.513 22.025 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 1.304 7.978 -7.960 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 -10.676 2.290 8.210 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 -16.539 -0.560 8.181 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 -7.903 5.096 -0.963 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 -6.089 15.909 7.843 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 -15.279 -1.413 5.647 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 0.763 3.629 -0.553 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 2.710 -5.422 -11.308 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 -4.083 14.519 -1.896 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 6.555 -4.477 4.468 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 0.132 -6.110 -7.447 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 9.906 -2.301 -6.796 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 0.825 -0.821 -8.113 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 5.925 -19.652 5.615 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 5.143 4.594 10.330 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 -5.020 -7.761 -4.043 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 -7.001 -3.828 4.393 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 13.502 -7.611 -3.284 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 4.438 -3.002 2.306 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 -0.701 -8.051 -18.994 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 -0.944 7.612 -2.724 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 -5.645 -0.639 -1.822 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 1.417 7.135 11.119 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 8.787 4.102 -4.551 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 2.400 -0.412 1.047 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 13.078 -9.628 -22.497 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 9.282 -2.495 4.099 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 5.750 -2.170 1.669 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 -5.349 -4.276 -0.906 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 3.364 0.209 10.436 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 1.870 5.734 -6.711 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 -6.652 -23.535 6.661 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 25.985 18.838 4.990 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 0.743 -2.186 7.862 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 -10.009 -1.719 -29.174 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 -10.976 -25.435 15.622 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 -1.452 -4.369 0.633 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 -12.600 -2.250 -24.301 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 27.071 -8.306 -3.378 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 -2.036 7.574 -3.217 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 -10.796 -17.201 -18.114 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 -20.817 -2.438 -6.579 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 -3.284 0.829 -4.787 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 -5.178 11.683 0.534 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 0.619 -11.380 3.834 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 6.065 -6.770 0.257 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 -6.888 -20.949 -8.649 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 -6.681 8.785 5.677 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 -1.814 -5.973 3.037 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 0.648 -10.388 6.975 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 -13.862 10.816 -13.493 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 -4.468 -3.075 -5.326 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 -9.157 -5.591 -8.412 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 0.378 0.418 12.766 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 2.063 -2.503 1.984 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 -27.770 -13.997 -9.074 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 13.893 1.370 2.354 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 3.041 3.506 3.344 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 -37.236 -4.125 11.727 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 10.427 12.491 5.257 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 6.038 -0.253 -1.008 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 -17.029 2.851 7.277 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 13.202 3.081 -23.629 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 -0.588 1.712 -4.929 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 -0.936 -2.933 5.899 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 7.726 13.207 -5.721 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 -3.012 1.843 -2.784 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 -5.489 -10.131 -17.361 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 3.117 -9.090 -13.985 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 3.440 2.084 6.054 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 4.080 -7.053 -5.658 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 -2.550 8.089 12.916 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 -3.785 -4.037 1.350 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 11.628 -13.523 17.237 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 -3.032 20.689 30.001 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 -0.349 -1.914 2.713 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 -11.191 -14.852 5.827 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 2.516 -6.012 23.583 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 4.780 -0.161 0.522 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 -6.661 -10.221 -6.347 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 -2.477 7.744 10.489 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 2.506 0.491 2.816 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 -6.194 4.367 6.274 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 1.850 -4.528 3.387 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 0.201 -7.574 -2.654 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 0.514 6.771 -2.909 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 0.380 -8.721 -6.673 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 0.521 0.225 1.301 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 5.379 -6.759 5.625 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 17.596 1.370 2.171 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 -0.878 3.007 1.560 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 1.854 -7.607 -9.922 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 -18.547 8.829 0.741 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 1.651 -2.882 -1.625 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 0.861 5.821 -1.360 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 21.135 9.441 15.252 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 2.681 -3.676 0.093 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 0.002 0.673 5.954 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 -13.966 1.148 14.144 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 0.072 -3.370 -0.141 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 -19.081 -27.138 -1.345 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 -4.978 14.068 8.530 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 -0.577 -1.454 2.867 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 10.152 8.139 1.055 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 -15.008 -11.089 14.294 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 2.437 4.866 -3.909 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 0.579 -9.383 7.942 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 -2.852 -9.850 -7.884 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 -2.653 7.905 -2.093 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 -34.276 -7.756 -47.925 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 -16.411 -8.777 -3.149 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 -2.035 4.757 7.859 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 -3.339 0.016 10.804 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 1.483 3.557 10.730 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 -6.667 -0.571 4.022 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 4.894 -12.112 20.474 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 -11.724 2.445 -8.343 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 -2.104 -5.005 -2.915 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 -5.510 7.150 13.827 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 -17.665 -12.409 1.546 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 -4.400 -3.564 -1.848 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 10.065 -17.841 10.755 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 -13.110 7.378 15.117 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 4.187 -1.031 -2.215 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 3.120 -6.731 -6.927 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 -3.297 13.461 12.350 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 3.956 6.901 -4.470 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 -4.841 -18.873 12.575 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 -4.448 -0.546 -10.141 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 6.299 -1.910 3.185 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 -2.310 1.794 -22.056 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 -0.821 10.299 6.661 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 -1.047 5.027 -9.882 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 12.485 1.186 15.703 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 18.994 5.892 19.049 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 3.491 -2.616 -3.239 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 -13.195 45.605 -1.972 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 0.954 3.013 -5.539 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 -1.184 -6.154 1.680 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 -0.451 9.154 10.609 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 -0.588 -18.869 1.731 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 -1.219 1.795 -5.908 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 -1.629 -2.613 4.304 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 0.943 3.049 -4.862 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 -0.544 3.218 -0.284 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 17.691 -14.426 -4.827 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 -32.254 22.046 15.994 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 1.071 4.961 -5.824 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 14.737 2.885 -8.493 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 7.696 3.828 -7.871 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 8.008 5.206 -2.180 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 -1.981 8.021 -15.178 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 23.739 0.037 15.811 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 2.277 -3.720 0.620 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 -0.729 -12.506 -10.901 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 -0.220 -2.797 5.145 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 2.433 -1.263 -2.758 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 8.624 4.608 4.851 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 6.827 16.449 -6.492 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 2.806 -9.715 0.084 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 -10.119 3.854 1.468 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 2.297 -5.803 12.380 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 -0.488 1.902 3.688 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 -11.672 -0.940 3.191 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 -10.601 4.140 3.152 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 -5.341 -2.402 -6.686 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 6.239 -3.391 -8.570 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 -20.667 -15.525 1.070 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 3.409 2.149 -3.267 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 -6.681 -6.595 5.880 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 4.632 2.527 2.699 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 1.311 0.500 -5.496 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 -0.982 0.082 -8.004 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 2.219 0.849 -3.830 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 0.218 7.955 0.084 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 6.010 1.783 -15.806 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 0.152 -17.095 -2.292 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 -3.468 1.758 3.691 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 -15.449 -10.309 -11.310 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 -11.025 -11.832 -1.388 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 7.680 0.109 -1.625 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 11.636 -2.220 -5.881 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 9.454 -10.248 1.999 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 4.468 -0.881 -1.575 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 14.638 20.657 4.124 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 -3.232 9.248 -1.149 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 0.872 -4.129 3.615 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 13.057 -6.557 -9.639 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 1.670 -9.821 -8.522 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 -1.831 2.429 9.829 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 11.050 11.775 2.350 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 -24.833 -2.035 -3.288 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 2.595 0.490 -7.952 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 13.087 37.409 8.920 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 5.182 8.671 -4.424 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 -2.718 0.245 1.878 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 -0.571 5.983 11.144 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 4.784 4.914 1.636 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 -2.178 1.052 -1.989 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 18.232 -6.122 14.705 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 -11.048 16.301 17.775 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 -2.451 2.759 0.092 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 2.371 -13.859 11.668 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 0.321 17.057 14.133 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 -2.029 -0.586 -0.494 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 3.376 -5.197 -9.844 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 5.251 5.780 0.184 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 3.478 7.464 -1.794 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 -11.445 2.538 27.630 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 6.653 16.332 -2.304 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 -0.133 -0.398 -1.506 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 -0.816 -19.657 3.862 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 -12.581 10.489 12.128 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 2.727 2.813 -4.916 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 12.100 6.286 5.649 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 4.958 18.120 17.199 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 3.300 -7.211 -6.890 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 1.589 -5.606 -12.474 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 -7.701 3.188 -3.054 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 -2.005 -2.299 -2.947 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 -8.001 16.525 -2.789 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 -7.862 4.001 24.031 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 4.727 -1.567 -0.487 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 -21.506 0.819 3.213 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 9.676 6.669 10.293 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 -1.164 3.952 5.533 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 -2.905 -0.105 10.423 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 -24.191 0.072 37.283 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 -2.255 0.283 -0.106 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 -21.110 15.143 15.835 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 -2.919 -0.825 4.895 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 -5.270 -1.797 2.806 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 1.239 -9.819 12.250 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 22.822 -21.438 -1.062 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 -1.953 0.622 0.426 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 -22.562 4.602 -8.689 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 14.660 5.274 3.995 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 1.942 0.355 3.679 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 4.794 -1.843 0.305 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 -7.793 3.056 1.800 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 -6.543 2.557 1.740 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 -17.291 6.051 -1.638 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 1.438 4.225 -8.776 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 0.610 -2.728 0.588 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 -0.820 0.080 5.084 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 -9.721 -16.778 10.458 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 -1.162 7.758 2.257 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 -31.269 17.609 14.718 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 13.147 0.051 10.576 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 -7.854 -4.556 -0.551 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 -13.569 -17.599 -17.956 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 -18.634 -5.694 4.738 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 -0.743 -0.973 -2.861 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 1.032 11.326 6.316 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 -13.313 -10.567 5.294 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 0.500 -1.051 2.559 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 6.128 3.633 -3.295 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 -2.042 -17.909 -13.861 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 -3.534 2.465 -5.459 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 -13.572 -10.891 -21.226 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 -13.117 2.213 -9.806 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 -2.005 2.379 -0.262 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 -4.745 -1.022 2.823 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 -13.832 -10.685 3.670 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 0.210 0.678 3.358 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 35.899 19.840 5.444 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 14.476 7.688 4.556 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 3.352 3.273 1.712 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 4.523 16.375 7.967 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 3.598 1.234 11.050 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 6.142 1.635 -0.186 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 -6.306 7.468 -14.079 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 -14.308 -20.210 13.896 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 -1.159 2.774 -0.467 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 -5.337 -12.297 -3.323 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 2.638 10.872 -10.436 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 5.537 2.284 6.688 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 -9.466 0.290 23.615 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 -9.036 7.627 -7.082 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 2.208 6.423 0.693 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 17.668 -4.970 -0.497 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 -9.571 0.895 11.653 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 3.719 2.084 6.553 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 2.761 3.184 3.792 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 0.915 0.742 8.148 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 0.097 6.806 -5.411 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 2.109 -2.566 16.615 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 3.660 -6.306 21.647 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 -1.430 0.880 -2.519 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 10.351 -0.689 -12.988 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 -15.387 7.117 15.000 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 -0.036 8.355 -7.899 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 -2.402 8.136 5.284 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 -2.838 15.113 -28.718 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 3.875 -4.371 -0.667 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 -11.343 -7.258 -10.227 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 -3.023 -5.137 -7.295 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 1.669 5.630 -0.112 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 -14.691 -5.878 -22.065 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 0.447 19.557 18.931 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 -4.060 -3.235 -0.606 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 5.244 19.903 -8.600 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 -5.259 -0.664 -10.120 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 -0.503 1.136 -3.130 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 -1.897 8.834 -10.374 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 3.139 -7.851 22.283 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 -2.035 -3.864 -2.040 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 12.427 -20.772 -4.111 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 4.446 8.825 -10.446 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 -3.210 -1.827 -0.471 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 1.235 -0.469 -10.495 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 1.665 -13.682 0.895 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 2.613 2.064 3.249 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 -8.630 -5.880 1.503 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 7.339 9.861 -0.599 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 -0.665 1.653 -0.675 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 15.660 -3.476 -5.435 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 -2.380 1.890 -0.458 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 1.327 -4.525 1.145 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 -13.248 -23.577 19.404 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 0.322 -4.363 -1.421 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 0.086 -0.231 2.008 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 -9.478 -21.166 -7.142 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 21.723 3.043 -0.911 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 3.434 -11.549 -2.889 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 -16.128 2.184 -16.521 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 -3.404 -25.600 12.187 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 2.608 0.013 3.779 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 -0.782 -8.193 4.286 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 -9.069 -4.549 -3.590 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 1.866 4.387 -2.626 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 0.138 -14.081 -5.214 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 6.154 7.332 -10.321 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 -3.110 4.470 -9.326 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 -6.554 4.961 -16.882 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 -12.770 -15.605 -0.933 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 7.376 5.499 -2.218 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 14.699 -4.849 4.773 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 -7.393 -32.735 -0.266 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 1.828 1.814 0.055 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 3.247 5.542 -1.193 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 10.758 2.642 -8.928 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 -5.369 -0.451 0.075 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 5.477 -18.276 17.367 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 -2.567 1.067 6.672 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 -9.763 -5.601 3.160 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 -13.557 -24.175 -3.221 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 -18.693 -8.645 -5.347 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 -0.827 -5.202 -4.464 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 -4.219 -9.443 22.442 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 -5.483 -3.534 9.411 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 -6.112 0.794 2.877 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 -19.650 1.776 11.588 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 -18.498 -10.875 4.013 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 1.701 -1.751 -6.611 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 -2.414 -22.428 -2.472 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 -13.631 5.579 7.269 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 -3.426 3.281 -3.498 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 12.525 12.450 1.802 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 11.903 -20.478 7.452 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 3.094 -3.126 -1.703 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 24.548 2.255 0.664 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 -3.128 10.704 -0.425 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 0.326 -0.529 0.871 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 6.268 0.839 15.090 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 13.707 -8.436 -4.397 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 -0.224 -1.734 0.608 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 4.111 -2.946 -9.706 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 25.237 3.126 17.307 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 3.781 -4.274 5.039 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 -15.458 -23.143 13.076 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 -0.410 -12.958 26.993 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 -0.181 -0.573 4.655 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 -10.357 15.436 -6.270 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 11.726 -5.556 18.617 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 2.079 -4.629 -1.427 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 10.833 -13.658 3.293 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 -3.817 9.669 5.661 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 -7.485 -1.669 -1.964 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 -5.426 -2.412 -3.331 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 -8.867 -5.348 -3.959 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 4.589 5.282 -0.468 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 -13.802 1.237 13.151 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 23.774 11.555 -9.105 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 4.058 -1.889 7.167 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 -1.652 6.309 9.761 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 9.889 8.869 18.493 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 0.399 4.154 -2.151 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 0.916 6.026 -11.994 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 8.860 7.617 -7.198 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 1.026 2.910 7.131 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 2.378 -12.383 -7.564 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 1.116 3.720 6.671 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 0.245 -4.221 -2.093 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 4.743 -2.401 -9.176 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 -4.555 29.302 3.678 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 -4.560 -0.248 -1.575 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 5.604 1.249 -5.336 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 -8.663 10.642 -24.060 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 -3.602 -8.886 2.487 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 -0.682 -11.660 13.349 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 -12.545 4.827 -14.736 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 -0.983 -3.976 5.935 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 -12.355 19.728 19.899 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 1.407 13.137 5.720 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 4.339 -1.361 -2.927 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 -3.017 -2.826 -9.854 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 2.646 -8.445 1.960 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 1.492 4.708 -3.758 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 -3.161 7.596 -18.985 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 -10.164 5.706 5.330 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 -5.429 4.908 6.005 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 -3.957 7.019 5.828 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 -10.179 -8.945 8.529 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 -4.247 2.348 -10.315 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 -1.780 13.974 -10.228 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 0.998 -1.888 -19.901 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 -4.234 -0.070 -2.302 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 -16.536 -3.515 9.463 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 13.654 -2.216 5.254 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 6.156 -5.939 -1.420 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 19.996 2.399 25.392 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 7.318 -18.622 1.185 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 2.308 -0.423 1.390 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 14.938 7.274 8.326 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 -7.168 -10.327 -0.241 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 -8.776 0.851 -1.144 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 -16.744 -8.928 -1.615 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 -26.212 5.864 14.035 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 -2.906 -2.012 3.270 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 3.854 7.422 -1.616 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 -18.256 -4.226 2.595 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 -5.070 -0.050 -1.521 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 -1.844 -18.192 6.002 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 19.159 3.243 -3.200 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 -1.783 -4.561 7.542 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 10.665 7.185 0.787 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 -10.139 5.089 8.002 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 2.648 -2.032 -1.255 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 17.160 0.265 14.530 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 13.530 5.282 10.129 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 -8.505 -5.161 -1.208 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 8.533 -11.241 6.785 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 -7.822 -13.099 20.005 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 1.527 -0.760 0.058 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 -7.283 2.443 -12.734 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 -0.165 -0.035 14.805 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 -4.867 -0.884 -3.420 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 -1.295 -1.879 -21.186 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 6.026 3.788 3.561 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 2.260 1.619 5.112 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 3.946 21.716 -32.575 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 18.541 39.330 28.561 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 -4.388 -5.727 -2.486 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 10.861 -4.430 -6.080 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 -8.326 7.208 -11.454 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 -5.089 -0.241 -2.215 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 -14.995 3.349 7.399 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 -10.255 -13.021 -8.122 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 -6.384 2.326 2.916 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 22.068 2.069 17.077 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 -6.069 7.183 3.537 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 3.527 -2.051 -3.288 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 -2.701 -4.079 -3.351 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 -4.232 -5.522 -1.014 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 -1.193 -3.404 4.057 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 27.564 -2.317 -8.135 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 7.255 -14.773 7.478 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 -0.857 3.101 -0.291 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 28.676 -14.441 -11.136 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 3.069 2.828 -0.771 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 -2.237 -6.376 -4.684 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 -11.181 -15.832 0.941 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 -1.851 -8.359 -5.729 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 0.650 -1.733 -1.706 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 0.335 -9.398 -9.646 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 5.963 -5.395 7.926 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 -1.953 -1.309 -3.361 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 -12.412 14.138 -2.591 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 1.281 -5.442 1.602 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 0.474 3.170 3.631 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 5.637 15.622 32.778 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 -11.178 -4.421 -10.885 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 1.346 -4.650 3.238 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 -3.525 2.127 2.145 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 25.788 11.243 -6.225 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 4.696 -4.570 -5.541 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 8.658 11.222 -4.502 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 -4.275 -12.462 10.281 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 -7.787 -0.037 2.555 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 12.190 -11.885 12.207 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 4.026 0.199 15.775 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 3.325 -5.379 4.571 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 13.060 -8.190 -2.757 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 24.396 28.416 -6.439 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 2.129 9.100 -1.674 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 -1.262 -3.331 -1.744 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 13.520 -14.831 -7.326 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 -9.076 2.320 -0.513 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 -5.800 -11.908 -0.407 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 -13.247 6.328 7.717 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 11.250 -0.371 -1.991 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 -1.901 -2.840 -38.320 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 27.875 -14.383 -5.129 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 -0.834 3.024 -3.225 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 -0.310 6.379 -3.916 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 -6.016 2.243 -3.318 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 3.735 -4.994 2.333 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 -3.403 4.298 -4.190 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 1.979 -5.959 3.448 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 1.235 2.376 -3.156 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 -4.274 -8.247 6.907 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 -1.628 -6.809 4.381 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 6.932 4.004 -4.321 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 -23.666 -0.543 10.645 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 22.455 -5.383 -0.515 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 -3.289 -5.498 -5.312 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 -3.030 4.576 13.823 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 2.349 -19.065 -19.375 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 -2.817 -0.929 3.451 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 6.472 0.685 16.201 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 4.491 9.849 -9.354 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 3.853 -3.386 -2.804 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 3.140 -4.513 -6.192 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 0.142 0.271 -1.925 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 1.426 -5.465 0.542 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 4.589 -5.839 2.889 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 -2.066 -1.413 -0.934 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 -0.853 5.850 -2.390 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 -5.406 -6.686 -20.278 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 -1.023 15.890 -2.052 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 0.142 2.559 -1.570 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 16.372 -12.132 22.184 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 4.742 5.873 1.246 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 0.946 -3.493 -0.015 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 -0.904 5.203 0.738 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 -10.572 -9.712 5.670 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 1.623 -6.781 -4.977 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 -5.294 2.747 -22.234 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 -15.714 -3.200 -14.987 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 7.949 -3.771 0.581 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 -1.270 -1.332 3.316 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 -3.529 -3.549 7.092 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 3.126 5.020 0.434 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 4.654 -17.482 -4.186 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 5.878 -9.134 14.683 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 -2.121 4.999 3.008 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 15.327 6.473 1.043 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 8.941 -10.170 1.210 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 4.985 -3.006 7.109 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 1.333 -16.858 9.877 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 5.559 -12.689 10.296 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 2.233 -0.811 -0.313 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 -3.074 0.252 0.291 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 -6.546 8.191 -11.720 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 1.167 2.111 -3.114 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 -4.791 -10.780 -1.426 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 5.463 4.997 8.002 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 -2.734 -0.970 0.971 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 -7.216 -2.959 7.983 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 2.134 3.182 -17.055 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 5.500 0.878 0.843 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 0.421 -4.610 14.695 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 25.942 -10.444 6.723 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 0.481 6.668 2.233 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 -3.513 -7.578 10.671 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 8.463 -28.877 3.301 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 -4.708 -1.992 0.449 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 22.565 -14.666 0.727 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 3.558 -4.375 3.544 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 5.616 -2.898 -2.112 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 -4.281 15.343 -3.414 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 11.807 -14.804 -5.771 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 -0.727 -6.172 1.335 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 0.668 -5.180 -0.476 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 -3.394 -5.517 2.610 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 -2.625 -1.977 -1.034 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 -12.497 -32.324 0.702 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 25.244 7.282 5.504 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 3.903 -0.415 -1.659 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 5.061 7.683 -0.771 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 -1.590 6.602 -8.724 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 0.467 -3.730 1.398 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 -3.762 -7.321 9.235 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 5.714 -9.653 -4.642 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 2.646 -0.336 3.678 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 14.115 7.916 -3.654 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 4.293 -5.865 4.836 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 -0.236 -0.065 9.031 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 -18.333 -5.531 -3.530 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 4.402 15.240 -5.009 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 1.671 -2.403 -0.010 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 5.070 -5.839 12.381 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 -3.822 -1.547 0.609 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 -2.026 -0.375 9.221 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 -8.143 -10.541 21.142 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 -2.048 -1.798 10.168 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 -0.051 1.597 -0.456 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 -19.364 -5.001 28.124 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 10.005 -3.676 -4.091 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 -1.807 -2.319 -0.628 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 6.872 9.799 3.578 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 5.614 4.305 14.219 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 -4.435 8.541 2.976 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 3.862 7.024 4.908 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 2.988 8.492 4.387 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 -5.646 2.064 0.166 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 -15.652 -9.332 1.135 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 3.626 2.368 14.303 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 -4.624 -2.557 -5.691 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 -3.590 1.488 17.483 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 7.011 3.301 -17.323 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 4.567 5.759 2.278 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 8.085 13.158 -0.813 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 -40.378 19.146 20.631 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 -6.056 -0.010 2.148 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 6.516 4.488 -22.599 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 1.539 5.633 21.401 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 -1.631 5.209 1.719 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 -19.363 -0.353 6.257 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 21.591 18.965 6.262 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 -3.774 3.213 2.680 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 2.735 0.896 8.918 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 16.364 18.025 -6.890 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 1.271 2.373 -0.240 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 6.745 -6.959 10.348 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 -2.628 -7.386 26.185 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 4.116 -1.154 0.482 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 7.169 -32.468 13.413 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 -5.008 -21.859 -10.177 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 2.338 -3.225 -3.086 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 -14.277 4.068 10.478 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 -2.024 -4.817 -9.077 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 -1.349 1.650 3.654 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 19.486 -12.669 8.327 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 -6.123 3.846 -16.879 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 2.115 3.305 0.355 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 7.106 2.279 3.988 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 -7.342 9.077 -11.480 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 2.703 -6.867 3.067 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 -18.600 4.791 0.657 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 7.505 -9.466 3.058 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 -5.270 3.945 -0.017 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 18.374 0.285 -26.470 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 -16.422 11.768 10.133 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 3.918 -2.609 -2.682 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 -15.826 -17.793 -2.839 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 15.578 -9.546 -18.868 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 -2.420 4.964 0.326 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 -5.413 8.191 3.605 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 -4.906 9.798 5.772 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 -3.042 -1.991 2.813 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 -3.608 -0.443 2.768 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 -0.825 -9.944 1.131 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 -1.651 8.679 1.433 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 -6.006 11.911 24.675 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 5.311 1.509 -18.089 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 -2.432 -0.061 1.041 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 -8.830 8.264 -6.752 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 1.770 1.242 -8.309 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 2.398 0.321 3.968 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 -6.769 17.220 12.460 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 24.726 9.456 -5.486 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 -5.423 10.197 -4.069 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 1.313 18.093 4.331 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 -11.789 2.739 2.116 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 -4.785 -5.807 0.449 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 11.891 6.536 -12.164 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 -3.749 -19.671 18.982 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 0.920 1.249 -5.920 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 -11.421 -4.076 -7.927 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 -34.890 10.698 7.205 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 2.375 1.976 0.878 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 -2.628 1.052 5.404 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 10.416 -2.187 2.499 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 -4.206 4.111 -5.928 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 -3.915 10.671 -6.562 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 11.059 3.691 -36.284 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 -7.179 1.223 -2.222 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 -6.098 5.075 0.471 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 -30.014 -25.418 9.210 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 -0.205 1.080 3.175 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 -8.377 5.712 -7.520 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 -10.956 14.853 -11.482 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 7.961 -6.907 5.317 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 -8.243 -4.744 -17.443 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 -9.346 -18.432 25.998 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 -6.800 0.819 -2.129 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 0.560 4.328 -8.253 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 -6.124 -0.087 6.169 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 -0.936 0.925 -3.589 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 0.834 -13.476 1.369 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 -3.086 1.482 -10.311 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 2.201 -7.664 -6.759 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 0.317 -16.779 -9.753 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 -2.815 -26.045 -7.175 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 -2.285 -2.316 1.719 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 13.769 -3.732 2.256 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 -7.872 -11.273 -10.827 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 0.482 -2.563 -3.510 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 -0.691 -1.594 -5.151 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 -8.143 -3.380 -1.228 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 5.415 -2.400 3.203 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 -2.063 -1.645 9.318 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 3.206 -10.930 0.670 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 4.324 9.698 4.946 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 -22.478 15.714 -7.026 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 -5.073 0.588 -12.891 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 -6.461 9.174 -3.616 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 -1.093 -12.500 -8.249 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 -32.820 3.918 0.535 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 0.783 -0.599 3.757 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 8.250 1.865 4.321 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 -26.766 -0.750 -17.196 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 1.566 -2.608 -0.134 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 -7.837 12.266 7.082 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 21.104 -0.819 1.557 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 -5.479 -2.245 -0.940 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 -5.662 -11.547 -17.015 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 -6.619 -42.761 14.590 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 -0.245 -4.452 -1.965 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 23.151 19.961 -11.952 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 -11.138 -11.849 -6.780 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 -2.659 -4.017 -2.202 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 9.747 -17.095 2.504 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 4.177 -13.420 3.339 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 2.125 -3.750 2.609 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 10.077 -12.865 2.502 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 17.546 -20.762 3.290 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 4.767 -7.309 -2.696 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 -2.079 -1.527 18.321 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 9.569 4.325 23.265 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 -4.853 -1.425 -5.826 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 -4.703 -19.219 -9.108 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 28.292 -11.527 -9.165 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 -6.398 0.553 1.469 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 0.097 -7.578 -13.641 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 6.149 -10.835 3.660 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 -3.464 1.947 7.124 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 18.844 -3.160 -7.632 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 -16.524 4.381 15.634 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 1.128 -3.322 0.084 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 -0.745 -19.632 -3.661 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 -14.203 -5.498 1.799 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 2.169 1.385 2.756 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 1.474 9.994 10.256 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 10.268 5.588 -6.039 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 3.959 2.109 1.464 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 -33.086 5.140 1.391 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 -17.150 12.051 -0.831 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 -1.013 2.041 -6.960 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 -6.694 -3.784 -11.077 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 2.278 11.025 -8.923 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 -4.607 0.578 -0.218 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 -27.463 -20.036 25.395 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 20.621 5.198 1.960 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 1.831 -0.198 8.642 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 2.645 7.757 8.065 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 35.586 26.690 -10.616 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 0.243 -3.064 -2.354 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 7.082 -24.138 -9.265 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 9.890 9.421 -14.888 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 -1.345 -4.177 -7.552 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 -6.593 -4.757 1.259 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 3.648 -4.070 -14.107 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 0.817 0.290 0.420 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 13.817 10.897 -43.811 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 9.086 13.744 -3.460 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 1.703 0.760 4.191 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 13.710 -2.275 -7.066 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 -0.931 -8.447 -7.357 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 -2.637 -5.128 -2.504 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 1.526 20.466 -13.680 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 0.166 11.861 -8.775 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 -2.050 -8.283 3.024 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 13.661 18.521 -11.633 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 0.939 -16.431 11.408 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 -5.791 -2.601 2.335 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 -18.567 4.345 -13.061 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 8.795 -16.423 -10.757 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 3.779 1.129 3.841 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 4.153 17.513 13.084 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 -6.496 -5.084 -2.696 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 -0.248 -2.517 3.197 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 1.665 -0.289 -0.648 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 -1.588 21.389 0.019 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 -2.464 -0.277 -0.943 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 3.610 -1.023 -17.642 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 -10.603 8.696 2.026 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 3.533 -0.994 -2.956 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 11.391 3.577 -1.248 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 0.063 3.400 1.748 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 2.069 2.225 -0.125 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 -13.670 -6.317 -4.017 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 -5.600 -10.415 0.367 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 2.867 -4.657 1.934 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 -18.379 -13.610 11.092 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 4.547 22.077 -1.470 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 1.448 1.063 3.167 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 -19.545 -15.230 -0.582 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 -13.132 -10.193 0.642 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 3.378 1.373 2.893 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 0.983 -5.329 10.926 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 1.127 -6.296 -15.926 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 2.972 1.850 1.631 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 3.859 0.035 2.267 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 6.876 1.723 8.316 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 -2.210 -7.035 0.305 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 9.386 -12.026 -20.172 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 -6.416 -5.236 9.968 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 1.807 -3.586 4.627 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 8.437 -8.219 -0.196 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 -0.473 -9.936 11.384 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 0.423 7.986 -5.152 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 15.917 -4.989 -0.674 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 7.862 -18.531 -9.301 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 -4.654 -1.177 3.523 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 22.145 12.034 20.553 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 -25.207 -8.871 -4.751 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 1.162 7.502 -2.783 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 -2.350 2.908 -6.285 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 6.713 -15.296 7.337 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 3.024 -3.449 -1.253 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 4.057 -0.595 0.368 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 7.262 -3.840 -8.898 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 3.832 -2.788 -2.635 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 1.922 2.066 2.906 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 -21.121 -12.169 6.266 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 -5.275 -2.169 4.685 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 8.123 16.583 8.783 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 -27.605 -19.548 -2.864 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 -4.340 -5.017 -2.951 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 4.828 -14.221 -5.277 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 14.499 -15.628 -4.154 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 -3.831 5.196 -4.104 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 -6.909 -2.423 -7.138 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 7.051 7.023 0.254 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 -6.061 4.474 -0.116 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 -0.445 12.868 0.160 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 -7.549 16.495 1.720 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 0.758 -4.235 2.438 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 -2.838 15.422 -13.853 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 -2.467 12.505 -10.609 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 -0.810 -4.431 6.032 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 3.815 16.775 -0.443 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 -23.363 -2.603 1.738 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 -0.385 -2.970 0.903 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 1.456 -1.819 19.164 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 -13.643 1.062 0.791 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 2.043 -0.245 -0.652 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 6.144 -1.543 -0.260 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 0.840 0.736 -0.230 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 3.632 -2.612 -0.747 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 -12.755 12.821 10.805 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 3.376 2.649 -26.848 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 2.055 -1.582 1.867 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 -10.042 -9.344 -7.698 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 -28.866 -18.395 -1.165 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 -3.693 -3.833 2.500 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 2.167 6.007 19.106 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 -19.820 3.709 -8.920 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 -0.075 -5.853 3.555 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 -7.407 4.027 0.802 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 2.747 -11.284 -10.429 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 -1.654 -2.388 -0.168 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 -1.434 -0.063 0.249 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 1.445 19.991 3.570 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 0.086 1.241 4.354 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 -6.304 -15.921 9.128 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 14.249 15.668 1.174 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 -4.315 -3.303 -1.489 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 2.082 -5.513 1.307 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 -24.426 -3.252 -28.280 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 -1.688 -2.840 3.254 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 7.138 -19.037 -6.280 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 0.122 17.878 -8.211 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 -0.067 -0.244 1.736 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 3.437 -2.266 -3.922 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 -4.274 2.471 10.099 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 -1.731 -3.795 -3.805 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 4.215 -5.361 -3.741 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 -10.558 2.478 -1.814 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 4.844 3.842 -1.925 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 -6.584 -7.944 1.919 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 -4.039 18.702 -0.529 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 1.128 1.716 2.169 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 -0.333 -8.180 -6.599 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 -19.577 -2.382 10.170 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 -0.366 -2.111 -6.188 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 5.457 6.538 7.448 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 9.400 9.851 -17.476 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 -1.075 -1.593 -0.360 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 7.787 11.628 8.283 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 -8.800 -12.369 14.594 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 -3.467 4.436 -9.367 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 -3.004 14.367 6.417 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 -3.042 -0.359 2.542 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 5.956 3.070 -0.201 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 -26.364 -12.712 -8.527 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 -13.086 18.912 -16.743 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 1.394 3.717 8.022 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 4.217 -8.942 13.553 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 3.236 -13.296 5.653 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 4.079 -8.466 1.728 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 10.417 -18.446 -19.394 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 16.586 4.565 -0.916 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 -8.035 -3.074 -1.639 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 4.251 -3.404 4.137 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 -17.131 23.229 2.360 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 -5.128 -6.352 0.032 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 -9.204 17.103 -29.136 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 8.454 32.130 -20.234 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 -0.920 -5.088 1.945 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 -0.848 -8.660 -19.359 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 -4.871 0.111 1.445 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 8.297 1.568 -5.502 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 -13.350 -17.197 -0.425 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 24.070 -9.677 15.298 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 4.468 1.897 -2.177 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 8.456 6.172 -1.448 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 9.600 -7.429 -9.881 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 3.241 -1.236 -0.690 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 4.149 -8.707 -11.386 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 -39.600 -0.567 7.790 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 -3.237 -0.994 -0.016 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 2.133 7.495 -10.106 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 2.227 0.376 5.192 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 -2.909 2.471 2.818 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 0.334 0.273 3.395 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 2.855 -1.099 4.164 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 -1.017 -2.011 1.366 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 1.974 -9.468 24.903 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 12.318 3.503 -12.362 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 -1.519 0.109 4.076 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 14.204 -7.151 11.273 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 -1.106 -11.699 -9.508 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 -4.906 4.409 9.406 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 17.308 5.790 -6.894 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 8.429 -9.125 1.478 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 3.672 -2.801 2.136 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 -24.781 -13.425 -2.332 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 11.954 -1.311 18.237 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 -4.724 -4.572 2.907 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 -9.308 -10.867 11.712 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 3.066 -6.060 13.890 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 1.698 1.001 0.342 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 2.528 5.940 5.601 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 -1.630 -9.942 -2.651 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 3.289 -4.958 1.319 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 -0.988 4.827 2.284 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 -1.717 -10.927 9.116 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 3.624 -0.454 0.148 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 -23.532 29.715 20.285 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 -7.258 4.475 -5.108 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 2.781 4.042 -1.501 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 -7.133 2.936 -13.293 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 2.518 3.669 -1.562 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 0.520 -8.921 3.744 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 -0.414 -11.080 13.173 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 -2.545 -8.439 8.090 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 -0.596 -7.162 1.037 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 -3.342 7.060 -5.758 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 -1.155 0.319 24.810 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 1.182 -3.923 -2.246 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 12.625 -14.210 -29.370 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 -6.781 1.003 7.087 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 -3.744 -3.134 0.635 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 -21.958 5.408 -9.545 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 3.613 8.712 17.143 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 -5.959 1.366 -5.961 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 -3.337 1.865 -4.459 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 -11.493 1.336 9.925 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 -0.175 -3.581 -4.777 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 -4.736 -2.007 -6.260 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 3.567 -8.432 -3.795 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 4.824 -0.141 -0.708 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 -2.218 6.691 17.152 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 1.031 6.215 6.776 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 -7.585 2.292 1.463 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 -16.440 -17.612 -0.586 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 1.506 9.039 -1.334 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 0.713 11.606 -1.908 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 2.879 8.087 -7.610 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 3.438 13.985 -1.540 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 -4.157 -0.651 1.385 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 4.540 -17.494 10.738 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 5.390 16.110 13.241 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 4.354 1.873 4.714 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 1.567 -1.256 -10.921 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 8.101 -7.827 12.781 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 -1.440 -0.155 2.074 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 -15.835 22.205 -1.583 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 -9.314 -19.554 8.283 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 2.206 3.954 4.838 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 -9.864 5.736 5.609 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 -9.933 1.033 -0.065 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 1.541 -0.793 0.163 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 6.306 10.495 -4.185 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 1.668 -11.488 3.034 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 0.073 -6.461 -1.712 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 -1.220 7.879 -14.967 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 3.619 2.259 -4.489 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 -5.126 -7.506 -2.469 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 -3.219 -5.645 3.689 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 13.005 -0.434 -4.744 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 -3.266 -0.721 0.874 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 6.617 -7.140 -14.825 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 -17.873 -13.442 2.181 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 -2.055 -1.888 4.120 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 -0.338 -0.408 13.854 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 -6.737 -5.709 -16.805 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 -0.346 8.868 -2.315 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 8.256 -5.495 6.940 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 1.228 -3.644 -11.971 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 -1.351 -0.931 2.209 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 -4.321 -3.668 -8.474 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 -9.873 10.748 1.011 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 -2.747 0.041 3.908 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 5.032 -13.062 -8.116 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 15.117 4.868 3.811 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 0.504 2.319 -1.911 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 -0.921 4.274 -8.365 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 -6.469 2.421 -13.214 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 -2.771 0.727 -3.269 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 -10.852 7.724 2.933 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 -7.126 -23.291 -13.926 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 0.495 -3.565 1.755 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 2.553 -14.929 5.968 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 -1.785 10.222 22.800 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 -1.078 0.438 6.254 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 15.750 13.401 11.256 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 -9.322 2.085 3.510 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 -0.650 0.160 4.165 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 -3.138 0.981 -1.309 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 0.687 5.171 2.403 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 0.651 -6.550 -4.137 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 12.539 4.913 4.472 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 12.217 -14.684 -17.329 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 6.418 7.084 2.926 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 -4.791 2.315 3.067 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 1.635 11.933 -15.159 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 -2.432 9.642 5.187 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 -7.727 8.718 9.577 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 -9.038 8.681 17.869 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 -1.308 3.301 -3.492 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 21.299 15.539 6.872 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 -25.572 8.476 12.370 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 5.539 3.829 5.241 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 31.179 6.060 -1.951 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 -7.668 -2.322 10.339 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 -2.322 -1.801 2.213 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 -0.242 -2.859 -0.948 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 0.506 -2.634 5.067 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 1.314 0.711 3.954 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 2.375 -10.480 -0.466 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 8.721 0.017 -0.548 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 5.643 0.913 -1.846 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 5.926 15.193 -6.437 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 5.254 -4.373 6.106 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 6.823 3.656 -1.671 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 5.454 13.813 -6.236 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 6.127 -8.566 4.511 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 0.226 -2.262 -0.314 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 -5.540 -13.118 -4.514 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 -4.614 -7.702 4.045 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 2.979 4.007 -3.431 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 12.946 0.541 -13.540 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 1.653 -4.799 -6.124 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 2.778 0.546 -3.575 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 2.027 -0.383 -7.286 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 -2.754 17.910 -8.338 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 5.671 -0.246 -0.317 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 22.766 -4.240 9.800 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 11.563 15.461 -6.371 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 -3.541 -6.450 -0.600 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 -13.010 -3.145 -2.883 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 5.868 -6.056 3.438 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 0.762 0.522 -3.442 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 -1.094 7.628 -7.537 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 -6.136 10.397 4.388 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 -2.883 -2.691 -1.448 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 4.844 0.879 -24.370 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 12.697 11.779 -5.592 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 -3.613 0.994 -5.294 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 9.660 -8.733 -11.024 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 -9.318 -4.683 9.659 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 1.215 -1.415 -1.539 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 -0.990 -8.815 -3.347 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 8.733 -0.509 -3.795 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 0.049 -2.844 -3.586 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 5.761 0.012 3.850 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 0.140 -20.319 1.108 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 -4.420 6.181 -9.439 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 21.327 -9.388 -15.999 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 2.015 -8.629 -2.778 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 -6.249 -0.693 -1.631 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 13.437 -14.355 6.008 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 -26.963 13.529 0.859 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 4.000 -3.413 1.893 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 25.933 -15.424 -0.284 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 -7.432 -7.698 -19.644 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 0.957 2.144 2.590 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 0.659 -1.941 -2.515 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 -6.954 2.231 -6.367 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 3.818 -1.077 6.606 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 0.334 -7.515 11.822 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 -13.348 -20.357 12.821 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 3.325 -6.749 -1.791 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 -19.339 1.609 6.337 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 -1.844 -14.281 -17.964 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 -0.238 -6.053 5.993 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 -29.347 -26.485 -33.580 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 -3.096 -6.374 -36.317 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 1.458 2.434 -5.756 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 -2.775 -2.387 -2.608 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 -22.404 -1.813 11.766 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 3.220 -6.430 1.940 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 3.618 5.391 -14.672 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 0.046 -0.086 16.366 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 4.152 4.461 1.349 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 -14.411 14.165 20.261 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 6.881 1.540 -2.688 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 -6.345 -2.404 -0.782 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 -10.758 0.610 -10.352 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 -12.166 1.930 -13.641 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 -4.812 -2.445 -4.715 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 19.043 -7.511 27.587 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 -11.490 12.268 4.241 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 3.210 -8.497 1.260 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 -4.219 -5.306 -0.461 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 22.879 -13.237 8.444 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 -0.471 4.507 2.030 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 20.609 25.140 -0.232 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 2.195 11.655 1.333 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 -6.533 -6.893 0.614 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 6.636 7.222 -3.384 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 7.028 1.850 -12.865 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 -0.416 -7.208 -3.812 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 6.366 -12.817 -18.849 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 5.608 -9.635 3.429 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 0.627 -2.105 3.633 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 6.500 -6.045 2.072 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 2.515 3.902 1.828 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 -1.104 0.229 -2.128 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 14.592 -11.982 -23.468 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 -2.705 11.734 -3.931 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 -6.574 -8.885 4.507 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 -9.461 -2.724 17.170 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 -18.435 -17.615 -6.916 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 3.522 0.163 -2.030 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 15.992 5.072 2.721 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 0.696 2.500 -14.642 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 1.437 5.712 -3.131 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 0.455 -0.215 -15.709 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 13.212 -1.857 -9.048 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 -3.042 -0.270 2.205 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 8.989 -6.820 0.161 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 -6.919 3.596 0.532 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 2.107 -4.033 0.048 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 -3.116 12.662 11.728 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 -9.083 -8.609 -4.048 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 -1.915 -0.142 5.569 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 -9.676 12.547 -5.215 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 5.490 -22.637 16.922 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 -2.923 -4.785 3.325 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 -2.412 -12.673 -14.910 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 3.398 0.475 -8.995 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 -2.623 -7.203 -1.115 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 -11.466 6.510 -2.609 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 12.012 -0.646 3.258 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 3.492 -3.407 -6.467 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 -13.580 -15.012 4.175 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 14.698 10.631 -16.241 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 -4.138 0.641 -1.387 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 -9.043 -4.147 2.632 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 6.598 -12.745 -3.304 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 -6.063 5.797 3.042 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 24.710 -9.691 4.228 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 -13.967 -1.066 -26.513 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 -3.914 -1.721 0.621 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 0.883 -32.735 -2.094 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 6.088 7.506 -3.471 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 2.052 3.005 -7.461 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 -0.356 9.481 3.998 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 -5.518 -5.149 2.993 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 1.251 4.210 -6.733 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 -5.426 -3.448 9.738 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 -2.449 13.582 -18.251 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 1.189 1.249 -4.479 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 21.871 16.674 -0.000 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 -4.184 -10.917 10.592 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 -0.215 2.386 2.418 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 1.997 15.094 -15.803 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 -0.983 -7.072 13.595 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 7.018 -3.127 -6.417 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 6.932 -10.565 -7.367 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 0.505 1.348 -6.519 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 -1.419 -3.945 -2.956 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 7.909 0.013 -8.813 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 2.206 -12.614 3.736 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 -1.060 0.891 -2.306 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 -4.400 3.701 -1.806 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 -5.947 1.716 1.486 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 3.256 -2.715 1.929 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 -1.669 -2.395 2.969 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 3.630 -6.877 0.997 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 -2.586 -9.008 -2.483 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 -4.983 5.203 -12.918 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 -24.486 9.080 6.187 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 2.307 1.071 -1.403 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 32.743 -1.632 10.938 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 -24.658 -3.455 21.372 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 2.501 2.239 4.846 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 -1.698 -15.933 4.844 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 -7.717 -9.447 -0.128 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 -6.182 -1.572 -2.339 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 22.498 1.779 -11.397 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 -15.856 13.388 15.603 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 2.630 -3.812 2.151 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 -6.662 5.568 -3.629 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 5.446 -6.802 4.508 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 4.117 1.571 -2.039 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 -9.912 12.405 0.921 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 -7.007 -11.829 -15.474 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 -4.177 3.531 -6.900 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 6.972 -5.205 6.099 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 -8.140 24.519 -9.486 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 -1.147 1.504 -2.256 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 5.602 1.175 -3.107 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 6.055 7.350 1.502 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 -1.893 0.906 2.784 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 4.218 0.661 -1.173 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 -3.403 8.918 3.666 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 -1.718 -2.398 0.615 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 -9.057 3.895 -25.240 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 0.472 15.328 -11.418 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 -0.508 -5.606 -7.807 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 -2.601 -22.677 -20.882 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 6.052 -15.955 -12.629 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 6.887 3.515 10.134 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 1.478 10.435 -10.556 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 15.500 5.864 15.055 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 6.011 -1.437 0.737 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 -0.670 -19.092 -1.853 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 5.206 -9.348 2.531 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 2.771 -0.394 3.192 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 -0.643 -3.390 1.506 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 5.765 -19.246 -0.593 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 9.403 6.169 0.870 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 9.742 2.416 -0.234 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 7.697 1.877 -19.734 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 -0.011 11.777 -1.236 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 -2.129 10.286 -2.273 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 1.442 11.067 -3.015 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 -1.521 -6.923 -5.365 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 0.347 -4.529 -4.566 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 -11.475 -19.656 -5.953 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 3.345 1.070 2.306 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 -26.120 28.765 -2.371 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 -17.732 -7.146 30.821 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 -0.312 -3.076 5.048 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 4.749 -7.368 4.805 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 6.582 -13.125 4.292 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 -0.297 2.335 -1.093 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 -4.231 -6.360 1.165 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 9.089 0.649 3.546 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 4.770 -6.162 0.049 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 14.838 7.684 -7.900 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 1.110 -2.344 -5.860 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 0.891 1.219 -0.197 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 0.881 1.214 -0.181 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 0.638 1.618 -2.629 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 0.232 4.725 -1.168 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 -14.251 6.091 -15.724 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 -5.338 1.838 -1.901 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 1.546 -3.653 0.801 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 7.221 -16.945 11.371 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 -8.940 -28.287 -22.036 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 -3.132 6.140 -1.971 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 -1.701 6.267 -1.333 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 -2.045 8.997 -6.671 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 4.466 -2.575 7.983 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 8.784 -4.909 6.307 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 -25.132 13.098 20.740 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 3.391 3.658 -5.426 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 4.866 -2.311 -9.742 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 6.261 3.028 10.958 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 -2.487 -0.061 0.057 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 -4.002 -10.770 3.172 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 -3.375 0.897 11.968 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 0.356 -3.959 5.450 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 -4.511 7.139 19.877 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 6.578 -5.204 -2.100 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 8.648 -1.972 2.785 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 1.948 -0.961 -2.285 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 12.052 2.818 -2.563 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 -0.958 -4.575 1.553 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 -4.133 5.012 -11.471 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 -7.954 19.652 -32.480 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 2.484 -0.128 -1.684 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 19.226 5.603 -11.545 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 -7.185 8.576 -9.870 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 -3.983 3.697 -9.644 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 19.199 7.544 6.202 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 9.591 -3.362 12.871 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 -2.099 0.990 4.008 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 5.812 7.928 -14.796 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 -2.880 -8.248 17.805 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 -2.885 1.332 -1.760 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 -31.909 6.242 -4.938 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 -6.965 0.856 -2.006 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 -8.288 4.560 8.435 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 -5.710 -15.409 7.946 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 -16.817 -39.340 6.176 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 -3.220 5.759 2.591 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 -14.326 7.154 6.028 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 -35.485 11.357 11.314 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 -10.588 -2.079 -4.957 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 10.723 11.284 -9.649 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 14.672 13.876 -12.781 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 -0.554 2.643 1.822 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 7.388 10.457 7.040 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 -2.828 -1.805 -1.700 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 1.323 3.057 -0.803 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 28.948 -22.414 13.980 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 -8.015 -1.454 10.173 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 0.779 -6.423 -0.174 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 -12.867 -10.487 13.891 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 6.247 -7.617 10.957 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 2.016 -2.209 -2.950 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 -22.596 -5.212 -6.904 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 -9.199 22.255 -5.849 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 5.942 2.292 8.276 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 10.546 9.376 -8.379 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 3.724 3.001 12.306 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 2.377 1.285 6.748 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 1.443 -5.016 5.263 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 -8.924 0.335 6.684 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 4.751 -1.883 3.513 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 1.507 -2.573 -1.921 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 0.519 -8.087 10.923 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 -1.512 4.161 9.161 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 -18.289 10.035 -16.771 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 -17.770 7.471 3.962 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 5.606 -1.839 7.498 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 15.126 14.124 -9.806 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 1.039 11.179 -5.672 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 6.986 10.210 0.709 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 15.466 18.682 -2.075 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 0.118 2.417 7.212 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 -0.035 4.640 0.353 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 -6.358 -16.506 -6.580 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 8.027 -5.940 -0.806 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 6.692 -3.039 5.335 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 -3.633 11.037 7.775 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 5.503 -5.240 -4.817 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 -9.699 -0.818 -4.152 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 -0.880 -0.048 2.426 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 -10.997 1.551 -14.647 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 -0.480 9.421 1.170 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 -1.927 -21.103 5.489 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 -18.410 -6.292 -19.947 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 -3.167 1.912 0.569 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 -6.640 4.802 1.655 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 -10.949 -12.760 0.720 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 2.604 5.253 0.219 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 -5.051 25.042 -16.228 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 4.291 1.743 5.844 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 -8.050 -1.554 -2.534 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 -6.620 -12.037 3.470 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 7.062 10.776 -19.334 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 1.972 -4.869 4.645 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 -1.575 -11.259 5.283 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 -3.874 17.173 5.413 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 -0.931 2.797 -2.693 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 -4.901 6.870 2.696 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 -4.006 25.184 -5.686 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 3.354 2.806 2.556 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 0.894 4.605 2.743 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 6.897 3.594 5.063 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 -3.243 -2.116 -2.176 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 -2.959 -3.157 3.304 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 -7.703 -6.157 -12.278 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 -2.358 6.893 5.088 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 -0.205 2.698 3.489 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 -6.034 27.313 14.677 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 -2.276 2.481 0.914 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 -2.199 6.717 -13.338 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 3.635 4.821 28.644 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 -5.923 -5.583 -1.891 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 2.649 3.421 -15.540 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 -15.939 8.837 6.081 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 0.072 7.435 -0.913 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 14.229 -8.445 -11.347 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 12.417 -12.036 20.155 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 5.610 0.433 -9.256 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 6.676 -3.390 -22.979 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 17.685 -0.659 7.210 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 -1.307 3.294 2.556 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 -2.602 -27.015 -2.451 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 -4.966 12.464 8.459 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 3.174 -2.294 -1.424 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 -1.873 -9.089 3.731 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 5.396 -3.932 -0.311 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 -1.826 -1.094 -4.252 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 2.725 6.201 -4.230 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 12.902 -20.696 15.780 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 -2.498 -7.300 -1.038 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 4.347 7.618 3.759 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 -8.728 1.264 -1.065 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 3.526 4.760 -2.657 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 -0.090 2.488 -0.838 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 3.852 6.425 0.249 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 -0.218 2.328 -0.723 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 14.987 -14.342 10.414 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 9.597 28.505 1.184 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 -4.114 1.337 -0.391 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 12.680 16.385 0.551 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 9.923 10.631 -12.942 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 -0.304 -0.182 -1.395 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 11.134 14.449 18.261 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 -14.417 -20.189 4.203 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 -5.353 5.308 0.107 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 -12.268 9.194 29.464 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 -8.822 -1.091 -2.170 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 0.422 4.021 -1.021 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 -2.537 -7.259 -20.746 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 1.986 14.782 14.289 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 2.063 0.090 0.797 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 11.056 2.072 4.248 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 8.185 18.638 6.817 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 0.527 -4.255 9.428 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 9.909 10.525 13.399 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 -10.215 1.701 -5.490 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 3.931 3.644 1.725 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 12.340 32.443 2.264 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 -23.178 5.735 13.678 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 0.884 11.489 -5.818 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 -5.370 46.120 -6.355 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 -25.672 5.106 -4.529 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 4.917 -3.723 -7.506 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 -23.221 3.100 9.671 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 0.716 -6.370 -7.969 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 1.364 8.645 0.150 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 1.833 19.079 -1.958 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 -0.016 -7.630 5.820 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 7.399 3.961 3.865 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 -1.719 9.964 9.554 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 -1.628 -0.293 -1.454 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 2.745 -0.599 -1.875 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 10.669 -10.345 5.321 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 -13.627 -2.394 3.214 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 -0.815 5.763 -0.257 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 2.486 7.578 -2.710 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 -15.140 2.491 9.293 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 3.748 0.984 -7.057 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 5.033 2.076 2.741 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 -8.437 18.974 -32.519 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 -2.291 -3.555 -2.515 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 6.751 6.297 -12.226 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 -16.425 -4.000 13.715 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 -1.212 5.879 0.325 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 -0.258 1.442 9.638 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 3.413 3.956 0.432 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 -6.291 -0.889 -1.476 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 -4.139 0.824 -8.376 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 -0.583 4.122 -1.071 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 5.368 -2.308 3.963 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 6.382 0.399 3.135 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 -16.763 -16.435 4.943 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 -1.158 8.793 -0.009 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 -11.926 12.974 -21.734 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 1.247 -8.533 1.860 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 -2.340 5.030 -1.411 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 3.547 7.916 -6.788 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 -20.281 -13.711 -8.176 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 13.483 -8.191 1.263 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 0.301 -6.399 -0.272 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 -19.751 -13.321 7.449 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 0.474 -3.513 2.652 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 -14.323 -2.724 -4.204 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 2.212 0.821 -6.117 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 2.654 5.257 0.942 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 7.962 14.465 -16.831 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 3.825 19.606 -16.915 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 5.046 4.387 -3.237 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 0.813 -5.123 -8.898 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 7.431 10.884 -1.019 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 -1.824 -1.902 -4.518 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 -4.580 8.264 -19.568 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 -14.677 -3.844 20.453 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 -10.295 -6.028 1.099 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 21.176 -19.617 -14.821 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 -23.617 -22.971 -3.673 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 -0.373 10.069 -6.498 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 -15.304 -18.544 17.759 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 6.882 13.954 1.911 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 -4.681 -1.649 -5.197 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 -2.043 3.611 -9.139 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 -13.760 -5.781 -15.035 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 5.096 4.583 3.577 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 20.523 -7.966 1.825 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 -10.570 -5.794 -3.484 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 3.778 2.995 6.767 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 10.443 -1.111 12.622 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 -2.168 -9.142 16.835 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 -1.830 2.662 -4.469 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 -0.009 -10.771 -24.387 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 -17.682 14.928 -0.208 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 1.058 0.230 -4.386 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 -2.527 -11.698 -12.591 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 -0.633 -0.135 -5.701 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 -0.963 -4.399 -1.436 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 10.425 -3.981 8.581 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 8.899 -1.185 9.013 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 4.285 -7.001 3.015 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 -5.893 19.217 10.256 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 5.356 -2.944 4.827 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 -2.460 -3.000 -4.434 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 16.009 6.473 23.706 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 12.568 -28.122 -19.716 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 -3.227 4.706 -4.674 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 -8.660 -4.759 -3.567 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 1.260 5.778 4.231 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 6.950 4.299 2.365 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 -0.931 32.406 -0.142 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 2.817 39.988 1.039 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 0.014 -0.626 3.458 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 -11.570 8.312 1.345 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 12.147 -19.342 5.723 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 5.803 -6.169 -2.284 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 0.093 -8.246 -13.027 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 1.023 0.643 5.781 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 -9.240 -3.346 5.246 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 -7.288 -5.177 -11.440 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 -26.341 0.438 6.703 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 -3.070 -5.431 -0.288 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 -0.662 11.901 -10.309 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 9.614 -20.485 -6.019 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 -0.654 -8.330 5.604 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 -0.503 -4.376 2.964 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 1.084 -5.331 6.725 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 2.767 -3.758 3.529 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 -10.734 -1.349 8.251 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 -7.522 10.567 13.761 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 -0.564 -1.770 -0.012 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 12.355 2.329 9.495 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 10.168 1.527 -0.095 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 4.337 1.376 0.819 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 2.811 0.971 -5.832 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 2.956 -5.260 -5.964 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 -3.270 6.145 -6.103 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 -9.067 -5.182 -8.187 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 8.903 7.502 -4.281 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 -1.707 -2.906 -1.049 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 9.065 -9.239 -11.320 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 -16.438 1.139 -4.826 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 -0.925 8.884 -4.999 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 13.925 9.302 -14.302 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 -0.811 -9.364 -2.308 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 3.977 -5.346 7.309 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 4.570 -10.995 6.530 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 8.898 -1.090 9.233 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 -5.404 -6.686 0.425 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 18.914 -8.587 4.574 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 15.964 -16.771 -15.984 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 6.324 1.717 2.218 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 -8.778 -7.636 -0.324 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 -0.331 -7.985 -18.396 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 -0.716 -5.134 -0.702 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 13.034 -27.243 19.886 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 2.321 -9.922 -14.869 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 -3.866 1.385 4.822 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 -18.862 5.525 22.904 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 10.604 -6.239 -19.310 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 4.879 4.893 -1.932 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 1.041 6.788 -17.655 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 1.522 2.182 -3.087 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 2.303 -2.872 -0.527 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 2.166 9.220 -14.100 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 15.241 5.570 11.256 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 3.373 0.005 0.513 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 19.950 -4.766 6.600 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 -19.971 11.507 -11.689 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 0.348 0.933 4.075 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 13.943 1.886 3.013 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 -2.960 9.834 18.041 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 -7.993 4.084 -1.144 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 -11.221 27.793 -5.993 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 -9.874 13.651 -0.758 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 3.753 -0.098 3.917 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 12.880 10.649 2.865 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 -3.913 -11.326 4.914 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 2.575 -1.218 6.597 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 -4.019 1.536 -6.852 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 -9.249 8.714 -2.918 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 -2.299 1.804 -0.198 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 17.302 -9.135 -1.096 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 5.193 8.026 -7.109 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 -0.309 1.738 -0.407 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 -4.286 10.398 9.174 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 -7.787 4.918 1.320 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 6.861 -6.757 7.341 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 21.039 11.409 -5.113 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 -7.951 -6.267 18.130 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 3.478 2.470 5.866 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 23.323 12.124 -5.382 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 8.384 12.612 14.218 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 -2.175 -12.200 -4.451 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 4.192 -8.516 27.379 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 1.974 -22.201 15.936 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 -0.477 8.099 -1.993 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 -34.647 -5.875 -25.187 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 -5.100 9.251 5.608 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 0.244 -4.022 -4.736 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 -5.717 -16.172 7.743 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 -0.493 8.365 -8.584 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 3.258 -4.704 -1.072 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 2.304 -3.038 -9.975 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 -13.082 2.435 8.891 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 2.397 1.133 4.452 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 1.074 9.212 9.002 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 6.934 -6.173 13.864 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 -2.269 7.836 -8.558 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 8.217 32.696 -22.378 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 3.913 -10.533 -7.750 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 -0.506 -5.584 -1.330 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 1.755 -16.341 -3.899 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 -2.879 0.604 11.656 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 7.012 -2.314 1.687 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 10.098 -7.994 2.180 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 7.196 0.991 2.596 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 5.990 -6.063 7.809 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 -2.986 10.410 -2.901 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 10.744 -7.320 6.258 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 0.623 -5.096 2.620 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 -7.936 9.676 43.280 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 29.258 23.954 -14.748 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 3.612 4.331 -3.637 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 24.490 -22.613 -5.004 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 31.381 -7.332 -27.734 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 4.672 -6.352 -3.581 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 5.168 -2.526 -6.431 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 0.278 -4.477 -3.614 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 2.767 0.423 5.973 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 -16.298 3.610 -7.272 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 23.662 -8.136 -11.975 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 1.000 2.676 4.513 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 -1.948 3.493 3.095 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 14.268 21.626 2.017 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 1.448 -0.750 -5.013 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 -3.604 -6.486 1.882 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 -14.088 -10.216 14.501 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 1.651 6.866 -0.105 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 7.331 7.881 15.445 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 1.367 3.834 5.223 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 -1.239 6.608 -0.744 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 4.255 -11.511 -28.782 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 -13.404 -3.646 -15.516 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 6.419 -0.829 -0.269 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 -1.487 -5.176 10.100 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 -0.840 -5.930 9.113 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 5.210 2.020 -4.998 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 0.363 -2.705 -1.337 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 2.796 1.656 -5.539 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 0.847 0.730 -5.709 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 20.484 -8.172 0.257 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 -21.865 -5.244 -1.337 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 -1.251 8.457 3.010 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 -20.456 -7.161 -16.286 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 3.432 39.551 -10.714 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 -2.039 0.814 2.308 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 2.990 1.482 3.594 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 17.292 1.868 12.769 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 3.297 4.825 -2.191 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 -7.294 6.017 -7.292 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 13.944 8.801 -8.452 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 0.679 2.023 2.422 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 -21.118 3.026 -0.776 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 -24.698 14.963 4.154 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 -1.471 2.951 -1.369 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 -26.538 -22.117 3.598 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 -24.228 -0.146 4.296 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 2.282 5.530 0.075 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 -13.371 21.952 18.887 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 -25.525 14.516 -0.273 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 -1.752 -3.875 4.022 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 2.151 2.746 -3.001 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 -0.965 8.739 20.243 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 -4.960 -2.552 2.042 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 4.152 -3.290 -5.632 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 -0.920 12.973 10.632 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 -1.907 -1.351 -6.021 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 -22.771 -2.191 8.212 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 -8.953 1.126 -6.697 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 -2.901 -6.643 -2.727 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 7.629 13.274 -6.235 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 24.218 -30.242 8.097 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 0.141 2.832 -1.373 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 -4.299 -13.585 13.049 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 1.357 10.096 -3.496 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 -0.767 1.401 3.712 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 22.120 -8.513 1.227 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 -2.848 -17.635 17.111 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 -4.798 -7.724 -5.179 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 -25.452 -2.986 20.564 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 4.405 -1.065 -10.795 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 1.983 -0.559 -0.232 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 9.448 16.163 22.420 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 6.021 1.826 6.473 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 1.150 5.498 -3.539 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 6.347 -7.238 9.356 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 -17.411 0.922 16.927 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 6.379 -8.250 6.696 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 6.627 -4.146 1.674 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 -5.019 11.045 -4.705 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 -2.739 5.283 -0.172 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 -9.963 12.361 -4.335 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 18.390 -5.808 8.932 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 -1.018 -3.658 -1.938 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 20.547 -33.091 -32.948 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 -7.646 25.844 18.772 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 1.850 9.664 6.432 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 -17.861 18.066 -2.931 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 8.086 3.180 21.991 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 -2.037 -1.334 -3.737 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 -1.205 -4.854 -4.997 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 -0.075 11.954 -15.828 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 0.380 -0.945 2.295 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 -13.906 -4.377 21.150 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 29.601 -3.600 6.730 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 3.675 7.537 1.524 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 8.719 -9.019 13.979 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 25.069 10.243 -5.517 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 0.682 1.341 -5.776 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 -0.675 15.343 33.668 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 2.139 3.569 -13.765 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 4.367 -1.137 -5.826 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 5.520 16.158 -11.720 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 40.081 19.533 6.378 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 2.695 1.625 7.310 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 -3.080 4.187 3.175 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 6.606 0.547 10.087 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 -6.348 -1.115 -3.406 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 -5.270 0.568 -3.165 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 -8.762 -3.980 -3.835 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 -1.046 -2.287 -3.507 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 -1.220 -21.904 -5.543 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 5.547 -3.819 -11.571 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 -3.145 -0.064 -2.605 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 -0.230 -1.184 -3.666 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 -1.593 -1.332 0.490 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 2.639 -3.269 0.067 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 -1.875 -4.649 1.987 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 4.169 -2.309 -0.190 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 -2.733 5.424 -3.889 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 -16.756 -4.082 23.580 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 9.055 -24.340 -15.102 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 -4.126 0.091 -2.424 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 -7.722 -0.432 -7.364 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 -6.219 -1.382 4.811 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 1.263 3.998 4.591 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 1.526 2.670 -2.315 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 6.037 8.088 8.305 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 -4.004 0.216 0.258 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 -12.301 -8.465 -3.171 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 3.425 -7.225 -2.565 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 -5.763 -0.677 -0.728 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 -5.512 -0.669 -1.251 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 -1.885 -0.320 -1.313 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 3.977 0.260 1.872 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 -0.196 4.360 -4.770 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 -1.991 7.293 -8.296 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 0.388 -0.676 -0.556 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 6.179 -1.403 -15.968 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 -1.374 -7.381 -0.343 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 7.725 0.618 -0.766 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 -6.785 -8.640 1.841 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 -7.298 -2.434 -27.647 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 3.954 -4.899 0.105 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 -14.577 3.369 33.840 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 3.718 -11.402 -5.180 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 2.040 -2.192 -0.035 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 -10.371 4.206 -2.414 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 -18.443 -5.609 -1.683 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 -3.317 0.309 -1.738 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 4.122 8.046 -0.301 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 0.237 28.555 -21.432 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 3.013 -7.314 4.863 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 -3.895 -8.149 0.932 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 -5.871 14.625 2.303 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 -1.342 -1.084 -1.186 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 -8.634 6.463 1.162 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 -5.870 0.903 -2.174 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 -2.712 -4.600 -0.478 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 -10.166 20.967 4.792 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 6.999 -12.753 -15.001 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 -10.191 3.215 -2.974 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 -0.320 7.917 -0.141 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 -14.831 9.236 -12.608 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 -3.290 0.965 7.652 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 -6.121 0.794 0.007 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 -15.074 -8.140 1.330 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 -2.545 -2.199 -2.597 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 -12.868 -9.248 -2.505 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 -12.885 5.253 -7.532 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 -4.795 0.512 -5.648 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 8.001 -9.630 -18.687 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 5.069 -31.242 -7.066 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 -3.097 0.506 0.914 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 14.867 12.305 -18.083 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 -11.656 -0.583 10.850 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 -9.080 -2.829 -0.897 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 0.132 2.018 -18.043 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 -3.961 23.067 -20.411 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 10.037 -6.518 0.345 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 2.678 1.032 -5.483 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 4.895 -12.408 -3.841 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 -1.219 -0.272 -4.766 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 -2.189 2.221 -7.776 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 13.641 -15.449 -1.241 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 2.012 -8.500 0.121 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 11.635 -4.612 1.105 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 -9.503 -9.924 0.681 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 -1.235 -1.451 -0.847 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 -21.064 -26.248 -11.254 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 9.521 2.815 -8.170 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 -9.925 6.583 1.382 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 -9.960 9.372 2.002 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 1.002 -14.014 6.941 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 -2.833 -3.900 0.952 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 -6.604 -0.175 -4.929 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 -1.419 -9.158 1.291 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 5.240 -6.668 1.761 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 -0.103 -3.880 5.648 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 3.308 2.414 9.574 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 0.298 2.477 2.763 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 -4.753 -2.026 17.673 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 15.637 1.981 3.029 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 -3.206 -1.955 -5.708 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 -24.922 4.016 -0.368 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 13.908 26.888 -21.997 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 -0.718 -5.764 3.294 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 -11.821 -20.647 19.403 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 5.933 17.785 -8.600 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 -3.303 2.401 -0.474 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 -20.507 14.751 -6.668 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 -9.228 15.963 -2.758 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 7.575 -4.492 1.491 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 1.557 -13.807 0.612 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 9.879 -4.891 1.467 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 2.855 2.601 -5.457 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 5.243 -7.660 2.825 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 -7.693 2.146 3.527 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 1.697 1.582 -6.115 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 0.209 -8.258 -21.738 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 9.122 0.497 -18.893 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 5.118 -4.420 -3.120 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 10.782 12.630 -10.412 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 -4.136 0.985 2.365 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 -1.255 2.452 -8.312 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 -10.111 -10.782 -5.698 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 20.297 34.267 -8.360 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 6.900 5.160 -1.173 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 -4.217 9.708 -4.056 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 5.372 -0.811 -10.691 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 -0.425 3.567 9.941 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 6.034 -10.583 -10.231 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 -26.277 -3.728 -17.009 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 0.745 3.991 0.986 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 0.928 -9.624 0.826 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 11.487 6.484 14.055 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 -0.689 -1.756 2.655 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 -8.003 -13.179 -19.904 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 23.617 -0.633 -11.811 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 2.722 -0.509 2.704 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 18.066 -5.615 11.767 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 -14.895 2.010 10.472 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 -1.092 2.434 -1.285 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 -2.658 7.227 1.077 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 -9.514 27.677 11.555 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 2.039 -6.809 1.169 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 4.084 1.269 -0.359 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 10.127 -8.603 -11.287 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 0.902 3.629 -2.432 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 13.020 -10.573 -5.213 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 11.373 -19.164 -13.374 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 1.478 2.102 2.740 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 -7.673 4.848 3.563 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 4.518 34.490 -2.014 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 -0.892 -1.875 -8.144 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 17.603 26.240 -12.969 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 3.506 -1.533 10.031 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 -0.928 2.081 5.473 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 5.693 19.300 4.918 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 -3.222 0.399 -12.230 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 -2.152 -0.240 -7.878 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 1.845 1.948 1.607 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 2.498 -3.338 -6.389 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 4.648 4.890 -8.533 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 2.700 -8.205 -11.076 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 -5.424 9.580 -0.576 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 -5.101 6.772 2.310 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 9.124 4.647 11.563 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 -12.012 -40.598 8.446 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 3.665 3.222 6.817 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 -5.981 15.154 13.425 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 4.358 -4.826 5.769 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 2.419 3.209 0.812 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 -3.441 2.424 -6.516 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 23.530 -0.994 -21.373 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 2.709 1.323 -3.908 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 14.540 0.151 -9.926 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 -28.999 -6.373 35.072 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 -0.228 1.453 2.167 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 4.948 3.640 -11.487 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 -9.736 1.142 -6.383 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 0.816 -2.259 -0.862 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 17.537 -1.771 29.195 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 -3.103 -15.229 -12.120 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 -3.497 7.496 -3.883 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 2.259 -9.446 -5.095 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 -0.011 -17.238 -10.613 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 -9.153 -0.734 0.406 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 6.387 6.899 -6.699 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 -10.087 17.599 12.355 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 1.949 -2.563 4.559 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 9.867 3.771 18.478 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 3.232 -1.455 7.551 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 -6.452 -7.103 -5.616 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 -5.605 0.006 -9.227 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 0.813 -13.422 -5.189 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 -5.251 -2.838 -5.013 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 -11.758 -1.794 -10.508 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 -12.767 2.015 -4.575 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 -3.202 7.450 -2.298 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 10.545 -12.333 13.251 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 -6.189 12.262 0.838 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 -3.731 5.901 -0.718 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 0.203 -0.012 -4.927 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 -6.276 5.235 -0.335 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 -7.365 -5.101 -0.313 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 -5.296 8.992 16.541 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 -3.403 12.338 -17.144 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 -3.717 -1.721 -6.238 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 4.138 -4.984 5.740 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 2.812 -2.934 2.566 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 -3.197 -1.352 -0.698 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 -18.150 -18.036 -11.310 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 -2.346 -7.865 -8.069 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 0.927 4.104 -3.134 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 -26.826 5.573 -15.701 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 -0.482 2.486 1.982 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 -4.506 -0.715 -2.690 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 25.575 -26.381 -18.558 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 -10.474 9.993 -5.275 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 -3.561 3.240 2.871 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 -5.294 -4.010 34.150 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 11.094 10.795 8.725 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 -2.142 3.790 -1.736 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 -0.753 6.494 -3.734 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 5.758 -5.349 -13.093 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 -0.946 -3.121 -1.819 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 -1.532 -2.349 -4.785 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 2.545 2.185 11.013 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 4.123 3.494 0.532 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 -0.463 19.621 30.500 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 -11.235 -16.214 -15.872 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 -2.996 -2.593 -3.251 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 -21.941 -7.458 -1.031 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 11.543 9.622 9.232 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 0.698 -10.629 -3.513 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 -10.461 5.245 8.702 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 -9.683 -0.955 3.921 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 -3.294 1.912 -0.034 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 -24.205 13.277 1.892 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 5.895 4.360 2.856 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 0.021 -3.329 2.702 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 5.326 21.173 -6.213 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 -7.344 15.579 -2.014 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 -3.526 -3.681 -6.004 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 2.501 -18.440 -20.119 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 -29.604 14.063 7.872 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 1.464 -1.073 -6.204 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 -8.741 23.834 35.490 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 0.151 6.898 14.189 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 4.608 -1.421 -5.473 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 2.886 0.659 -4.176 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 0.086 -4.100 11.068 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 -1.438 -2.249 3.165 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 -13.811 -17.717 4.078 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 -16.689 -5.228 -0.111 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 6.470 -3.931 -2.415 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 -12.779 -5.122 -7.685 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 25.457 2.914 3.030 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 3.075 0.636 -2.648 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 -13.070 -14.711 8.661 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 -10.270 -13.483 5.642 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 -4.637 1.814 -0.692 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 -16.213 -9.561 -21.576 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 -6.440 21.873 -0.887 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 2.207 5.174 2.317 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 13.724 7.200 -3.278 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 -2.495 4.270 5.090 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 -0.643 1.206 3.595 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 0.474 4.231 17.033 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 9.957 14.349 -6.671 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 -12.375 1.793 1.019 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 -8.826 -6.669 -13.163 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 32.337 7.063 6.600 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 -1.678 -0.351 -6.427 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 -4.644 17.443 1.575 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 12.914 4.868 22.734 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 1.681 -5.546 -6.219 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 1.566 12.288 -17.531 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 -7.147 -0.208 8.120 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 -4.171 -0.049 -5.758 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 15.365 -8.693 -17.163 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 1.511 -6.906 26.094 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 -0.788 -2.368 -4.393 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 3.356 -20.851 6.237 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 7.441 -12.609 2.721 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 2.072 0.468 6.253 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 10.750 -3.486 -19.814 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 9.336 4.249 18.448 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 -1.862 1.012 -0.573 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 3.902 10.680 -1.816 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 -3.203 -0.767 10.204 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 0.443 2.047 2.049 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 8.850 -12.299 -9.415 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 -19.154 1.719 -2.584 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 -0.552 -3.915 1.820 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 7.261 5.972 0.154 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 17.763 -28.701 -17.238 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 1.378 7.605 -0.841 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 5.480 3.632 3.042 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 -15.748 -18.575 -4.148 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 -2.105 -1.002 8.585 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 22.905 9.182 0.882 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 -23.353 -10.766 15.784 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 -1.855 3.650 -1.475 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 -3.825 11.313 3.867 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 0.913 5.763 10.190 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 -0.622 -2.808 -3.087 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 4.030 -10.908 -12.872 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 -14.728 0.722 -6.034 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 3.346 0.462 2.503 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 17.414 0.715 16.909 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 3.202 12.928 -12.832 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 -2.648 -0.299 1.406 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 -16.680 15.811 -5.446 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 3.459 0.040 2.538 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 2.803 -3.091 1.963 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 5.381 1.400 -0.697 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 -2.441 -0.593 3.489 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 -1.139 -0.433 2.292 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 1.175 -2.387 9.699 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 -4.781 -3.305 -0.384 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 9.145 0.051 0.586 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 14.128 9.600 -15.602 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 6.347 -4.420 13.848 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 -4.059 2.385 3.299 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 13.724 8.602 -28.845 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 -3.588 -7.253 -4.183 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 -0.914 -1.792 1.752 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 11.045 2.495 14.276 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 13.249 -4.356 8.018 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 2.938 -8.893 -2.761 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 -3.932 7.264 -4.528 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 -8.096 -18.978 2.469 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 3.395 -2.304 -1.452 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 -22.252 -12.413 32.416 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 12.012 -14.818 2.948 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 -4.389 3.368 -1.659 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 5.470 -7.556 5.519 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 -2.075 -6.485 -0.284 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 1.357 1.471 6.171 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 6.596 -11.063 11.925 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 3.706 4.307 -6.541 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 3.944 4.735 3.464 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 6.955 21.472 19.455 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 0.886 13.538 11.068 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 2.223 2.902 -5.469 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 -1.367 9.872 -7.070 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 -9.776 2.096 -3.230 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 -7.809 2.006 -1.671 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 -12.302 -1.803 -2.301 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 -13.110 -7.768 -0.246 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 2.327 3.996 -1.727 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 29.444 11.705 8.801 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 4.897 11.055 3.315 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 7.476 0.261 -5.611 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 12.327 -15.183 -3.224 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 4.514 -1.134 -2.916 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 -2.753 -3.322 -0.731 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 -2.568 -9.816 -9.153 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 -12.432 6.415 15.355 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 4.004 3.481 5.354 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 10.984 0.272 3.170 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 -2.553 5.087 -3.073 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 3.480 1.861 -1.531 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 5.026 7.160 -1.723 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 1.138 6.495 -8.336 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 -3.425 3.567 8.130 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 -1.061 6.057 11.587 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 8.925 10.799 21.539 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 -1.956 -1.396 0.917 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 -2.009 -2.557 13.497 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 -1.895 1.442 -17.705 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 4.508 2.087 -6.953 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 -5.408 -9.482 13.703 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 -21.146 32.416 -19.233 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 0.267 3.746 0.253 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 -3.912 6.046 8.198 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 3.764 2.270 6.279 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 0.561 2.048 2.662 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 -15.677 20.510 19.127 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 5.502 0.566 9.096 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 1.523 6.496 -4.446 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 -0.227 7.707 15.413 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 7.949 2.924 13.897 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 -0.486 3.977 -2.642 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 3.212 5.474 -0.772 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 -32.118 -8.658 -13.266 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 0.571 -0.934 3.420 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 7.687 -6.017 5.190 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 3.323 4.004 -3.402 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 -1.789 6.069 -3.722 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 -4.968 0.213 -6.925 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 0.668 3.457 1.474 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 -7.529 5.084 3.421 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 -10.888 -4.007 -0.490 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 -14.844 -5.951 -4.644 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 -0.857 0.579 -8.855 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 -10.491 -7.668 29.735 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 9.632 0.375 -14.130 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 -4.839 2.631 -1.573 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 -4.752 1.621 3.738 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 -7.734 6.047 -28.488 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 -0.387 -2.695 5.311 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 14.151 -8.935 4.854 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 -14.208 -16.504 -4.700 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 3.817 -3.367 -10.628 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 6.409 3.639 -1.369 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 0.036 -0.680 0.229 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 -4.318 0.928 -2.726 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 -2.245 -12.950 -5.488 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 4.316 3.025 8.766 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 1.553 -2.087 1.043 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 -11.299 -1.094 1.785 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 6.381 4.669 -5.582 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 -4.419 5.818 -3.250 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 2.277 8.604 10.067 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 15.608 -1.318 -11.004 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 1.249 -2.207 -4.238 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 -2.799 -3.100 -8.018 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 8.097 -12.567 25.991 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 -3.337 1.492 3.627 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 -30.982 12.784 -7.758 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 26.577 -11.418 1.904 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 0.669 1.038 6.865 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 4.845 -2.238 1.207 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 10.511 -7.546 -5.175 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 0.633 -1.033 -2.598 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 -10.742 27.512 -3.673 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 3.217 -18.744 13.524 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 0.234 -0.941 -0.551 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 4.787 6.605 -5.515 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 3.079 -0.853 -8.976 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 0.481 -6.907 3.759 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 -18.050 4.935 -9.511 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 8.915 -0.229 17.084 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 2.216 -0.538 3.059 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 2.272 -16.999 -12.044 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 30.261 -15.521 2.868 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 -4.390 -2.085 1.413 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 1.837 -8.719 -9.329 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 -8.543 -4.770 5.745 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 -2.591 4.193 -3.937 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 -2.606 -12.287 24.528 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 -0.256 4.741 -12.768 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 6.991 0.096 5.279 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 -11.552 -2.471 -14.265 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 -13.659 0.035 11.919 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 -5.137 -2.639 0.835 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 -0.214 0.721 12.124 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 -8.542 -31.420 -32.868 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 -6.330 0.135 5.437 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 -31.945 2.782 -5.825 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 -3.790 -8.448 -2.990 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 -5.211 -1.786 -0.238 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 -3.061 -2.987 -8.249 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 5.575 -11.013 3.157 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 1.205 -2.347 -1.012 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 17.388 15.172 -7.695 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 -17.690 2.544 -14.216 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 1.072 0.997 2.448 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 12.318 -12.030 -8.774 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 -1.461 -6.597 9.616 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 0.270 0.196 -4.074 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 12.676 0.787 -6.257 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 7.720 7.011 -13.766 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 -3.427 0.800 -2.589 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 -6.413 -6.817 -4.730 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 -4.284 2.856 1.183 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 6.528 -2.722 6.077 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 2.386 -4.447 10.515 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 9.318 -10.247 2.719 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 4.618 -3.630 2.627 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 4.234 -3.775 17.418 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 4.542 6.851 1.575 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 4.275 0.568 -4.797 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 -29.289 12.302 -15.523 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 12.865 -9.021 -29.646 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 1.197 0.639 0.579 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 3.526 4.635 8.193 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 2.293 -4.928 2.376 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 -1.300 -3.678 -2.619 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 8.932 -5.265 -2.870 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 -5.321 -12.086 0.919 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 3.541 0.785 -0.901 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 1.826 5.500 -6.649 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 5.836 -4.813 5.166 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 3.837 -0.133 -3.692 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 2.104 11.963 5.523 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 -1.621 -7.093 -26.410 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 7.149 -0.039 -0.655 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 20.331 -17.409 -0.684 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 19.689 8.968 31.009 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 -12.947 2.565 -1.927 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 28.519 15.893 -11.834 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 -2.165 15.565 4.430 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 4.767 5.980 -5.311 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 12.603 16.516 9.383 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 -15.528 10.370 -0.348 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 4.467 2.403 5.032 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 7.661 8.647 11.193 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 -15.217 -3.044 9.359 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 -1.151 -2.386 3.568 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 -7.289 0.166 0.855 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 5.810 12.703 -18.861 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 -2.944 -3.634 5.655 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 -1.065 0.595 -1.151 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 -3.996 -4.630 9.354 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 -1.485 -10.008 0.695 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 12.366 -15.404 -0.148 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 22.877 5.484 -7.321 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 -0.340 -2.002 1.075 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 -10.074 9.718 -12.214 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 0.283 -4.346 -1.613 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 -4.636 0.555 -3.546 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 4.231 5.022 10.255 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 2.420 -9.971 -17.335 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 4.401 -1.029 2.034 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 5.844 1.148 1.278 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 5.246 6.716 -0.352 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 4.724 -4.936 5.406 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 -12.191 -8.877 4.536 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 4.705 -3.521 2.499 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 -2.979 -0.871 0.324 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 -10.216 2.113 -27.811 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 -4.626 8.081 11.601 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 5.152 4.089 7.763 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 5.482 5.094 7.010 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 4.297 5.297 11.019 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 4.776 5.242 -1.964 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 0.396 27.429 5.442 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 -14.884 19.362 5.321 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 2.073 3.105 0.763 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 -3.607 -5.356 -9.311 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 12.139 -6.137 5.289 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 7.618 -4.020 3.344 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 -13.022 16.996 5.874 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 -4.863 -31.841 -7.851 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 6.829 -0.176 2.313 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 2.594 -1.448 3.785 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 8.529 6.891 15.930 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 -1.561 2.986 2.576 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 -3.008 -6.183 -15.536 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 -3.180 -13.307 6.294 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 -2.587 2.295 4.568 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 -20.525 6.246 8.667 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 3.553 -6.395 3.819 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 9.291 3.633 -5.076 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 7.953 12.645 14.755 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 -1.413 13.124 4.701 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 4.377 -4.123 2.438 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 0.314 -26.604 31.164 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 8.208 -19.233 -10.736 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 1.008 -2.645 -3.186 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 -7.144 1.384 20.618 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 20.166 -12.516 -7.704 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 -1.435 -0.767 -0.813 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 -10.711 7.631 -9.899 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 7.369 -10.603 5.139 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 -6.637 8.385 5.512 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 1.712 -12.420 -17.575 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 -5.746 17.743 15.389 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 -6.031 1.816 -0.830 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 -14.839 11.176 -17.324 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 -18.628 -0.971 16.696 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 1.527 1.085 0.146 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 -5.466 -6.965 -4.656 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 -17.444 3.150 7.041 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 -3.020 -0.256 2.177 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 -1.632 -2.909 2.943 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 1.370 -7.968 4.793 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 -3.124 -0.640 -7.016 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 -8.882 5.881 -59.202 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 7.737 13.712 -27.257 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 0.370 5.749 -0.055 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 -3.035 -3.023 0.315 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 -3.172 0.660 -1.488 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 -0.582 2.439 2.056 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 0.746 -11.573 26.340 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 -22.747 7.368 1.282 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 -0.494 3.066 0.486 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 -44.087 -3.138 12.913 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 -1.045 -7.441 17.830 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 2.963 -3.005 -0.468 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 18.210 -0.780 -7.416 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 -10.235 4.407 8.114 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 1.088 -1.780 3.908 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 -12.414 -22.096 14.915 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 12.733 12.114 -12.523 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 -1.605 6.420 1.908 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 10.383 25.793 -8.188 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 21.894 19.889 -0.619 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 0.579 0.051 5.391 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 3.643 -4.307 10.586 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 -2.705 -4.908 2.576 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 -4.389 0.128 -3.063 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 -18.174 27.119 -5.889 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 0.448 -1.167 27.461 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 4.775 1.367 -2.043 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 -3.953 0.819 10.502 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 9.838 -0.599 8.168 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 1.943 -4.382 2.990 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 -5.317 -6.695 -22.963 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 1.182 -11.949 8.270 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 7.666 3.173 -5.311 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 -18.840 -5.478 -6.239 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 11.436 2.642 -5.163 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 -1.112 0.085 0.387 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 -16.468 -3.029 -6.039 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 0.560 -4.183 20.340 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 2.163 -0.647 -0.726 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 2.313 -3.569 -0.038 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 3.503 -7.457 2.252 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 0.236 -1.798 0.678 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 -14.699 7.598 -2.400 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 1.415 1.293 -5.905 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 3.157 8.514 1.937 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 3.956 1.617 2.790 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 21.335 -6.363 5.525 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 1.341 -4.066 -3.529 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 -19.497 -8.286 -3.653 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 11.853 8.763 -2.898 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 1.363 0.528 -1.158 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 -2.497 4.190 -7.856 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 -9.748 6.252 -19.098 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 -1.657 1.889 -2.850 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 8.939 10.473 4.767 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 -22.236 -3.975 23.380 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 3.512 -2.438 -1.001 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 -6.282 -0.967 15.314 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 7.205 15.225 -4.372 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 4.146 -1.287 -0.367 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 9.265 -0.495 5.450 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 -3.779 -14.204 -2.226 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 4.509 5.140 4.200 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 -5.926 -3.280 -17.457 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 4.463 -8.290 -5.745 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 1.351 0.511 0.781 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 -4.967 -0.940 7.683 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 11.882 2.587 3.141 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 -1.066 1.983 -2.848 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 -0.987 5.044 -2.558 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 -3.644 15.742 -0.064 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 -1.929 2.447 -2.231 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 -27.604 5.916 -13.423 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 22.817 -2.824 12.618 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 -2.411 4.438 5.847 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 -19.774 4.087 -4.087 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 1.202 10.221 -11.332 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 -0.075 -1.631 0.436 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 -1.546 -0.791 0.301 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 7.377 -0.646 8.200 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 2.503 2.789 3.864 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 -2.900 2.323 -0.583 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 12.739 13.519 -10.768 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 4.048 7.974 3.034 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 24.917 -6.192 10.449 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 8.284 4.958 4.318 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 -0.671 -1.506 -4.121 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 10.571 6.512 4.368 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 8.432 10.683 0.825 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 2.965 4.508 -1.782 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 -2.189 18.627 4.247 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 -17.003 -9.195 -12.677 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 -0.279 7.321 -6.087 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 1.545 -2.217 -12.738 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 8.688 -1.568 -25.578 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 0.066 3.918 0.881 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 -0.331 5.898 10.070 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 11.577 8.364 -3.675 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 -1.092 -0.100 -4.033 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 -3.958 6.807 -12.532 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 -5.199 6.114 -11.579 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 0.145 -1.322 -6.079 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 20.747 3.744 -11.322 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 -18.303 13.161 -12.137 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 -4.540 2.021 6.441 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 -6.809 2.477 5.521 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 -16.347 3.905 -21.169 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 1.803 -3.957 -2.675 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 -0.155 -14.471 9.105 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 -7.885 8.643 -0.420 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 -1.174 -7.157 -5.613 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 2.987 -13.275 -1.730 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 -17.703 14.752 -21.602 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 0.222 10.049 -2.463 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 6.304 -14.506 -11.318 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 -6.671 7.997 7.629 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 -0.454 -5.545 -0.617 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 25.795 2.880 -37.127 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 1.866 25.751 1.368 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 -3.601 -1.313 -6.272 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 -15.902 1.529 4.302 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 -5.028 3.790 -0.059 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 1.814 9.130 4.788 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 -3.236 18.021 8.006 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 1.445 2.317 11.889 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 -4.708 -0.694 -3.740 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 -7.138 -18.074 16.467 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 22.532 -31.127 -3.558 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 -3.637 -0.802 3.272 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 -0.221 0.302 -16.780 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 -10.497 2.822 7.839 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 6.198 4.282 3.987 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 -7.295 23.954 1.863 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 0.858 0.954 4.286 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 5.892 -2.361 8.503 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 3.674 2.347 12.181 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 12.595 2.330 -4.820 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 -3.371 5.053 4.542 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 0.863 -13.598 7.790 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 11.362 8.765 -1.438 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 -7.925 0.120 1.954 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 -10.129 8.521 8.890 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 1.703 -15.209 15.849 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 -0.366 -3.369 6.332 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 0.268 -4.403 -7.544 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 1.405 -4.315 -1.077 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 1.938 0.266 0.002 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 -4.763 -3.994 -17.839 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 10.805 6.934 9.058 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 -6.359 4.030 3.210 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 -6.922 14.512 -21.992 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 7.487 -11.161 -5.661 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 -2.156 4.041 2.713 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 -12.205 -2.615 -12.030 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 -2.887 3.637 0.279 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 -0.394 1.170 1.825 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 2.650 -0.072 15.472 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 0.731 18.905 -16.477 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 -0.565 -2.677 -7.236 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 5.594 21.204 -23.280 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 6.040 -1.887 22.474 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 -2.104 -1.028 -1.886 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 15.646 5.302 10.065 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 -11.640 -2.155 -1.567 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 -3.342 0.957 -1.509 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 -6.084 -1.879 -18.643 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 -0.369 3.362 14.629 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 3.644 -3.181 -0.747 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 8.491 -3.305 4.884 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 -3.124 2.365 2.478 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 -3.456 2.671 5.571 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 -13.879 7.180 16.585 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 31.281 17.823 23.309 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 -0.092 5.257 -0.065 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 -10.288 31.712 -7.689 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 0.528 5.809 0.515 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 -1.448 -4.254 -2.243 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 -9.996 -3.570 5.905 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 9.064 -16.334 18.258 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 0.557 1.921 4.191 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 -22.651 -19.514 -3.436 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 -2.792 -0.807 3.995 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 -5.227 0.869 1.166 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 -6.340 7.283 4.724 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 -11.392 0.256 -2.167 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 3.379 3.589 1.810 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 -11.615 -5.468 -15.382 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 -7.639 -2.272 8.838 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 -4.135 0.549 3.480 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 -26.315 3.583 11.900 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 -10.243 1.095 -22.932 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 2.409 -1.601 -2.155 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 -11.894 9.734 -3.679 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 -8.798 -1.870 -9.228 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 4.332 1.830 -2.230 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 -0.655 18.960 3.887 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 9.665 6.245 -4.175 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 7.066 -8.261 0.200 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 6.341 -25.365 3.037 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 -7.587 -3.398 9.871 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 -4.463 1.377 0.486 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 -14.173 -22.721 -10.778 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 17.469 7.567 8.995 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 -0.234 -2.055 0.558 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 -8.604 -30.627 -1.193 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 15.638 13.811 9.218 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 0.188 -2.049 -0.820 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 -12.106 7.505 29.167 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 5.494 2.033 -10.962 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 -0.562 -2.079 3.928 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 -1.665 -2.206 -7.709 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 -1.810 -2.618 -8.625 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 -0.919 -2.715 7.018 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 8.918 7.434 -5.952 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 0.176 -42.960 24.024 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 0.888 -7.172 1.925 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 13.414 -12.546 4.485 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 -2.951 -8.228 5.344 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 -0.026 -6.801 4.052 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 -15.337 -13.474 0.022 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 13.884 -0.121 6.496 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 -1.962 1.828 0.184 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 -0.011 -0.062 4.705 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 -4.772 -1.203 -1.716 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 -0.741 -2.253 -6.227 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 1.133 23.986 5.946 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 8.238 9.126 -0.460 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 -5.040 -0.504 1.952 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 -11.965 -4.148 7.178 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 -14.083 7.270 -15.035 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 1.630 -5.528 0.874 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 16.737 -27.338 -4.280 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 4.455 -16.644 0.825 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 0.844 3.057 -4.185 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 14.715 -10.625 -12.349 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 -12.396 7.347 -11.496 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 -3.200 -7.416 -2.991 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 -5.119 -19.940 11.655 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 0.762 -5.696 -5.832 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 -5.142 1.550 -3.779 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 9.968 25.022 11.080 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 -32.992 -7.914 -4.020 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 -6.557 2.352 -10.165 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 -5.611 16.041 10.299 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 -26.718 4.391 -21.161 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 -1.294 1.202 -6.634 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 -7.442 20.445 -14.004 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 -16.693 -3.094 3.232 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 -4.227 2.152 8.619 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 -8.267 -3.297 22.852 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 -1.078 -7.224 -5.124 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 -5.079 2.058 -0.662 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 3.023 0.104 8.564 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 -13.667 -9.353 -10.549 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 1.532 -1.553 2.887 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 -6.338 -2.033 -16.813 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 -4.611 -2.415 -9.435 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 -0.210 -3.748 0.555 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 12.276 -9.323 19.290 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 1.032 21.169 -16.717 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 -2.529 -0.655 -4.531 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 -3.715 -11.623 14.764 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 -30.901 4.332 5.183 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 2.479 2.038 4.758 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 31.865 17.904 -4.649 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 -0.280 -19.981 -11.558 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 3.956 -1.831 -3.115 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 7.827 3.934 -9.640 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 -9.809 -1.454 -5.987 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 -3.278 1.415 6.874 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 -4.031 -1.846 8.559 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 -1.374 8.065 0.608 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 -4.475 -1.141 -5.923 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 1.454 -12.977 -2.833 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 8.845 7.237 -15.257 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 -2.710 7.065 -2.333 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 -4.040 25.799 -1.976 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 -7.319 -6.036 14.901 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 -2.120 -3.719 -0.453 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 6.091 -1.851 -0.909 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 -4.205 -11.191 -6.787 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 -1.559 -9.840 0.765 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 5.446 -12.096 -7.638 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 -5.787 -7.315 4.532 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 1.283 0.812 -0.403 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 21.798 -10.926 1.140 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 -28.955 0.746 1.182 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 -5.075 1.965 -2.485 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 5.160 1.972 1.448 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 30.716 4.255 -2.246 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 1.223 1.185 2.540 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 0.996 9.395 -6.372 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 22.285 -8.208 -3.578 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 -4.301 2.060 -2.273 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 27.958 -13.055 4.421 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 -2.311 9.713 -4.607 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 -3.417 6.664 -4.925 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 5.445 -9.625 -4.661 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 -5.155 7.073 -1.201 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 -6.643 0.336 -3.982 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 3.771 -3.002 9.115 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 -3.359 -15.162 2.567 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 6.005 -0.619 -4.204 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 -0.058 5.933 0.330 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 0.944 12.332 -13.128 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 -2.629 -1.466 4.627 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 7.833 -4.429 -4.708 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 24.227 21.754 23.311 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 7.493 1.725 -1.014 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 -2.128 14.351 -1.665 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 -1.075 6.322 2.523 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 3.626 -1.145 -0.067 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 -12.215 -8.372 16.164 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 -6.205 2.027 3.415 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 0.382 4.045 -0.155 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 -3.363 -11.927 12.309 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 -7.877 8.961 17.642 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 -2.170 0.548 -4.033 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 -23.399 2.928 -7.535 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 -4.078 -0.244 -0.516 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 3.779 -0.511 -2.165 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 20.094 2.528 -10.500 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 -1.809 -13.293 4.792 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 -5.201 5.089 3.770 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 -8.203 0.328 -5.088 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 6.053 11.857 1.710 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 -3.022 3.129 -1.503 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 -12.551 -15.243 8.077 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 0.440 16.564 -5.911 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 1.751 -3.427 -5.028 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 -12.200 1.940 8.838 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 19.217 -1.118 -0.060 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 6.379 -0.397 8.283 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 4.093 9.535 -0.409 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 -18.951 16.649 -23.873 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 -4.241 -1.865 4.423 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 -15.355 -0.410 3.997 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 -27.013 -2.910 9.668 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 0.588 -7.649 -3.689 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 -6.497 1.591 -0.006 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 -0.644 24.925 -17.984 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 -2.961 4.435 -5.536 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 9.151 9.355 -11.707 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 -4.033 -8.018 0.123 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 -0.298 -3.010 -0.065 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 15.539 -10.267 -6.070 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 4.438 -8.051 -5.490 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 -4.494 1.238 -1.783 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 -40.124 -23.424 22.488 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 -22.445 -16.015 16.043 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 -3.398 -2.083 1.626 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 9.541 8.015 -1.138 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 13.429 12.270 1.512 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 -1.045 -2.593 -6.360 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 -6.301 7.573 -7.108 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 -9.190 -6.697 -4.856 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 -7.615 3.275 -0.339 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 -8.650 6.135 5.480 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 -8.146 4.292 -5.915 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 -1.094 -1.922 1.553 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 -9.507 -8.778 22.674 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 6.339 1.199 -7.081 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 -2.885 -2.056 5.033 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 -32.654 -8.007 -9.491 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 -21.216 -2.076 -2.544 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 2.579 3.093 4.376 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 3.647 -2.200 0.875 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 6.207 5.918 3.066 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 8.756 4.150 -0.392 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 12.609 8.313 -16.686 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 27.223 -19.897 -2.253 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 3.883 0.596 3.678 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 0.043 -5.456 13.033 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 -9.859 13.567 7.644 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 1.279 2.161 5.118 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 -10.997 14.415 5.649 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 3.237 -1.921 0.305 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 3.704 3.552 -3.410 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 14.770 22.775 6.931 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 -28.109 -19.215 5.317 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 -0.581 -1.516 -2.957 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 19.225 11.801 17.163 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 2.822 10.546 -0.631 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 -4.378 4.114 1.193 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 2.894 1.822 -6.832 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 -0.109 9.899 4.123 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 -3.714 -0.609 -3.036 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 -7.924 6.528 -5.218 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 -5.516 -7.119 -6.057 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 -0.030 -3.907 -2.600 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 8.303 -1.173 19.191 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 -7.902 -5.699 -10.877 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 -0.963 -3.258 5.209 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 -3.052 1.512 16.730 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 -3.885 0.346 9.034 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 3.863 0.315 -0.088 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 21.129 7.902 -13.620 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 1.676 -19.920 -5.834 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 -0.064 0.988 -4.602 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 -26.465 -6.861 -6.051 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 -10.816 -22.429 -7.492 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 -2.201 5.555 -2.704 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 22.110 -16.306 -32.683 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 3.209 -0.453 17.947 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 -0.189 0.611 -3.905 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 -10.530 -15.992 11.898 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 4.772 11.466 17.760 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 0.127 -4.864 -0.190 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 -13.386 22.833 3.697 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 -6.777 16.393 -3.050 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 1.596 -1.349 -2.416 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 29.982 -14.958 -23.394 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 -14.958 -10.030 -24.061 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 0.159 0.506 -3.120 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 -21.801 5.185 16.357 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 -6.783 0.498 4.039 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 0.246 -2.156 0.619 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 -5.283 -8.217 6.116 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 -1.542 9.528 -7.840 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 -0.844 8.676 -2.117 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 3.348 -12.968 -2.774 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 23.467 9.106 -25.798 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 4.154 3.646 1.215 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 3.884 1.263 -3.230 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 4.111 -4.397 -14.139 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 5.778 -1.099 4.467 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 2.632 -24.719 13.442 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 13.279 -2.628 -19.282 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 -0.986 5.356 -0.587 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 3.265 18.900 3.840 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 -1.383 -0.216 10.674 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 2.690 -1.267 0.804 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 19.486 14.283 3.874 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 1.806 -8.125 -2.502 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 -10.501 2.806 -2.765 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 -1.459 5.995 -1.557 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 -3.546 6.222 2.491 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 6.259 4.643 -3.629 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 13.364 2.535 -2.606 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 11.540 2.296 1.612 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 4.731 -7.444 0.422 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 0.011 -23.046 0.255 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 5.699 -6.778 -15.735 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 2.668 -5.499 -2.611 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 -16.315 -29.649 -4.683 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 -7.933 -32.749 -6.980 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 7.092 1.003 3.230 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 15.206 -14.694 -9.690 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 -8.861 13.764 -6.167 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 -4.176 0.443 -3.964 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 -22.087 -4.513 2.312 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 -3.177 -0.183 -2.805 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 -6.796 -2.011 -0.571 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 -8.565 -0.240 -0.257 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 -9.130 0.576 -1.352 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 -3.578 0.645 3.933 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 -2.144 -8.393 4.494 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 -8.011 -28.668 0.654 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 3.049 -1.527 5.624 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 -17.405 9.718 11.711 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 -17.121 -16.795 8.735 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 -9.180 -0.786 -3.184 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 -15.369 0.069 -18.413 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 6.410 -10.719 -5.036 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 -1.476 -0.827 -6.640 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 13.027 -3.944 -23.280 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 -8.548 -21.869 -8.813 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 -3.254 -0.418 0.849 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 -6.637 11.331 -7.712 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 11.074 -18.105 -10.109 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 -0.996 -2.356 -9.136 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 6.033 -2.204 2.513 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 5.130 15.494 -10.225 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 0.749 -1.102 -3.171 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 5.042 5.513 -11.055 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 4.379 -5.968 8.070 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 0.680 3.524 1.226 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 9.822 -5.584 -5.071 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 -7.629 -5.673 11.571 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 0.981 -0.483 2.728 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 -4.031 -5.334 -5.845 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 9.480 -7.039 5.374 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 5.536 -1.726 3.548 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 -1.805 -12.942 2.500 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 0.474 16.819 11.905 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 -3.768 -0.396 -1.255 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 -2.796 11.556 22.977 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 -5.692 7.898 20.842 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 -5.923 3.786 3.245 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 8.887 9.390 19.774 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 -11.832 21.002 -8.649 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 4.546 -0.762 1.784 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 18.267 9.229 13.956 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 -14.542 -26.821 -21.630 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 0.700 5.129 8.255 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 4.660 7.823 9.172 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 20.798 -12.928 0.244 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 3.873 0.287 8.637 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 -17.457 0.654 -8.236 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 -2.389 8.131 28.086 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 -0.571 -2.486 2.713 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 -29.258 -21.870 5.448 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 3.809 9.321 -5.332 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 -0.200 -2.194 -1.180 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 8.277 6.357 -11.511 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 7.132 12.394 -11.953 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 1.378 -0.859 -4.712 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 3.554 0.449 -10.013 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 5.449 -4.590 6.170 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 -3.545 -2.634 -3.783 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 8.109 -4.793 25.972 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 0.987 4.974 -2.392 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 -3.522 4.784 -2.129 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 10.555 18.833 13.495 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 -27.553 -29.317 -22.475 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 5.192 2.144 3.916 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 12.131 12.495 -6.807 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 25.328 -3.361 2.018 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 -3.921 3.545 2.679 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 -1.999 12.595 22.088 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 5.094 -3.076 13.174 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 0.942 -7.683 0.414 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 -6.713 0.621 -6.324 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 9.154 0.589 -0.301 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 4.591 5.085 3.948 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 4.589 -3.919 5.292 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 6.569 4.129 13.155 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 -0.091 3.876 -8.223 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 -4.766 0.149 -4.967 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 16.801 1.982 -10.447 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 8.201 5.131 -3.150 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 -7.789 -15.152 -11.773 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 7.394 -13.275 -4.548 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 -1.529 3.168 -0.602 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 9.121 -7.066 -11.084 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 -6.602 11.809 -4.539 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 1.231 -5.649 1.437 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 16.154 -10.920 0.081 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 -27.252 2.998 -8.076 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 -0.327 1.213 -1.470 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 4.075 2.488 -3.892 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 1.850 2.102 4.354 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 -1.800 -1.086 0.028 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 4.843 -3.651 6.547 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 16.590 16.644 5.969 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 -6.896 -0.109 3.943 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 -18.911 -13.463 7.650 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 -9.096 -3.579 0.437 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 -6.458 7.650 12.829 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 -4.182 -2.059 13.659 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 -15.896 11.740 8.965 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 6.416 -1.480 2.163 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 1.813 -1.476 -17.704 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 9.907 -17.401 14.204 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 3.925 2.734 -7.736 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 0.574 8.561 -0.664 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 -5.844 -4.621 -3.348 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 3.112 1.397 -3.633 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 8.472 3.259 -2.290 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 -16.597 3.586 8.158 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 -3.917 -0.490 1.791 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 19.273 4.834 -15.398 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 -0.718 -8.044 6.378 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 5.339 -1.195 0.764 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 -10.390 -15.339 -8.346 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 16.413 19.036 20.773 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 3.997 2.113 3.026 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 4.746 -1.117 -10.066 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 -5.590 8.452 14.620 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 2.395 0.829 1.866 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 3.725 -8.739 8.374 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 1.994 -9.067 -13.271 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 0.180 -1.289 -3.148 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 0.741 -0.747 -2.392 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 8.762 -8.233 10.265 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 -1.254 -3.310 2.229 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 -6.947 0.936 7.685 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 4.948 -4.499 -0.607 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 11.874 -5.615 -3.581 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 -13.304 2.758 13.836 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 -6.762 -6.757 -2.516 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 1.892 8.153 -2.725 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 -20.146 -6.234 -13.695 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 -7.221 30.163 9.940 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 -0.599 7.527 0.540 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 4.322 -12.654 -5.743 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 -9.012 10.399 14.621 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 -1.538 -4.818 -0.787 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 -5.546 16.541 -22.426 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 5.770 5.640 -24.505 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 1.363 0.652 7.615 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 5.820 -10.261 37.720 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 5.334 11.153 -12.941 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 -9.852 4.217 6.906 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 -27.098 8.384 15.753 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 -6.158 -5.766 9.338 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 -0.608 1.639 1.742 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 2.477 9.410 11.495 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 -3.278 -2.691 8.239 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 1.455 4.159 -12.947 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 -2.285 5.424 -19.162 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 6.801 -0.389 -1.753 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 -2.033 -6.714 -2.234 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 5.741 14.627 8.680 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 1.843 22.846 9.307 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 1.887 2.711 5.593 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 4.061 3.797 0.742 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 -10.392 7.874 11.934 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 -0.657 -3.520 0.870 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 -2.172 -14.666 -13.442 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 -1.811 -10.491 -8.261 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 0.577 -7.767 -8.021 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 8.124 -20.691 -2.217 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 14.807 -11.323 -18.318 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 2.649 -8.757 -5.485 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 11.005 -1.685 24.454 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 26.902 -1.805 -29.386 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 -0.882 3.001 1.231 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 -5.379 -2.390 -24.572 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 -4.399 -1.710 23.929 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 7.421 -4.755 0.530 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 10.792 4.960 16.559 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 7.939 -1.906 5.111 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 -5.303 -2.620 -0.255 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 -12.535 -9.762 7.229 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 -11.520 6.229 -6.590 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 -1.752 4.411 1.863 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 -5.040 1.687 12.570 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 -2.069 3.763 10.771 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 1.893 5.025 -5.794 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 3.713 11.051 -12.099 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 6.726 -4.462 9.768 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 2.191 4.253 -0.762 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 11.445 -26.899 -6.975 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 -24.459 -0.728 21.084 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 -5.583 -3.826 -1.527 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 18.963 -14.415 13.232 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 13.957 15.788 -13.910 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 -6.021 4.744 -8.104 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 5.504 9.973 -18.895 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 -9.619 1.816 1.854 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 1.659 2.664 -8.686 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 3.191 13.537 0.640 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 -3.890 -4.233 -6.725 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 -6.644 -0.069 -0.164 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 -2.653 -9.342 -1.746 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 -9.414 3.185 6.615 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 -1.336 -1.912 0.292 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 20.791 25.257 -18.895 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 25.051 -26.841 16.599 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 3.398 0.403 4.299 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 -4.033 4.654 -18.891 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 11.837 -6.647 2.574 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 -1.278 -3.870 2.495 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 2.885 0.389 2.849 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 -0.833 -16.666 5.015 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 -0.775 -4.931 -0.648 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 17.082 -5.803 -3.644 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 -8.397 -12.727 6.019 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 1.322 -1.168 1.631 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 5.426 -6.494 7.657 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 -4.791 -9.212 -1.536 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 1.171 -3.794 2.413 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 -0.187 -6.365 1.422 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 -2.046 9.230 5.472 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 -2.749 -0.715 -1.830 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 -7.344 -2.948 -2.617 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 10.618 -0.905 0.595 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 -1.185 3.035 -2.417 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 -5.100 13.521 10.533 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 -11.638 -11.265 13.152 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 -0.991 3.513 -0.170 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 -7.509 -9.806 4.674 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 19.370 -2.796 4.896 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 -4.710 1.097 2.091 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 -9.259 5.827 -6.232 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 6.138 -0.148 -0.754 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 -2.823 0.258 3.068 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 6.755 12.760 6.032 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 11.310 20.172 6.911 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 -5.000 -4.626 0.784 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 -3.724 2.080 -21.360 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 -7.748 -3.757 -15.018 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 -0.167 3.104 -5.438 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 6.976 15.605 8.691 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 9.553 2.992 -10.285 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 1.113 -0.219 -1.692 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 -19.929 -17.084 9.714 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 -16.245 -2.027 1.581 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 -0.985 2.907 1.593 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 -4.299 11.616 -15.971 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 13.000 12.636 -23.031 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 2.611 3.553 7.360 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 20.440 11.306 26.765 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 0.367 -1.252 0.404 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 -7.614 -0.265 -7.199 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 3.441 5.376 -6.914 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 -21.884 0.606 10.328 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 1.605 -2.670 -2.531 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 0.824 -3.318 0.306 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 7.759 15.627 13.789 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 2.148 0.195 2.048 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 17.789 -3.994 9.347 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 -5.055 -15.306 -2.237 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 1.687 2.813 1.523 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 -7.036 -8.136 -0.659 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 3.703 11.297 -5.844 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 -1.913 5.776 -1.015 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 -6.097 23.466 -4.978 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 8.673 16.565 5.739 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 -2.071 -3.694 0.322 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 -3.920 5.833 -2.362 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 -8.002 7.380 -18.161 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 4.531 -0.541 8.410 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 28.680 10.785 0.019 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 5.917 -34.869 -14.728 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 -1.351 2.261 1.974 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 -2.958 1.652 0.375 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 8.251 -5.666 0.406 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 0.825 -0.771 -0.459 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 -4.292 -1.043 -0.285 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 -9.448 -1.149 7.194 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 -4.651 1.040 -0.550 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 -9.881 1.779 -16.106 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 10.118 -0.069 -3.523 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 -0.590 3.826 -1.697 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 1.886 7.102 -1.263 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 -2.657 1.442 0.663 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 9.268 -0.307 -2.237 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 13.182 -2.166 10.675 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 -9.859 0.926 -1.022 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 5.841 3.796 0.990 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 -16.803 21.763 -12.135 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 10.685 -2.200 4.880 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 -5.130 0.274 -2.356 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 -14.886 -14.277 2.368 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 7.921 0.347 -9.186 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 9.334 7.883 6.127 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 9.342 1.773 -0.859 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 14.598 -2.621 -11.758 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 4.089 -1.950 1.062 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 -22.900 6.536 -0.430 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 13.217 3.943 0.217 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 -1.656 -6.656 5.952 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 -1.315 -5.630 6.234 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 0.068 -1.910 14.931 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 -3.236 -0.553 3.074 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 0.327 6.784 3.166 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 8.569 -0.784 -1.010 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 -0.955 -3.082 0.639 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 -2.064 -4.507 0.668 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 1.337 -2.091 0.130 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 3.439 -0.301 0.473 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 -7.740 2.473 -1.236 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 1.908 0.224 0.252 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 -1.463 1.504 -1.472 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 -8.540 11.327 -6.157 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 -2.729 0.745 14.195 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 -3.853 -1.008 6.783 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 4.025 11.738 7.103 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 -16.413 -20.693 5.340 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 8.665 1.562 3.154 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 12.680 17.079 10.189 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 25.224 8.416 -6.774 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 -1.095 -2.090 1.470 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 8.718 6.498 -12.821 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 -24.443 -21.102 -16.742 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 4.275 -3.803 -7.959 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 3.488 2.070 -5.951 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 2.555 0.010 -2.932 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 -1.332 0.091 1.302 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 -4.660 10.271 5.952 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 0.196 2.364 -4.433 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 -2.149 -6.322 -0.197 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 -6.247 -4.249 1.009 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 -2.323 -5.912 -4.330 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 2.056 -6.174 -1.041 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 3.739 3.540 -4.015 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 20.924 -15.673 6.653 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 -2.461 -2.965 -0.336 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 -10.233 3.331 7.702 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 -3.583 7.637 0.760 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 -2.134 0.289 -4.950 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 4.903 4.167 -3.532 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 -11.460 -0.913 -3.812 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 6.929 0.190 4.121 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 28.838 7.854 14.894 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 3.998 4.202 8.892 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 4.464 0.901 -0.551 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 6.320 0.289 -13.969 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 -7.570 -2.719 0.755 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 -2.076 -1.316 4.532 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 -6.854 -2.743 -13.490 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 7.024 2.851 -5.786 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 -5.900 -1.684 -6.236 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 -4.654 4.730 4.017 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 -4.014 14.379 12.827 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 -11.013 -2.776 10.747 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 -11.004 -1.196 0.738 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 4.124 4.957 8.350 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 -0.506 -1.358 3.532 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 2.886 -8.849 7.847 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 -8.195 2.126 9.117 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 -0.493 3.224 2.210 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 -19.311 -3.076 1.525 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 25.729 4.390 3.032 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 -2.715 0.042 5.580 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 12.728 -13.484 4.825 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 -1.840 -15.483 -7.790 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 -9.667 3.610 -4.821 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 -22.327 -0.909 -6.960 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 11.846 10.783 -13.923 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 6.240 0.152 3.246 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 9.428 -2.612 -0.660 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 2.394 11.339 13.920 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 -6.164 -4.616 5.467 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 -21.807 2.999 -1.682 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 -6.540 -21.404 11.096 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 8.619 -2.404 -3.846 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 12.392 -4.692 -4.331 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 -1.915 5.525 3.883 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 2.152 4.166 0.256 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 39.013 1.883 -12.280 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 17.407 11.345 4.841 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 5.542 -1.217 2.315 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 -23.831 3.189 -2.721 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 -15.528 -7.397 18.941 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 1.750 -0.361 -5.864 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 7.999 4.438 5.249 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 -15.177 -15.438 5.427 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 -2.213 -5.132 -4.965 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 12.833 19.980 -18.206 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 21.425 -11.249 4.974 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 -2.705 1.507 1.593 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 10.412 -19.019 19.006 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 -23.620 -18.101 -22.297 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 -1.027 2.309 -2.962 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 -2.833 0.600 -4.820 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 5.654 24.985 1.879 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 2.405 -6.012 -1.493 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 -6.863 -7.335 -6.260 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 4.931 -13.699 9.718 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 -2.300 5.206 -2.366 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 11.810 -26.117 0.302 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 16.391 10.817 34.894 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 -3.086 -0.022 -1.727 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 -1.701 6.704 1.529 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 0.700 -8.714 -5.696 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 1.624 1.339 1.071 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 -12.714 -1.672 -5.303 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 5.341 -6.414 2.626 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 -4.188 1.308 1.481 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 -4.867 -0.135 -1.290 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 -6.151 -32.765 11.661 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 -0.961 -1.502 -4.132 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 -9.107 -5.535 -4.542 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 -6.423 -6.058 -2.716 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 0.913 -5.131 -2.949 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 -4.590 -5.917 -2.228 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 -1.819 0.335 -0.929 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 -0.557 -6.740 5.309 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 8.493 0.587 -26.291 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 9.690 -3.111 8.812 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 -2.667 -4.680 -6.955 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 8.676 -11.087 -29.271 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 -10.222 -11.218 -14.433 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 -0.107 1.854 -3.816 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 -4.114 -0.569 -2.959 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 3.583 3.191 -1.092 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 -2.010 -3.509 -4.078 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 -14.522 10.810 -8.536 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 6.508 -15.248 -8.892 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 -0.762 -4.193 3.788 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 5.461 4.651 6.945 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 -3.553 -9.179 -2.481 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 0.060 -0.567 -5.311 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 -12.252 12.870 9.932 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 -18.850 -17.702 10.066 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 -8.150 0.901 -2.287 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 -18.057 -2.651 15.855 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 8.445 12.390 2.342 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 0.939 5.691 -9.176 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 -3.548 -0.363 0.508 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 7.385 -11.583 -4.056 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 -1.645 -2.174 -4.946 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 -1.147 8.307 7.355 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 -2.739 9.117 7.241 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 -2.706 0.361 -1.677 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 -1.203 6.129 -19.087 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 4.855 -18.200 -31.138 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 2.078 1.346 4.779 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 6.887 0.685 8.712 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 3.552 -4.047 -1.125 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 2.305 1.108 -3.090 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 -1.197 -3.290 -7.682 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 2.378 -3.438 3.340 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 0.790 1.848 2.677 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 7.788 -5.746 -9.142 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 -12.169 23.952 -2.319 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 -2.675 0.201 -3.012 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 -10.380 13.036 15.264 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 2.680 11.906 3.092 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 4.078 5.399 6.800 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 3.581 4.273 8.736 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 -3.565 3.597 7.775 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 3.236 0.328 6.262 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 6.587 -6.464 9.949 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 9.340 6.261 -1.437 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 4.226 -1.787 -3.577 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 3.201 15.833 11.711 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 3.981 4.058 1.466 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 -8.385 -1.329 -3.177 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 -8.383 10.341 24.594 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 -8.263 -4.258 -10.160 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 -4.313 4.507 -5.260 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 -10.217 -4.197 -4.611 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 -4.913 14.105 -16.156 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 -0.723 -3.828 -3.679 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 22.016 -6.158 -15.596 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 -23.433 9.260 22.712 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 -2.963 -1.961 9.296 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 -11.487 6.659 -11.853 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 -16.261 13.287 -8.688 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 2.027 1.029 -0.068 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 -5.613 -1.029 21.534 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 4.542 1.724 -7.140 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 -1.436 -1.882 3.223 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 -0.634 10.096 2.223 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 -1.449 -4.129 3.204 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 -0.820 1.969 -2.121 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 -31.578 5.571 7.662 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 10.010 -15.679 21.426 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 0.806 -2.958 2.430 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 41.441 5.854 -13.880 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 -20.909 33.707 -28.530 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 -1.692 2.304 -4.346 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 5.990 -6.378 -2.934 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 -7.574 0.289 -13.565 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 4.030 -4.332 -7.603 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 -2.799 -1.957 -8.917 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 6.346 -6.307 -13.504 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 2.062 -5.296 1.800 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 -15.114 8.203 -19.282 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 -37.523 7.647 -27.991 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 -5.199 -6.492 10.605 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 -0.660 15.272 -12.448 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 -13.586 17.131 9.255 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 -6.783 2.743 4.058 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 11.034 -3.308 -11.152 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 12.068 5.003 -18.019 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 3.528 -5.914 -0.612 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 -12.785 -4.263 -25.199 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 -1.506 12.665 -5.700 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 2.451 -4.699 -6.029 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 -8.628 15.149 -11.866 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 -4.705 20.512 5.587 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 0.820 -8.017 0.501 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 0.282 25.673 10.807 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 1.225 -27.959 -22.136 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 0.141 2.773 5.174 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 -6.432 5.929 0.379 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 -0.853 -10.004 8.986 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 5.857 3.497 4.993 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 -2.980 -14.349 10.370 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 23.231 3.244 -3.992 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 -3.449 0.164 -0.694 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 -0.883 -0.330 -16.502 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 8.702 7.985 5.222 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 -4.294 1.017 -0.492 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 -8.783 -6.862 -4.165 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 6.063 -8.445 7.844 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 -5.811 -5.142 -2.576 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 -15.115 -2.586 -6.837 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 -12.603 -8.586 -5.008 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 1.991 6.323 -6.335 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 16.818 -5.612 13.779 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 12.312 -1.228 -10.252 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 -1.392 1.445 -6.335 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 -12.730 16.920 9.163 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 14.130 7.371 5.328 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 -0.114 -2.747 8.053 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 0.443 1.593 10.701 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 2.653 -4.662 12.285 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 0.056 0.786 -0.011 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 10.305 -2.963 -6.814 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 22.292 -5.164 14.245 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 -2.469 -8.174 -5.709 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 -1.104 -16.008 -1.637 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 -4.050 -5.327 0.115 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 0.621 0.337 -1.888 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 0.970 -2.585 -5.318 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 3.679 12.154 -11.200 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 -1.842 -1.009 1.387 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 8.288 13.809 6.483 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 -16.916 16.059 3.232 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 7.661 -2.220 -1.442 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 6.455 -4.229 0.680 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 -4.195 9.362 6.521 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 1.682 -1.994 -2.718 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 -16.435 3.542 5.553 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 5.381 0.914 14.836 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 1.152 -1.605 7.086 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 -16.905 -5.521 -23.679 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 -15.248 -10.086 32.513 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 -4.552 0.001 -2.503 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 -3.722 -13.782 8.572 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 4.118 2.448 11.789 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 -0.617 -5.283 -3.588 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 2.453 -10.762 -16.159 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 32.264 -18.294 -5.490 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 -5.924 -1.443 0.107 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 -8.377 8.744 9.540 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 -6.945 3.458 -1.901 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 -3.181 3.102 2.478 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 21.790 -0.913 8.918 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 -4.287 -8.460 19.678 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 -3.201 2.618 0.871 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 -8.290 13.114 -3.797 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 -6.070 16.252 4.817 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 -4.874 2.508 3.831 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 5.622 -6.160 -6.914 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 -20.657 -14.736 10.925 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 1.455 0.542 -2.221 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 0.337 1.281 -4.594 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 -0.121 -5.625 25.215 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 1.846 3.794 7.246 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 0.724 11.839 14.148 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 2.774 1.858 12.859 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 2.398 -5.532 -1.958 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 4.466 -12.303 -7.353 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 3.158 -11.634 -1.609 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 -2.043 -3.289 -4.356 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 1.610 8.103 11.183 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 4.261 -4.919 3.384 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 0.772 3.308 0.195 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 23.330 -0.080 -17.263 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 13.169 -0.538 -7.007 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 -4.409 1.023 2.275 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 -7.267 10.785 2.136 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 -4.829 -0.885 3.159 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 -5.628 -0.085 -0.732 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 6.937 0.450 -2.122 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 19.902 2.021 -3.563 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 -0.830 -0.018 1.387 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 3.882 25.718 11.466 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 -2.317 -7.769 10.741 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 1.042 0.071 2.782 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 -14.540 11.699 2.212 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 16.239 15.265 9.885 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 -2.075 -2.113 -0.602 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 -17.766 -12.619 -3.315 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 10.132 7.217 -10.621 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 -0.396 4.664 -3.110 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 -8.929 -2.353 -2.162 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 -1.970 -6.613 -25.386 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 0.907 -4.498 3.550 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 14.122 13.018 3.782 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 3.837 -23.644 1.767 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 -1.399 5.141 -4.162 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 1.537 -34.479 -10.870 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 -3.428 44.389 3.043 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 5.863 5.737 7.113 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 7.634 -6.026 -0.040 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 1.942 8.182 9.300 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 0.590 7.392 2.886 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 -5.540 -3.254 11.158 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 0.673 -4.023 6.990 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 6.759 -3.672 -7.986 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 7.891 -11.661 -6.378 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 -3.307 -10.781 -15.527 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 -0.633 5.735 -0.285 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 0.200 7.854 -12.794 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 -10.894 8.007 5.039 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 -1.250 0.214 -6.383 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 -13.844 0.720 -7.465 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 0.323 -0.332 6.924 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 -3.843 -3.323 4.385 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 7.202 -7.518 -16.929 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 5.201 -9.632 3.379 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 5.313 -1.028 0.131 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 5.208 -0.534 1.809 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 9.890 7.727 -7.129 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 1.427 5.545 -5.898 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 17.639 26.976 -9.960 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 -4.174 17.624 -12.186 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 -3.147 2.036 -2.898 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 22.340 8.969 10.742 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 -5.250 1.482 -15.029 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 0.081 2.423 5.973 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 13.271 -21.775 -1.937 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 2.092 7.306 11.574 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 2.719 0.884 -0.733 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 16.103 16.130 0.444 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 1.872 -16.988 7.639 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 5.284 5.486 -3.725 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 -11.267 8.888 -3.159 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 6.582 9.945 7.503 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 2.900 -0.546 -1.964 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 14.643 -18.179 19.541 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 -0.756 -14.185 -1.347 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 -2.104 -3.090 -2.906 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 1.238 -29.437 -15.060 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 0.533 -6.519 22.459 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 -5.536 -0.724 3.775 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 5.511 -11.641 31.966 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 -20.543 -14.737 3.001 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 7.501 6.904 2.570 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 8.360 -6.828 -8.920 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 9.547 7.459 -4.693 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 0.180 2.250 -4.331 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 -5.294 15.688 -8.213 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 -15.521 10.921 0.838 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 4.425 0.661 -4.481 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 9.141 3.239 -7.724 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 -0.885 8.938 -15.181 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 0.082 0.977 6.735 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 8.660 2.564 -1.739 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 2.079 10.508 17.705 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 -5.995 1.361 -8.716 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 13.526 0.523 2.447 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 -19.427 -6.093 -30.162 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 -3.845 1.811 0.750 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 -0.735 -4.953 0.903 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 1.840 -3.920 -11.797 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 -0.141 -3.760 1.177 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 2.362 15.484 -0.402 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 -26.913 8.084 -18.392 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 -0.439 4.594 -8.264 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 4.037 -9.462 -6.666 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 -15.132 22.537 45.558 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 5.860 -3.299 -2.303 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 15.411 24.120 -5.912 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 -22.734 26.618 -7.858 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 -1.843 -2.299 -2.883 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 1.934 -11.222 11.055 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 -1.501 -2.478 -2.385 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 5.617 -5.936 1.275 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 -10.398 0.406 -27.063 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 -10.929 -27.479 8.715 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 1.465 -0.184 1.033 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 -0.217 -4.578 2.483 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 -5.265 -25.970 3.381 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 -3.321 -0.992 -2.959 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 4.799 -4.688 3.788 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 -18.550 -3.158 7.974 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 8.246 0.957 -3.126 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 1.826 -4.112 -0.596 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 14.047 -6.007 -7.346 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 -3.348 5.555 -2.082 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 0.584 16.421 -5.449 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 -8.890 2.336 -3.185 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 -2.627 -3.571 -1.762 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 12.638 6.706 -4.796 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 -7.961 -4.328 19.838 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 9.815 -2.667 5.449 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 -0.721 -21.661 -12.370 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 -17.934 33.024 8.236 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 5.294 -1.197 -6.477 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 -6.986 10.416 -0.295 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 22.168 -7.905 -24.008 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 -4.677 -3.749 -2.453 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 -7.457 -2.738 -1.160 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 -14.436 -2.974 -0.295 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 2.978 -2.311 -2.252 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 24.664 11.189 -5.639 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 20.982 10.387 6.588 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 5.967 -3.228 3.120 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 11.291 16.434 1.519 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 10.157 8.119 5.258 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 -2.292 -2.182 7.154 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 11.224 -10.248 12.522 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 2.532 12.576 4.123 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 -2.399 -1.945 -5.930 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 -4.567 -17.581 -19.718 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 18.468 5.364 -8.589 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 0.218 -3.308 -1.710 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 -20.571 -25.972 -1.423 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 -4.222 -3.647 -27.722 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 -0.111 -0.810 -3.074 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 -3.771 -0.187 -6.017 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 -2.347 9.196 -36.693 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 -3.689 4.009 -3.328 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 -0.712 4.405 -7.065 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 -13.610 7.776 -19.319 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 -0.571 -5.872 3.609 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 6.000 -1.068 -8.058 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 0.269 -5.826 22.297 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 -1.844 1.380 8.837 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 -3.103 -0.403 10.846 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 7.019 4.479 7.857 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 5.255 12.148 -7.251 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 12.799 17.209 -15.107 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 -4.352 -11.711 0.932 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 -1.669 -3.963 -0.252 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 6.016 3.537 -12.022 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 18.103 -22.801 18.611 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 0.480 -1.029 4.310 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 -7.076 -4.788 16.034 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 -6.751 -1.721 -6.842 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 3.320 -1.495 -4.540 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 3.838 -1.722 -3.998 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 3.798 -0.641 -4.454 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 6.758 5.179 -6.981 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 -0.919 21.700 20.206 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 16.160 -12.172 4.489 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 0.319 -1.056 0.903 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 -2.609 -0.716 1.239 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 1.087 -1.005 -3.249 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 -4.519 -5.873 1.151 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 -11.987 -4.837 1.400 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 -5.274 -12.792 3.219 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 -0.667 -3.163 -1.762 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 19.848 -7.089 3.872 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 4.149 -1.731 -11.341 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 -6.683 9.876 4.187 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 -6.884 8.735 10.057 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 -6.869 9.187 5.441 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 1.585 1.366 6.571 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 1.561 8.080 11.702 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 1.774 8.547 12.109 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 7.172 -0.479 -1.325 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 4.627 15.256 8.464 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 -1.974 -16.899 4.922 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 1.944 10.881 3.039 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 8.105 21.531 -9.991 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 -8.261 -1.472 -1.346 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 1.679 4.402 -5.686 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 3.269 -8.605 27.639 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 -7.779 18.763 -11.610 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 -3.420 2.768 3.417 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 -25.879 -10.359 -1.754 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 -0.073 -8.913 6.871 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 1.071 4.261 0.606 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 4.254 -3.812 -0.974 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 -3.189 7.961 4.226 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 2.708 -5.503 -1.901 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 -6.819 2.116 21.808 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 -3.151 -22.670 21.234 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 -3.030 1.447 -6.092 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 3.481 -5.231 -4.244 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 -8.484 1.295 -21.736 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 -10.660 6.466 -7.061 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 -3.759 4.931 -15.445 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 -9.077 5.913 -8.193 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 -7.021 1.555 4.417 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 4.889 5.061 13.816 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 -2.853 -0.529 5.479 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 -5.540 -0.476 -1.734 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 -5.629 -1.484 -0.787 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 -15.350 0.635 -8.835 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 4.835 0.153 5.177 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 -2.363 -0.074 -9.194 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 12.208 1.442 -2.936 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 -0.281 -0.029 1.176 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 1.902 -8.653 7.451 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 -6.245 0.264 -6.809 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 -3.612 -3.820 4.983 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 -0.738 4.351 0.216 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 -8.093 -6.485 7.802 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 -4.456 4.690 -1.824 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 -18.954 16.468 16.207 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 -30.024 4.854 -5.196 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 4.981 1.064 1.410 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 8.683 9.467 -0.911 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 -2.994 -11.522 -2.236 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 2.708 1.338 -2.828 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 7.665 -11.294 -3.672 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 12.131 13.327 10.528 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 1.529 -0.609 3.644 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 1.487 -17.689 -14.534 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 -0.719 -3.878 2.303 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 1.860 -1.488 -4.554 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 -0.354 -6.307 -4.452 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 -2.942 -6.468 -5.630 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 6.109 -5.261 5.821 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 1.576 5.449 2.597 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 7.393 13.690 4.597 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 -2.317 -1.812 2.490 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 4.659 5.114 14.797 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 1.952 8.139 -26.249 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 1.031 6.435 -3.110 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 -13.797 -1.473 0.720 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 -1.931 22.241 -0.432 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 2.666 -0.033 1.329 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 3.933 -13.813 8.625 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 8.715 -2.045 -17.554 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 0.904 2.103 -3.827 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 20.551 -2.336 -9.224 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 -0.415 0.520 8.766 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 2.892 -2.695 3.526 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 -4.300 0.588 6.788 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 0.818 9.372 2.962 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 -8.512 2.632 0.250 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 -16.412 -4.275 -4.239 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 4.484 4.841 -6.095 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 -1.992 1.481 3.591 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 -0.843 -1.729 27.194 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 -2.327 3.784 -8.664 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 2.623 -4.524 -6.152 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 16.886 -16.241 -6.839 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 -14.700 -16.542 2.113 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 0.796 1.514 0.392 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 3.791 10.076 -9.745 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 -4.639 -9.649 21.608 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 2.598 -6.902 -5.159 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 23.430 -13.151 6.845 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 3.459 14.412 -7.471 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 3.044 -5.923 0.948 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 -22.705 1.425 -3.653 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 0.278 -7.031 5.687 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 1.965 -1.053 -0.665 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 7.392 -3.031 7.661 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 -11.038 -0.050 -14.022 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 -2.949 5.285 1.132 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 -3.082 -2.893 -5.365 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 9.897 -1.541 19.217 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 11.081 1.275 -3.706 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 -1.789 -6.895 -18.909 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 17.504 18.471 -28.129 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 2.268 -2.147 3.426 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 -2.808 -6.104 -17.440 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 1.128 -3.994 1.386 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 -2.133 3.703 0.556 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 -8.582 4.967 13.832 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 -6.371 17.987 -9.981 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 -4.084 2.786 -10.264 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 -7.460 -6.341 -9.787 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 -9.581 3.362 -11.928 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 -2.081 -1.816 1.129 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 -5.909 1.301 3.868 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 -3.775 11.031 0.889 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 -3.514 1.941 -1.403 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 -2.480 21.510 5.768 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 -3.749 3.165 -1.277 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 4.664 -4.225 -5.572 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 -1.516 0.075 -9.803 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 -5.439 9.756 -15.470 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 -0.518 4.515 -6.070 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 -30.609 -11.103 -0.812 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 -0.381 0.592 -18.400 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 -6.374 3.124 0.019 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 -3.148 -2.245 7.238 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 -16.796 10.142 55.453 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 2.167 -2.643 -0.451 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 -7.275 -1.855 4.521 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 7.565 -2.077 0.792 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 2.230 -4.914 3.324 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 5.438 2.060 -3.184 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 -15.419 0.979 -20.723 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 -3.589 3.838 5.721 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 -16.970 5.429 -11.694 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 -11.752 13.099 21.024 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 -3.090 -1.150 -1.147 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 -16.661 4.735 15.335 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 -1.784 1.810 -13.816 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 1.228 -0.348 -0.676 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 -7.337 -4.907 -14.963 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 -14.267 1.036 10.126 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 -4.743 -2.066 -4.559 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 -5.741 -4.233 12.194 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 7.030 -12.956 15.908 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 3.845 -0.229 -1.296 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 -0.099 2.618 -11.333 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 -7.382 18.840 24.504 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 -3.656 -0.371 6.610 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 10.814 -12.968 2.690 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 -7.604 -6.794 5.014 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 1.516 -0.297 1.065 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 -25.080 -20.483 22.820 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 -1.319 18.129 -23.327 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 -1.743 5.179 -4.110 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 -7.432 -11.781 14.565 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 6.086 7.995 12.252 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 -10.105 2.759 -4.365 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 8.008 3.977 -14.243 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 -13.763 1.983 1.067 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 -6.005 -6.641 2.665 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 -4.067 -9.566 2.152 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 15.299 -27.356 -2.950 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 -1.533 -2.791 5.813 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 -2.530 -6.452 23.950 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 -9.982 8.052 -20.008 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 -0.410 5.051 -2.761 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 -6.313 -1.432 -2.304 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 -0.123 10.687 -24.683 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 4.245 -1.955 -4.821 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 6.273 -13.109 -0.920 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 16.411 8.309 -2.449 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 -1.146 3.755 -3.013 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 17.610 12.407 17.046 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 -2.205 7.033 1.111 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 2.368 -4.570 7.831 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 5.652 -13.870 22.855 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 6.784 11.450 -11.382 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 2.799 0.084 -2.553 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 0.463 -1.690 8.554 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 5.317 7.456 -6.185 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 -2.179 -1.731 5.269 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 6.093 -3.377 -15.273 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 11.189 18.102 22.946 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 3.734 1.336 5.332 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 -9.137 -14.903 20.281 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 12.370 -3.179 -7.843 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 -0.249 4.712 -1.123 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 -3.017 0.394 11.020 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 -6.159 -0.615 -6.470 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 -2.613 2.086 -5.321 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 -0.805 -2.399 -4.000 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 -2.349 -0.514 -4.030 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 -3.385 -4.832 -0.786 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 0.471 14.257 3.253 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 5.082 19.180 -4.449 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 -4.947 -4.270 4.034 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 -2.900 14.318 -1.117 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 -4.886 -3.732 3.934 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 -1.027 -2.423 3.996 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 -23.305 -24.667 -16.324 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 -25.622 -20.541 -7.765 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 -0.163 -2.917 -5.266 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 -9.707 -8.626 -6.889 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 -17.159 -11.897 -11.631 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 4.529 -2.092 6.427 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 5.961 -3.803 7.012 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 -16.266 20.246 1.222 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 1.035 1.649 1.986 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 -6.139 1.709 6.850 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 7.651 2.684 -0.181 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 1.036 8.737 -4.074 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 13.208 6.897 -3.604 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 -1.162 18.014 -7.967 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 1.571 -3.044 -2.224 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 14.850 3.126 -2.888 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 8.961 11.141 -7.803 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 -2.210 -1.228 -4.058 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 12.165 -12.088 -13.763 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 -8.615 7.029 -19.187 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 -0.872 -0.194 0.074 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 -10.310 -8.055 19.277 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 -20.210 20.611 -0.173 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 0.174 -0.672 -7.537 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 17.037 -4.244 -10.673 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 -6.936 0.719 -6.772 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 2.176 -2.917 -1.500 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 5.195 -5.684 0.298 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 15.980 -18.964 9.780 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 1.636 1.342 1.041 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 2.909 -2.260 -22.871 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 12.284 -6.589 6.321 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 4.258 2.152 -5.604 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 7.988 6.321 -4.601 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 16.259 -14.547 -4.364 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 0.917 -1.882 4.136 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 10.435 -24.305 11.602 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 -8.132 -26.954 13.578 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 1.737 -2.684 0.328 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 -23.529 11.502 -9.958 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 14.797 3.524 20.736 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 0.098 -1.266 -1.895 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 7.293 -3.880 -11.547 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 -1.922 -3.618 0.946 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 2.942 -3.936 -3.134 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 -25.564 -0.818 -6.623 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 -26.696 1.815 9.223 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 -2.298 -8.463 1.767 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 14.481 0.742 15.018 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 5.363 -5.666 4.372 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 2.647 1.583 4.615 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 5.619 3.674 9.729 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 -1.926 -18.100 -10.151 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 -0.490 8.094 1.616 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 -0.467 6.566 1.009 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 0.537 3.114 -0.476 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 2.361 0.581 1.599 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 7.932 2.824 4.977 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 -4.030 4.222 5.647 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 -2.468 -0.212 1.422 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 -17.087 0.835 -10.376 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 27.725 -13.299 -14.305 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 -2.042 3.562 -1.499 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 0.528 4.779 -3.336 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 -0.557 1.954 -0.327 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 -0.276 -0.628 -6.153 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 4.008 18.740 13.315 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 -12.363 -12.192 -13.928 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 6.825 2.492 -1.206 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 8.629 -5.129 13.566 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 -7.764 4.754 7.157 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 0.738 1.569 6.456 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 6.686 -4.873 13.085 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 24.307 1.073 -10.483 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 0.614 -0.242 4.115 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 0.289 11.043 9.489 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 -0.818 12.168 -12.476 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 -0.089 4.387 -4.792 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 4.314 -2.010 -10.426 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 7.953 -4.269 9.040 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 -1.720 -5.420 5.964 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 -20.970 10.792 -15.639 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 5.202 -33.370 -9.037 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 -5.354 -2.487 3.153 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 -2.631 4.922 18.213 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 -7.444 -3.002 4.939 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 -4.755 -2.977 1.063 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 -1.988 -0.894 -1.596 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 -6.944 -4.086 0.583 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 -0.665 0.058 -2.385 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 3.229 -2.225 14.388 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 0.191 1.707 8.677 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 7.212 -0.356 6.391 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 10.169 -0.912 14.550 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 -16.583 6.238 -14.466 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 -6.326 -3.687 -2.372 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 -7.477 -19.930 4.937 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 -14.572 14.993 -11.164 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 2.746 -0.564 4.780 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 -20.194 -6.017 5.152 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 12.766 -24.698 -0.833 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 2.932 12.458 0.208 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 -17.953 6.088 -18.993 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 4.515 -10.590 17.712 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 -2.875 5.788 -2.963 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 24.228 -11.813 7.636 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 -4.714 -21.748 -21.079 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 -2.259 4.265 -1.739 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 -16.471 -6.316 17.945 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 5.919 8.982 -17.073 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 1.856 7.170 4.851 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 -1.216 5.731 4.626 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 1.749 1.487 -8.803 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 6.141 -5.342 8.175 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 11.069 -30.175 -7.949 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 7.290 10.155 13.657 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 -10.878 7.823 -2.726 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 2.722 19.399 -1.131 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 -12.897 0.560 -1.266 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 -3.305 1.244 -3.424 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 -3.573 -10.737 -2.121 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 0.935 -1.029 2.917 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 -2.239 2.342 -1.471 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 -1.376 2.317 -1.003 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 -1.405 -4.504 -9.666 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 4.839 1.188 -0.501 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 -11.254 -12.470 -9.430 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 -12.602 -11.369 -10.533 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 -0.135 -3.686 3.021 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 -10.978 17.378 -15.579 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 10.318 -10.886 -2.007 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 0.596 2.935 -7.125 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 4.153 1.896 -5.002 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 -1.975 -4.597 -6.463 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 -0.417 -3.722 2.821 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 -0.914 -4.480 5.922 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 20.846 -2.024 -8.571 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 3.503 1.890 -3.248 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 -18.778 -14.344 -8.276 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 -1.167 20.669 -22.018 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 -2.060 -0.983 1.161 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 -10.607 -10.518 -8.478 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 -7.842 1.956 1.541 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 2.513 -5.862 -6.880 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 3.821 -1.334 -2.350 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 5.068 -16.739 -16.907 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 -4.559 4.509 9.110 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 -25.541 2.974 0.052 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 7.938 -18.618 7.614 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 4.476 4.869 0.908 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 2.302 -2.870 2.761 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 1.926 16.685 7.426 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 1.055 -0.725 1.133 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 2.908 1.409 2.035 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 -1.402 -22.711 2.852 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 1.750 -3.399 -6.354 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 -5.811 -23.622 -8.285 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 0.881 6.067 -21.789 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 -4.037 -7.082 3.755 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 21.660 6.369 -13.133 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 -1.162 -3.793 -2.309 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 1.501 1.819 3.427 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 1.875 8.350 2.924 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 10.488 0.415 8.585 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 5.738 -2.532 -0.430 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 25.889 8.427 -5.644 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 -9.915 11.317 2.262 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 -1.135 -1.160 3.095 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 6.790 8.820 14.090 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 -9.562 -12.530 -15.093 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 2.809 -2.982 4.593 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 5.720 -6.035 4.542 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 -4.224 3.948 2.749 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 -1.018 2.821 4.474 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 21.465 -8.827 6.250 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 21.709 6.024 10.034 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 -3.299 -1.639 -4.504 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 15.843 23.068 -1.439 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 2.138 11.515 -7.687 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 -1.719 5.970 -0.379 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 -8.305 18.968 5.195 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 5.537 -8.664 -1.807 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 -5.341 -0.316 2.883 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 3.053 6.396 3.152 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 6.983 -11.028 8.005 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 -3.157 3.056 -3.338 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 -11.849 -7.640 -10.891 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 -23.849 -10.597 12.053 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 -2.330 3.378 1.856 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 -15.628 4.817 1.703 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 6.312 6.482 4.046 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 5.697 -2.670 -6.607 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 2.063 -5.750 14.321 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 7.412 2.449 15.589 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 0.747 -1.014 -1.130 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 -2.941 -1.809 -3.286 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 0.525 -1.491 5.850 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 3.449 1.421 -1.861 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 3.038 2.653 -3.418 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 6.554 10.501 -14.420 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 -0.235 -3.366 5.060 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 19.626 25.083 -15.087 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 -2.952 -2.738 5.868 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 3.018 -4.919 2.251 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 7.911 7.961 6.835 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 -8.235 -3.563 5.826 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 -1.242 2.099 -0.128 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 -37.440 0.754 -27.669 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 26.030 -10.785 7.663 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 2.405 5.711 0.585 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 2.700 1.082 5.024 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 -32.141 -17.477 12.671 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 1.749 0.201 -3.211 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 6.851 -3.225 -14.645 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 -17.894 -12.242 9.347 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 -3.627 -10.194 0.344 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 7.258 15.850 -15.023 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 -5.419 -21.887 -9.101 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 4.685 4.727 3.356 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 -0.064 15.916 4.706 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 6.813 1.664 1.075 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 -2.757 -3.571 0.011 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 1.839 -11.571 -14.715 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 1.227 4.749 3.933 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 6.519 -1.786 1.003 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 -3.992 1.001 8.911 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 6.455 -5.171 8.391 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 -5.750 3.072 -0.837 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 -6.378 -3.929 1.324 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 5.205 -9.960 3.981 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 -3.848 -3.248 -9.862 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 -18.340 14.192 -6.585 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 -5.492 -4.342 -3.496 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 -3.972 1.010 0.698 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 -38.650 9.016 1.801 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 -7.868 23.201 15.808 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 -5.541 1.991 -2.157 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 -11.107 0.373 -1.329 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 -8.186 14.643 -1.085 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 -2.403 0.349 -1.974 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 -7.480 11.293 5.862 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 -18.456 -3.776 0.761 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 -0.573 -4.840 -1.756 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 -9.145 -7.392 -13.173 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 23.116 -10.379 -6.211 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 1.091 -4.750 -0.283 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 0.918 -5.296 4.354 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 12.611 -11.568 -13.445 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 -2.116 0.344 -4.479 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 -9.686 21.535 3.203 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 17.644 -32.279 -29.224 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 1.362 -6.922 3.390 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 11.337 -0.749 -2.270 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 0.004 7.858 -16.867 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 5.180 -2.901 -3.319 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 -14.858 -13.664 0.434 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 15.213 3.429 -3.074 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 2.084 -2.371 -3.623 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 5.366 5.992 6.677 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 -11.497 -6.192 1.583 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 3.062 -0.600 -0.626 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 -11.881 -8.172 -1.479 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 -4.006 -5.486 -6.602 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 0.883 -1.293 2.767 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 -11.451 -5.137 -17.413 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 10.764 36.379 -8.506 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 7.402 0.636 2.839 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 -3.189 15.389 -24.478 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 8.146 7.549 -6.043 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 -3.532 6.418 -3.707 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 0.014 2.355 -0.755 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 -4.480 7.590 -5.307 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 -2.384 2.535 -3.407 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 -0.133 -0.500 9.202 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 -0.531 2.427 -9.362 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 2.663 -5.331 5.505 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 -0.701 -9.020 -1.710 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 13.350 -1.295 2.741 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 -6.195 4.032 2.772 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 -12.870 9.238 0.350 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 -12.629 9.271 1.879 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 -8.066 -0.303 2.612 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 -16.577 4.219 5.503 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 -6.862 -4.784 -1.455 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 -2.683 12.602 -4.813 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 0.511 15.232 -6.082 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 -11.723 4.027 -2.543 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 3.716 -0.937 1.829 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 3.143 -0.822 5.273 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 3.521 0.005 1.371 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 1.835 -1.969 2.679 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 23.269 -6.357 -21.172 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 -9.905 2.297 16.382 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 -4.454 2.036 -3.182 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 -5.999 -5.545 9.388 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 -6.803 -11.796 0.690 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 3.280 -2.021 3.541 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 -11.960 6.973 1.744 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 0.363 -4.214 3.727 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 6.644 1.049 9.037 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 -11.678 30.663 7.658 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 5.699 -0.025 -12.516 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 2.004 -1.215 -1.981 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 -16.928 -0.470 3.962 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 -6.874 18.911 -15.523 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 -5.403 2.534 6.394 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 10.124 8.172 -14.797 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 -15.272 -16.673 19.704 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 8.006 -7.522 10.209 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 19.150 18.587 0.543 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 -13.563 -5.187 -9.336 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 -1.564 3.746 0.686 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 18.093 -0.504 -3.595 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 -7.533 12.088 -2.737 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 3.201 2.121 3.150 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 4.032 9.122 0.562 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 10.639 -0.473 24.980 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 -0.813 5.170 -5.287 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 9.142 19.540 0.442 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 5.769 -6.290 -2.624 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 -6.211 2.154 -2.597 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 7.924 -3.209 8.591 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 -2.810 1.478 7.120 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 9.232 -3.622 -0.380 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 17.934 15.457 -9.274 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 6.335 -20.192 4.754 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 -7.853 -0.050 0.821 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 -6.364 4.893 -6.924 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 -7.742 -18.237 -5.378 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 7.086 -3.202 4.763 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 -12.580 5.700 -14.753 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 5.266 -27.247 10.553 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 1.038 0.177 0.859 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 9.316 8.345 4.131 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 -14.478 -13.022 -3.082 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 -1.033 -3.105 -3.365 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 -15.472 8.515 4.451 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 2.885 4.952 1.924 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 5.270 -4.540 -5.414 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 -6.939 -21.555 -5.971 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 -1.737 -15.731 9.113 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 0.257 -2.832 1.940 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 -3.518 -4.244 7.499 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 -7.067 -26.231 28.568 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 0.712 4.423 -8.188 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 -15.839 13.106 1.507 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 0.234 -13.762 -14.304 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 3.277 3.430 -0.201 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 10.416 -6.056 -9.808 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 4.636 -7.801 0.574 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 -0.521 -3.217 -0.621 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 -26.123 -12.651 -12.767 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 10.426 -13.919 4.230 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 0.252 2.071 -0.604 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 21.425 -14.819 -12.905 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 -2.822 -15.898 -22.286 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 3.433 -0.940 -1.372 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 -8.250 -0.413 -20.067 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 -14.797 -2.585 6.881 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 2.050 -3.046 -1.397 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 13.516 8.516 -11.628 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 18.178 -7.775 12.134 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 -3.857 -3.726 -0.436 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 -0.926 9.734 -3.155 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 -17.801 -13.818 11.084 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 -0.466 -3.855 0.661 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 -1.406 5.463 9.511 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 3.493 -34.958 7.502 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 -5.980 -7.803 4.593 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 11.149 -2.651 2.599 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 10.927 13.145 -0.325 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 -0.657 3.775 -2.128 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 -16.083 9.041 1.462 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 15.172 -5.745 -8.899 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 7.520 -1.914 -3.698 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 15.913 30.533 31.371 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 0.877 -6.037 12.306 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 -2.417 -1.281 5.520 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 -2.196 -3.889 3.029 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 -2.735 -16.147 3.863 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 0.738 -1.396 -7.596 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 21.045 -7.497 33.159 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 0.162 -9.920 1.878 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 -1.550 -0.398 -6.994 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 -5.989 14.493 1.156 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 -1.006 17.471 -0.006 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 3.578 2.301 4.385 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 -0.577 -16.604 8.144 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 10.616 -0.981 -3.202 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 -3.247 5.402 3.420 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 -2.700 9.507 -9.999 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 2.496 -4.536 21.484 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 7.178 -0.954 2.882 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 -3.259 22.102 5.160 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 -23.535 -29.705 -0.944 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 -1.282 -3.271 2.742 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 -2.632 -3.789 -0.304 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 -5.565 -1.455 -0.092 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 -0.435 -1.733 -0.599 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 -0.881 1.960 1.112 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 -2.193 -8.587 -4.186 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 -3.446 -5.281 -1.906 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 -21.891 -12.436 1.475 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 -3.315 4.750 -5.792 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 -2.253 0.000 -1.938 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 9.915 -9.242 -3.445 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 -1.530 5.437 -12.974 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 3.949 2.041 0.811 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 1.000 3.657 -5.272 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 2.556 0.730 8.648 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 -2.686 -2.217 -3.377 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 14.490 -6.575 -12.762 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 -22.563 8.658 -7.571 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 -0.787 6.634 -8.392 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 -0.270 12.525 0.124 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 -1.633 2.450 -15.353 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 -5.173 -3.271 0.613 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 -0.743 -1.395 -2.883 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 -4.957 1.654 5.475 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 0.071 -1.716 1.950 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 13.686 5.197 -9.460 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 20.361 -12.441 28.431 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 -3.295 0.974 -3.989 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 -8.107 -14.875 -6.183 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 -7.339 20.489 -3.282 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 3.245 -0.244 -4.037 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 7.481 -5.857 -3.224 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 -3.923 5.278 -25.273 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 -1.144 -4.223 -0.323 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 9.702 6.563 11.045 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 2.413 -0.678 2.051 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 -4.537 -0.380 1.576 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 -0.041 -14.121 9.545 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 1.409 -2.988 -2.889 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 3.372 -4.374 -0.334 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 17.941 -7.994 1.349 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 2.881 13.980 3.209 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 -0.165 2.660 2.016 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 12.518 -10.778 13.357 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 7.612 -12.222 14.015 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 -2.091 1.606 -4.894 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 -9.750 -7.024 -26.302 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 2.461 -3.571 13.822 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 -1.243 -3.795 -0.041 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 3.686 -17.541 13.507 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 17.450 -19.856 7.754 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 -0.876 8.317 -2.484 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 -10.967 -13.573 2.989 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 -16.107 -21.825 3.667 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 -0.854 -1.038 -1.389 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 8.966 -5.142 -6.420 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 3.686 3.443 -3.701 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 -2.837 -3.329 -5.455 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 3.504 -3.358 10.785 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 2.300 -14.254 -9.370 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 -7.471 -0.716 3.309 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 -5.577 -14.550 7.625 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 0.576 1.918 -10.471 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 0.185 -2.357 -0.284 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 -4.787 -11.000 1.661 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 -13.459 -26.894 3.755 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 -0.830 4.889 -0.641 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 7.507 0.443 10.537 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 0.607 -3.836 -10.692 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 -2.919 -0.851 -3.242 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 -32.786 11.787 10.443 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 -1.397 -4.067 -7.169 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 0.290 2.754 -0.739 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 19.198 -19.281 31.380 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 -10.160 15.069 -17.614 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 -2.702 -5.046 2.905 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 -11.502 6.764 -4.987 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 -0.268 -7.093 4.835 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 4.627 0.507 0.497 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 4.736 8.744 -4.796 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 -1.496 8.754 2.429 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 -3.874 7.303 1.345 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 -6.461 -1.969 6.995 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 2.692 22.486 -3.271 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 2.845 2.562 -8.900 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 3.187 -6.824 -27.979 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 8.826 10.418 -1.893 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 0.112 0.433 -1.223 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 7.503 -15.830 9.297 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 -7.628 16.749 -18.263 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 2.344 -2.533 3.999 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 -0.144 -14.241 4.669 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 8.546 10.511 2.918 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 1.640 2.872 -0.664 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 -4.052 1.710 -15.579 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 -0.245 -0.994 -13.042 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 0.424 4.473 0.749 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 -2.197 3.291 -3.731 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 1.887 -13.526 -25.858 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 0.799 -3.052 0.505 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 -4.552 -3.124 -6.186 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 -10.266 -0.109 -19.507 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 -0.941 2.112 -5.369 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 -4.322 -3.228 -4.520 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 1.163 -5.110 -1.827 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 3.948 4.470 -5.333 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 -11.002 -9.549 2.088 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 14.419 -5.368 10.921 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 3.276 5.270 -0.271 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 27.542 16.914 2.434 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 2.984 -16.719 -16.435 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 -7.868 4.220 -2.851 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 -17.844 16.387 -3.325 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 6.280 15.401 0.175 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 -3.765 0.183 0.123 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 3.612 -5.541 -2.288 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 -3.080 6.538 -7.452 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 -1.503 -4.243 -1.414 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 7.195 0.256 -10.353 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 19.205 -4.456 0.966 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 -5.873 -10.894 3.004 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 11.008 -15.176 -10.543 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 -39.739 -13.184 9.587 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 -0.299 -0.461 0.883 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 -10.376 -10.856 -12.438 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 16.764 -7.466 17.651 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 -0.255 3.569 2.223 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 -8.508 16.186 -35.923 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 6.062 7.823 -23.278 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 4.361 -7.140 -2.510 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 -14.211 -9.554 18.448 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 3.796 9.383 5.016 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 -1.695 2.718 -1.220 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 20.087 -7.564 8.094 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 0.454 30.663 6.533 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 -3.036 0.107 -1.329 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 -12.134 -36.640 8.410 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 9.048 22.386 -17.599 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 -1.894 -0.084 2.665 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 -1.033 3.057 5.149 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 -1.880 2.159 -4.077 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 1.373 0.598 3.623 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 13.463 -4.300 8.279 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 5.333 -9.194 10.130 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 3.480 1.786 -1.205 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 5.785 7.207 4.786 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 -3.297 4.864 -6.710 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 -2.823 1.652 1.114 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 -8.430 -6.844 -1.476 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 -11.068 12.638 12.925 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 9.183 0.307 2.064 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 8.623 3.803 8.694 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 1.198 3.889 -10.272 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 -6.954 1.327 -0.722 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 -1.424 1.339 8.597 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 4.195 6.768 13.790 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 -2.398 -3.004 7.637 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 2.284 -13.639 13.938 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 4.499 3.838 0.110 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 0.231 0.527 6.297 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 -9.710 4.009 4.146 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 7.708 6.116 13.620 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 -0.577 -0.666 2.530 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 7.577 -5.709 3.083 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 -2.727 22.582 -11.979 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 -0.884 5.008 1.261 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 10.807 -4.636 9.037 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 -11.296 16.661 -17.800 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 -5.961 3.540 1.510 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 -18.550 -6.870 12.365 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 5.672 -3.463 -13.691 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 -4.874 5.028 -7.385 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 -4.397 7.786 -2.178 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 -14.541 4.174 5.625 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 -0.568 0.599 -4.545 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 -4.416 4.112 -17.011 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 5.760 -3.841 3.252 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 -0.492 -0.534 4.366 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 11.863 5.490 9.152 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 -5.134 0.187 28.134 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 0.177 10.409 4.833 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 -3.900 10.677 -2.485 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 7.103 19.612 9.126 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 -6.130 0.145 2.839 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 3.263 -15.636 7.394 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 -1.100 3.551 17.190 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 4.003 2.715 -5.914 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 3.153 2.814 -5.608 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 5.637 0.202 9.855 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 3.433 0.464 -5.426 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 9.205 1.061 -1.727 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 7.098 1.679 -6.013 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 -2.942 2.316 -3.362 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 9.025 -6.981 1.531 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 2.430 -2.251 -8.389 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 0.971 -0.747 1.611 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 -4.167 -10.283 -6.987 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 -1.911 0.763 -3.281 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 -4.679 0.156 -2.854 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 -15.775 -9.952 1.832 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 10.343 0.279 7.759 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 -7.648 -1.147 5.783 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 -9.643 -0.664 8.117 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 -14.752 0.327 11.821 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 1.899 -2.574 -1.666 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 -12.593 -2.994 10.731 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 11.066 -14.917 15.872 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 1.441 -1.601 6.519 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 -3.694 1.219 4.504 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 -9.637 5.831 1.170 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 1.732 -1.518 0.840 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 -10.505 1.498 7.373 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 -1.899 4.344 -20.327 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 5.079 2.162 -2.187 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 -17.117 6.625 -12.774 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 5.822 -6.705 -6.110 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 -3.972 3.459 -0.633 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 11.538 -5.798 8.183 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 -20.921 -20.779 -15.348 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 0.991 -3.789 -2.431 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 16.535 -1.026 -4.324 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 -4.561 -5.534 -18.291 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 1.490 1.221 3.382 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 17.602 1.960 5.419 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 -1.943 3.345 -13.430 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 -0.828 -2.609 1.259 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 3.432 -1.527 8.193 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 -2.759 -1.425 -3.991 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 0.671 -1.738 -5.867 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 5.969 5.839 2.981 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 -7.401 15.144 18.851 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 4.047 -1.716 5.951 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 1.584 8.176 5.741 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 13.347 -13.938 -14.035 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 -5.130 -1.549 1.418 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 -12.900 -7.317 -13.624 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 16.281 4.260 4.968 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 -1.980 2.367 -0.380 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 16.590 -6.217 0.394 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 -0.003 13.519 9.391 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 -0.330 -0.635 0.754 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 -4.451 -7.852 0.806 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 -11.059 -22.620 1.692 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 -1.495 10.589 8.005 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 -1.695 11.778 12.890 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 3.603 2.711 -8.803 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 2.604 1.276 -0.806 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 19.007 -0.524 14.369 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 -15.373 -4.297 -0.825 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 -1.269 -0.409 3.187 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 -3.897 8.742 11.703 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 -5.819 -10.910 2.010 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 5.255 0.716 5.853 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 20.737 -36.466 -14.735 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 5.563 -4.841 -3.226 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 -2.634 1.027 3.466 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 21.647 -8.093 7.121 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 8.601 -2.784 4.608 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 5.566 -2.446 -3.574 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 -9.310 1.165 -5.954 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 -11.357 11.783 -23.966 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 -1.883 1.866 0.305 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 10.128 8.559 -1.135 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 -2.272 1.372 2.149 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 1.365 2.367 5.830 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 -17.152 7.860 4.660 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 -1.098 2.540 -9.919 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 1.376 1.571 0.006 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 -1.467 -13.642 -3.284 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 -10.525 7.130 8.086 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 1.535 1.631 -4.543 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 6.707 0.310 -7.440 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 -2.795 7.150 -10.834 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 0.565 1.608 -5.789 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 -2.643 -5.337 -13.836 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 5.187 -2.406 3.737 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 -1.234 -7.643 5.535 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 0.590 1.707 10.349 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 -6.077 6.450 1.025 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 -3.505 -3.809 -0.326 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 9.304 -10.254 -0.645 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 2.254 -17.095 -7.923 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 -0.784 -0.911 2.707 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 4.790 -6.561 -6.262 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 -0.596 -3.628 8.319 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 1.570 4.935 1.466 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 13.069 -1.866 -18.463 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 -9.515 10.688 6.504 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 -0.684 -2.169 -2.703 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 -4.350 5.402 8.487 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 11.527 -19.549 -19.010 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 -3.267 5.317 -5.318 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 -8.610 3.209 -1.774 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 4.948 8.207 -7.129 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 -7.816 2.256 -7.377 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 -8.472 -2.173 -14.424 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 5.685 -12.573 -28.640 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 3.241 -2.242 3.962 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 1.637 -13.569 11.793 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 4.838 1.466 0.508 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 1.835 -6.113 -0.964 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 18.530 0.194 -4.679 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 -0.925 -10.925 -7.416 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 5.261 -4.792 3.847 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 13.687 17.415 19.134 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 -3.948 -23.569 -16.329 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 0.976 2.285 -0.102 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 20.661 -7.321 4.488 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 1.711 15.572 20.314 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 -2.027 2.641 -1.120 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 14.273 3.366 2.184 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 -3.150 12.382 -14.799 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 6.306 0.220 -1.948 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 22.260 10.721 -3.485 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 -1.417 22.012 -9.305 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 -2.853 -5.595 -5.162 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 -0.725 7.670 12.361 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 5.201 12.658 9.912 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 -1.913 -6.045 -9.133 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 4.597 6.291 -3.288 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 -9.785 -26.059 -13.678 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 -7.457 -2.408 -6.760 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 -1.768 -4.531 -5.410 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 3.640 8.473 20.720 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 0.627 5.297 2.166 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 -2.477 -2.981 1.472 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 12.969 13.204 -7.248 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 -0.008 -5.658 2.889 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 7.318 -3.768 2.114 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 -17.604 7.834 -2.750 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 2.465 7.681 1.324 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 1.384 8.366 12.358 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 3.578 17.588 0.008 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 3.963 -2.039 7.874 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 12.601 1.227 6.127 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 2.681 -8.755 15.618 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 1.530 -5.704 3.302 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 -7.575 11.323 0.670 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 10.878 -14.748 7.166 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 10.454 -8.619 -7.434 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 5.654 -18.338 1.854 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 -14.139 -15.566 13.250 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 2.261 -3.010 1.751 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 -17.026 9.529 -9.702 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 -3.168 -5.097 27.430 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 1.331 0.125 2.677 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 -28.830 -11.863 -0.391 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 10.891 -2.666 -6.823 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 6.158 5.773 -2.413 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 14.692 -7.559 3.344 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 3.479 8.550 -3.188 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 -0.936 6.613 4.060 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 0.280 6.607 10.760 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 6.499 7.318 -0.899 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 3.123 1.176 3.025 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 -0.760 3.710 -5.086 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 11.242 3.777 -4.564 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 1.820 2.448 4.959 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 -0.020 -1.738 -12.284 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 -15.341 20.403 -0.298 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 -0.419 -4.504 -7.378 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 19.041 2.504 -26.341 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 -22.789 -7.674 -19.775 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 -2.811 -0.578 -1.006 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 12.132 -12.203 -24.186 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 -8.238 -12.240 -9.553 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 -4.797 4.199 3.537 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 -6.273 3.473 4.110 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 -14.587 -3.672 8.419 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 0.134 1.596 2.644 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 -14.940 5.575 11.637 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 -24.694 5.531 16.008 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 -4.677 0.037 2.115 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 -23.532 -7.405 -6.012 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 17.316 5.460 12.863 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 7.961 6.276 1.176 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 6.047 12.004 1.139 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 14.825 1.089 -4.058 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 7.773 1.500 -5.676 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 0.037 6.464 -0.926 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 -2.114 -18.276 -17.917 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 -0.192 2.749 5.911 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 -6.045 -18.601 -2.183 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 -0.385 11.897 1.401 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 -0.087 1.351 0.431 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 -4.929 25.624 20.440 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 -10.284 26.542 -24.253 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 -4.200 6.529 0.990 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 6.258 0.590 -13.768 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 2.496 6.451 14.697 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 -3.025 -0.771 -3.911 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 5.403 -0.684 -29.466 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 -10.679 6.410 8.867 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 -3.547 0.501 2.520 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 -1.487 1.351 20.290 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 14.293 7.503 -3.884 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 -3.183 -5.043 1.363 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 -2.770 -20.795 13.478 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 -12.752 -11.415 -14.434 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 -5.471 1.852 9.036 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 -0.382 -0.189 8.507 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 -2.528 9.261 -0.479 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 -6.845 -6.030 -0.713 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 9.141 0.872 -13.437 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 -6.751 -24.808 -0.000 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 3.190 0.009 2.395 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 -5.578 27.594 10.699 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 3.331 25.796 16.486 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 4.473 -1.171 -0.199 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 9.696 11.233 7.377 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 9.516 -1.120 -2.085 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 3.521 0.997 -0.479 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 -14.776 23.658 11.249 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 -2.223 -3.972 12.310 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 -1.637 -0.722 -2.533 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 9.226 4.465 39.601 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 -6.252 10.274 2.173 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 5.175 2.192 -8.232 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 -2.332 11.999 -11.076 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 -15.241 -27.302 -17.666 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 7.970 3.893 1.959 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 -16.804 8.606 -2.117 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 -14.052 9.744 7.402 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 4.333 -5.383 0.562 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 5.998 -4.628 0.124 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 -8.394 -13.979 18.810 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 -1.886 1.351 0.552 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 -18.056 1.100 7.650 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 -6.337 18.334 -2.627 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 -0.095 -6.758 2.744 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 -9.372 0.501 9.201 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 1.204 -5.854 13.917 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 1.789 -3.655 -2.741 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 13.167 11.497 -3.503 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 -10.054 1.291 9.672 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 -1.258 2.019 -4.412 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 1.732 3.360 4.936 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 -8.017 10.866 -15.145 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 -0.149 -4.994 1.573 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 1.588 -3.024 -0.638 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 14.698 -15.459 13.429 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 6.343 4.008 -1.830 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 3.019 30.728 10.880 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 32.446 12.564 -11.109 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 3.756 2.204 -2.708 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 7.578 -4.199 -12.570 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 32.224 12.690 30.611 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 0.252 6.423 0.946 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 -3.470 23.822 7.678 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 15.187 2.599 -5.231 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 2.443 0.509 -1.347 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 2.710 6.693 -19.222 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 3.225 -8.107 -14.508 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 2.991 6.941 -0.374 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 23.856 -9.313 -20.632 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 -7.771 15.139 -12.439 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 -1.015 1.467 -2.683 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 -3.511 -0.350 -37.429 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 -1.462 -3.219 -15.453 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 3.373 0.929 -5.691 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 5.652 5.651 0.494 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 1.834 -2.123 -12.228 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 0.800 -0.798 2.446 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 -1.541 12.008 -5.447 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 -8.476 -13.909 -1.530 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 -3.135 4.246 -4.520 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 -7.275 -19.444 6.959 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 -17.159 19.270 1.116 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 1.155 0.689 5.021 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 14.168 33.323 -13.806 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 -11.627 -25.938 6.329 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 -0.694 -1.551 12.197 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 -8.227 -10.063 5.570 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 -18.490 -6.676 2.087 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 4.796 1.442 3.371 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 12.253 5.596 -32.807 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 -19.101 -18.763 11.756 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 2.007 0.788 0.505 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 6.033 0.311 -4.169 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 -1.783 4.154 4.950 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 4.737 2.255 -0.846 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 0.974 -1.691 -12.524 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 3.878 2.477 -20.553 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 -4.140 -1.285 -5.489 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 3.622 -8.408 6.552 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 -9.193 3.325 -23.562 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 0.428 5.023 2.547 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 -9.648 -3.037 -7.603 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 15.646 -7.773 -5.190 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 0.391 0.774 -0.726 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 24.611 16.273 -3.393 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 -8.751 0.777 13.007 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 0.241 -1.323 1.474 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 6.346 15.156 5.569 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 -1.325 -10.675 -8.052 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 10.729 -0.871 -0.580 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 9.252 -0.507 6.790 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 5.923 0.403 3.928 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 -1.071 -3.181 2.273 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 2.214 -2.847 -1.432 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 -1.408 -12.831 26.886 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 -3.185 -4.592 3.874 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 6.222 -5.824 9.130 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 2.538 -5.538 -6.501 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 3.499 -1.043 4.790 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 -2.293 -1.734 -4.606 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 4.472 -1.684 4.925 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 -7.170 -5.635 -4.498 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 -6.415 -9.537 -11.619 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 -8.192 3.812 1.360 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 1.179 -4.178 -4.636 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 -8.470 -12.890 -17.323 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 -4.964 -8.165 11.925 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 1.845 2.433 -0.031 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 8.612 -16.751 -2.321 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 4.702 0.259 -3.854 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 -0.538 0.751 0.779 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 -9.437 -24.280 -5.902 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 -13.661 1.551 13.990 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 0.494 3.310 3.442 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 -2.669 -9.636 11.732 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 -12.746 -3.056 -27.585 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 3.643 1.154 -3.380 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 8.223 0.125 -23.364 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 4.597 7.440 17.363 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 -2.876 -0.860 -2.159 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 -2.370 16.935 -18.915 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 -5.163 -21.533 -16.982 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 1.344 -4.731 -0.152 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 -15.080 -14.863 -13.389 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 -12.994 4.479 17.390 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 1.462 -5.835 -4.634 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 -4.335 -6.291 -5.043 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 13.172 3.982 -12.740 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 -3.562 3.713 -1.430 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 -1.096 10.328 2.658 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 -10.011 3.608 -4.791 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 -4.203 -2.853 -2.797 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 -25.152 -9.255 -10.247 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 8.460 -21.473 -5.055 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 -4.609 -5.647 4.283 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 7.072 -11.077 -4.153 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 -19.798 -20.532 2.814 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 3.388 0.386 0.941 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 -4.616 6.333 3.855 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 8.163 -2.962 9.498 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 0.919 -6.742 -1.335 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 24.162 -22.432 -17.424 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 4.739 -25.318 -0.534 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 -1.331 -0.206 -0.933 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 5.415 -6.658 -5.550 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 -4.096 -8.685 7.136 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 11.057 1.519 4.726 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 13.766 -1.269 7.596 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 11.057 20.420 -5.564 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 -2.602 1.994 0.069 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 -4.689 3.191 -1.754 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 -6.120 4.414 -3.443 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 3.731 -2.871 -6.275 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 7.436 20.067 -19.333 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 7.622 7.811 -12.667 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 6.530 -1.173 4.354 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 5.091 23.598 -2.114 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 1.098 -14.289 6.214 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 -9.732 -5.829 1.072 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 29.246 7.080 -14.765 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 12.278 1.294 -14.971 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 -4.614 -1.860 3.160 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 -5.371 -8.261 2.193 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 -11.525 2.377 24.065 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 3.207 1.233 0.696 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 -6.769 2.723 5.612 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 0.586 1.769 1.923 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 -3.619 4.549 4.218 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 -4.064 0.298 5.315 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 3.857 33.392 -10.907 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 2.586 -6.566 -2.953 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 -1.342 1.918 -21.787 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 21.110 -7.517 -16.855 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 -7.077 0.275 1.345 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 0.944 -10.219 19.110 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 4.619 -4.454 -0.479 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 1.118 -0.510 -4.643 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 -15.460 -20.185 6.868 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 -8.460 22.723 0.726 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 -0.528 0.970 -0.775 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 17.361 12.488 -5.347 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 -13.750 -11.925 4.672 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 -2.905 -0.378 -1.679 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 0.454 -1.168 9.390 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 1.659 -0.074 10.537 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 -4.251 3.926 -0.314 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 -18.171 22.603 20.763 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 0.284 0.837 -6.341 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 -1.362 2.652 -2.728 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 -23.258 -7.207 9.208 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 -0.812 2.948 -5.747 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 1.325 -4.556 -6.469 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 4.727 -4.623 -5.584 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 8.963 -3.772 0.049 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 2.546 -2.309 -4.954 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 -13.795 3.932 -8.510 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 -6.320 17.865 -10.303 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 7.195 -5.761 -8.036 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 17.717 -3.983 -12.012 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 3.408 -4.336 -7.141 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 7.703 -4.560 4.883 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 0.216 -9.947 -2.389 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 12.254 6.259 -1.327 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 0.902 -5.346 -1.739 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 -12.627 12.186 1.547 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 -9.354 -26.921 -9.052 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 6.103 -8.150 5.476 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 -15.071 -5.700 -10.644 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 -6.867 -8.109 -3.605 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 -0.613 6.099 -2.656 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 2.612 21.936 -3.505 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 -14.631 12.945 -4.501 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 5.071 -7.754 -4.111 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 7.929 -3.928 0.446 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 2.537 18.452 -4.594 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 -6.200 3.867 -1.919 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 18.505 -3.872 -17.647 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 14.733 -1.665 -11.453 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 -4.920 -3.178 -3.599 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 -15.904 -10.903 -9.143 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 8.413 0.895 4.007 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 -2.973 -7.729 0.159 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 -8.619 10.923 9.894 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 0.257 -16.269 -9.018 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 -5.811 1.151 5.599 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 12.238 -1.198 -12.903 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 -13.647 1.870 8.531 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 -7.692 -0.360 3.868 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 -12.660 -27.375 2.029 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 -22.798 -7.773 -6.314 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 -5.003 5.128 -3.590 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 -6.195 31.159 0.419 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 -12.578 -5.368 5.650 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 -4.051 -3.792 8.344 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 9.933 -7.973 6.327 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 -24.009 -17.415 -15.441 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 -6.312 3.746 -4.288 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 9.419 2.481 -14.723 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 4.600 8.006 -12.764 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 0.025 10.458 -8.386 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 12.912 11.190 12.092 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 -14.220 -12.239 26.548 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 1.597 0.674 1.730 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 -8.803 -13.655 10.122 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 8.485 3.126 9.541 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 5.480 4.256 2.544 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 -6.681 28.242 3.583 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 2.951 2.274 21.926 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 -0.230 0.881 2.176 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 3.717 12.612 -1.266 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 6.298 -3.382 6.637 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 4.963 1.372 2.169 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 -3.361 -15.400 -8.218 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 -2.700 -14.550 -4.157 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 -2.095 -2.888 5.610 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 8.678 -9.579 -0.958 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 19.228 -10.388 2.852 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 3.282 5.344 6.900 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 -18.644 22.205 -5.126 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 -14.769 -20.191 14.071 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 -3.613 -2.847 2.886 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 10.397 -4.483 3.197 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 -28.741 3.207 6.970 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 -2.725 -5.112 -6.728 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 4.360 12.195 -4.876 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 24.776 13.596 2.361 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 -8.939 5.751 1.480 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 -8.258 -0.518 3.568 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 -5.188 -8.223 -5.494 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 4.338 2.665 0.681 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 -19.377 23.063 11.381 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 -6.512 7.312 4.028 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 1.441 -3.657 -4.402 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 11.814 -16.435 6.872 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 -14.243 8.464 10.653 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 -4.259 8.776 -5.269 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 10.965 19.097 -1.888 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 -10.699 19.005 41.542 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 -1.199 2.957 -2.476 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 1.145 -21.041 -22.150 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 -4.282 -28.904 -21.576 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 4.067 -2.517 -0.284 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 -1.494 -13.926 7.459 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 0.599 -12.789 -11.776 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 8.393 5.403 -1.072 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 24.047 5.881 -4.591 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 0.442 8.187 0.629 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 -0.486 0.422 4.201 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 5.038 -10.977 4.276 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 -1.181 1.860 4.401 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 -4.036 -2.217 1.719 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 -16.664 13.587 -7.634 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 2.511 -13.235 -5.775 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 1.500 1.108 -0.507 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 -0.322 6.396 -18.091 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 3.803 -27.768 -7.832 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 4.527 0.224 -2.353 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 5.380 3.867 -3.374 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 6.212 11.763 -4.470 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 0.656 1.321 0.872 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 -3.791 -6.708 -2.235 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 1.649 14.467 8.439 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 1.789 3.374 6.150 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 3.785 10.639 -1.180 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 1.565 -0.713 -6.002 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 5.532 5.109 -7.001 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 19.650 15.124 -12.484 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 -6.621 -0.474 6.029 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 -3.021 1.699 2.886 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 -11.891 -7.810 -0.410 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 -3.643 -0.044 -7.630 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 -1.323 -2.561 1.483 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 -6.511 5.164 -2.300 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 -3.323 6.577 -2.655 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 0.724 1.509 1.336 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 -5.602 11.349 -25.852 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 13.118 -24.752 -3.281 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 -7.185 -1.049 6.264 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 -12.808 -1.596 4.000 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 -10.605 5.284 9.190 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 4.046 -2.304 -1.795 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 14.310 -0.804 -10.700 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 4.491 -2.512 2.954 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 4.711 2.380 -1.056 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 7.370 4.932 12.724 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 -12.934 -7.602 -7.697 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 -0.395 1.746 2.483 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 19.585 -0.462 5.626 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 -30.390 -14.375 -12.870 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 1.657 0.965 1.406 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 2.113 3.298 -0.714 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 -5.393 12.747 2.139 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 -2.587 4.025 -1.554 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 -10.538 -6.244 -3.448 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 -0.097 7.743 -15.846 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 -1.276 0.920 -3.557 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 1.230 0.391 -4.314 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 21.592 -1.095 -10.395 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 4.431 4.116 5.311 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 1.643 -3.789 -9.647 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 3.404 3.637 3.898 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 -6.682 2.806 0.023 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 -1.213 10.896 -21.954 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 -1.129 -24.269 -4.651 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 -4.990 -5.692 -3.994 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 -3.038 -1.313 -7.664 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 -8.124 -19.319 6.975 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 1.446 -1.067 -5.217 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 -5.290 -31.064 12.786 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 -37.949 -16.660 13.971 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 -1.680 6.083 1.101 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 -5.427 -1.704 -3.719 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 -15.580 -2.934 0.997 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 0.396 -1.212 -4.977 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 -5.954 8.978 15.111 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 15.232 -17.871 1.950 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 1.726 0.530 0.551 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 11.867 21.025 8.388 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 20.141 -14.627 -4.795 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 -0.109 -1.939 2.422 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 1.532 -0.879 -8.713 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 -12.957 -2.643 5.379 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 -1.216 0.476 4.160 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 10.782 -0.185 -9.987 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 5.352 8.070 21.709 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 -0.079 -4.645 -0.248 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 -3.639 -5.741 -1.405 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 -1.803 -5.824 -3.378 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 -4.159 2.683 3.882 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 -6.861 -4.519 10.825 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 8.781 5.432 0.614 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 7.132 4.699 -8.382 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 4.568 2.897 -9.107 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 2.234 -13.392 9.145 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 8.625 -5.034 -7.111 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 -21.755 9.114 -30.486 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 -1.506 -20.028 -11.703 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 0.267 -1.783 4.436 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 2.672 -3.007 16.445 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 -0.592 -2.058 3.601 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 2.754 0.749 3.224 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 15.871 -0.733 2.851 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 -13.128 6.601 -9.798 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 -2.130 -4.607 0.663 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 -2.207 16.045 29.031 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 -12.199 -23.030 8.304 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 6.685 -2.324 -3.515 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 -8.691 -2.141 9.258 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 -9.815 4.317 5.886 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 4.606 2.197 -0.876 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 11.610 -7.679 -4.657 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 22.551 20.816 -6.487 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 3.021 2.886 0.088 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 -15.016 -8.713 1.631 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 7.351 15.923 16.254 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 -0.838 0.418 -0.016 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 -0.471 -17.859 -0.907 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 2.173 -4.883 1.595 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 -0.375 1.353 3.235 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 -2.444 15.056 -22.361 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 0.612 6.545 -10.482 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 1.405 -3.883 2.243 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 18.948 -5.972 10.318 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 -2.560 -17.541 16.939 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 2.302 0.682 -4.727 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 7.370 7.961 6.859 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 17.348 -3.294 -11.895 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 4.369 3.006 -1.036 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 34.026 -11.853 -10.577 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 -10.463 -1.324 4.892 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 -1.117 0.404 0.965 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 -16.346 -16.316 5.026 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 0.340 3.135 18.202 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 -4.216 1.521 0.401 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 -10.519 -6.978 -1.283 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 10.621 16.362 6.988 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 0.349 7.107 2.828 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 2.617 27.856 7.880 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 -21.203 5.705 -11.690 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 -1.461 2.024 3.882 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 4.175 1.354 7.041 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 11.893 -1.992 9.023 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 -1.757 0.017 -0.277 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 -6.999 15.132 -12.065 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 2.561 15.005 20.305 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 2.885 -3.245 0.542 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 4.562 -6.330 7.095 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 7.076 -4.316 -1.801 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 3.959 -3.069 0.693 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 -0.680 6.466 0.775 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 3.194 -11.001 -0.846 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 2.923 -5.768 -4.909 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 13.663 -15.652 -2.906 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 -2.422 -11.411 -0.079 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 -4.501 -2.797 -4.065 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 7.030 -18.728 1.762 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 -7.822 -3.220 -26.657 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 3.568 -0.502 1.676 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 10.692 8.187 12.419 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 -3.401 -3.640 -8.341 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 -3.930 2.302 4.741 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 2.758 -17.599 -1.051 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 0.592 15.091 -14.945 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 1.188 -1.823 -3.356 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 -5.291 -3.732 9.950 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 -1.715 -4.822 -2.567 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 -5.624 -1.795 3.190 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 -4.619 -3.958 -6.729 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 0.640 -4.333 5.546 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 3.471 1.989 2.313 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 -10.656 1.159 -0.078 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 3.263 -13.805 4.218 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 -5.287 2.157 5.478 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 -5.202 6.851 -2.618 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 -10.747 17.115 -1.124 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 -6.918 -0.445 0.716 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 -3.385 2.851 -13.576 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 -2.838 13.935 -0.188 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 -2.594 -2.324 -5.323 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 -12.766 -2.739 7.826 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 -9.403 -1.247 4.152 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 3.101 3.232 -1.826 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 16.543 3.247 10.609 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 -3.415 -13.552 -7.124 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 2.460 -0.340 -2.420 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 17.865 -14.431 19.050 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 -29.319 -7.535 -0.048 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 2.347 -5.148 3.289 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 7.439 -12.323 -0.329 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 -0.974 30.600 -14.494 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 -3.115 -0.568 0.949 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 -4.982 -3.147 10.406 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 0.022 3.496 -13.064 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 -1.765 -1.328 -4.812 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 -1.735 0.342 7.804 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 -7.429 -8.830 30.247 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 -1.192 1.053 0.563 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 -13.036 2.715 6.233 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 3.095 -7.789 -8.753 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 6.287 -0.934 4.999 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 21.155 4.064 -0.543 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 -8.243 12.296 1.830 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 -4.571 -0.647 -0.815 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 -29.006 -17.776 -14.961 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 11.895 10.216 5.740 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 -0.862 2.113 -2.158 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 -3.766 -2.239 -3.027 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 -20.730 -15.112 -8.184 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 1.064 -4.195 -1.261 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 5.605 35.875 0.236 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 6.599 8.645 4.060 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 5.612 -0.881 3.765 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 -12.732 -33.263 1.762 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 -6.944 1.490 6.305 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 7.176 4.394 3.736 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 -16.525 8.957 8.650 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 12.369 -4.267 4.616 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 0.114 0.597 5.491 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 5.134 -5.779 7.565 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 -5.405 -4.278 -3.344 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 -3.935 2.851 1.301 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 -0.642 8.379 5.103 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 -3.625 -3.216 -7.305 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 -2.721 10.723 -1.466 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 15.906 -4.453 13.113 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 17.824 5.830 11.913 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 -2.045 2.072 -2.439 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 -17.769 -13.260 -5.866 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 0.965 -0.976 -18.459 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 -5.113 3.648 -4.786 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 -6.588 17.260 -15.925 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 -10.686 -4.966 10.807 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 -6.245 -1.807 -4.484 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 8.391 -7.646 14.225 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 4.611 -2.813 -8.277 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 -3.145 0.293 -1.147 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 -29.175 -8.119 40.279 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 1.320 6.458 -22.703 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 -4.594 3.180 3.187 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 10.311 -1.139 8.167 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 -18.166 7.423 -0.801 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 3.495 3.657 -0.658 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 2.009 0.538 4.903 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 -5.142 2.351 -12.867 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 0.782 1.000 -1.066 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 1.987 -15.437 -14.568 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 28.316 -23.616 -11.193 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 -3.380 2.547 0.642 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 -8.914 5.020 -5.347 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 -16.391 -5.375 -4.967 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 -1.845 9.448 0.599 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 9.306 -8.159 4.646 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 -1.291 -19.782 4.391 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 -4.311 2.537 -1.383 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 -11.652 5.172 7.453 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 -19.032 9.976 26.763 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 -0.028 0.902 1.965 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 -2.465 -2.772 11.465 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 -15.212 -22.068 27.924 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 -1.755 -1.935 0.725 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 -11.051 18.716 1.335 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 -7.943 -14.973 6.713 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 -2.451 -5.806 3.961 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 1.023 -1.441 -32.209 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 16.253 5.796 14.641 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 -1.736 2.862 7.722 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 3.956 6.519 11.578 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 0.504 2.670 9.534 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 -1.033 6.288 2.134 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 -10.318 -18.130 -11.275 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 -12.134 14.705 -3.395 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 0.692 5.527 -6.749 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 -5.076 8.332 -17.752 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 9.593 -0.506 -0.198 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 -6.113 -3.540 -1.859 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 -22.240 14.591 -0.048 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 6.353 -6.041 -14.213 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 -0.369 -0.126 -3.747 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 11.888 13.945 -14.585 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 0.956 9.471 15.259 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 -1.373 -1.547 3.019 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 -9.324 -5.589 5.214 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 -9.656 -2.353 0.464 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 -7.231 4.224 -1.108 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 -6.018 -0.004 6.811 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 1.406 -0.539 13.276 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 -2.207 1.373 4.948 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 -5.260 8.975 17.972 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 9.399 -3.713 -13.018 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 4.594 -1.603 -0.759 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 3.583 -13.947 -22.096 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 0.667 -6.190 19.244 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 -0.644 -1.930 0.527 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 -7.035 2.298 4.010 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 -38.867 0.257 -20.771 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 0.324 4.875 4.086 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 5.092 -15.522 -0.909 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 -8.562 23.626 9.783 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 5.301 5.828 8.122 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 11.463 13.178 -20.560 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 12.853 5.245 0.138 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 -3.269 -2.585 7.587 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 -6.457 -2.611 15.637 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 1.080 -11.206 5.482 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 4.414 1.311 -4.840 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 -0.714 6.275 -20.739 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 -1.367 0.601 16.776 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 1.619 -1.402 -3.896 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 1.189 -2.301 2.392 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 8.575 -12.564 -2.716 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 2.034 3.730 3.443 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 -3.301 4.178 7.865 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 -1.502 -9.355 16.015 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 2.578 3.176 2.104 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 15.187 17.401 -7.046 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 5.674 3.711 12.338 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 1.010 -0.591 -0.896 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 -16.949 8.377 24.079 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 27.351 11.753 5.599 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 -3.858 -0.827 -4.209 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 -6.640 12.214 -7.931 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 3.124 -9.687 -3.810 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 3.693 4.629 -5.946 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 -17.094 -12.234 -12.245 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 17.979 -0.720 -29.770 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 3.647 -5.999 -3.618 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 1.822 -0.640 -1.255 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 5.235 -7.923 -10.569 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 0.554 1.820 -0.231 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 -20.491 -2.123 -3.342 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 3.963 7.445 -4.219 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 -2.318 3.830 2.403 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 -5.830 -29.608 8.668 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 -6.779 21.697 31.730 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 2.683 -4.721 -5.334 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 2.462 13.403 -10.971 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 12.861 34.894 -4.320 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 2.039 2.339 -1.797 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 4.259 -3.516 4.964 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 1.342 -1.974 -1.147 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 0.271 3.714 6.403 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 2.157 -9.779 -12.490 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 5.877 -14.404 30.536 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 2.374 -3.801 1.486 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 -17.302 -1.309 8.121 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 1.752 9.374 5.311 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 -3.977 5.754 3.166 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 -5.985 4.189 -0.535 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 -6.194 13.310 -4.352 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 7.558 -2.219 3.275 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 -10.134 20.191 15.118 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 20.891 -23.205 4.389 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 3.217 6.200 -0.281 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 0.588 4.582 5.761 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 7.935 4.096 -1.726 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 2.490 0.180 -1.002 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 4.940 0.509 -4.849 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 -4.799 -1.045 5.777 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 1.904 1.398 4.643 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 6.804 -14.216 8.127 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 12.575 17.391 9.428 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 1.012 0.770 -2.902 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 12.971 6.813 5.710 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 -5.181 9.071 -11.092 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 -0.855 -6.019 0.002 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 10.721 -28.894 4.037 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 -4.957 -10.384 6.035 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 -1.702 0.841 3.458 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 4.904 12.077 -4.631 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 -12.298 -10.414 -3.303 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 1.385 0.775 -8.567 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 -11.438 -6.324 -13.332 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 -0.630 -2.997 -4.015 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 0.368 4.037 4.662 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 0.527 1.577 -3.965 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 19.107 0.520 5.143 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 -10.598 -3.536 0.974 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 8.025 -14.423 20.633 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 2.869 18.509 -9.779 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 -0.584 -1.613 3.072 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 -7.580 -2.092 5.516 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 -2.519 7.821 19.283 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 -0.741 4.043 5.764 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 1.148 14.287 18.381 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 -7.337 14.229 -1.917 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 1.374 1.748 -0.453 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 -0.819 -1.541 4.761 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 9.961 4.152 -22.416 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 -0.456 1.163 -1.188 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 10.959 -10.908 -2.207 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 -1.512 3.682 14.018 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 -2.247 -1.223 -1.852 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 -4.529 -21.019 10.316 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 14.446 -1.125 8.131 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 2.709 -4.708 3.783 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 -9.312 -4.405 -8.885 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 -0.497 1.971 16.035 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 2.351 1.905 -0.557 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 -5.681 20.536 -2.397 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 26.803 19.420 5.067 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 0.074 2.775 -1.414 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 -12.522 -16.068 13.579 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 5.060 3.083 -9.040 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 -4.889 -1.886 -1.051 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 27.923 5.648 -15.704 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 -11.239 18.424 -15.711 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 -1.616 2.026 10.045 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 -0.210 10.388 -3.088 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 0.199 4.810 -6.517 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 -1.944 -0.547 -2.091 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 18.723 12.885 5.027 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 -20.224 -6.368 -7.901 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 -0.711 -1.386 2.264 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 -18.785 -5.121 11.968 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 23.664 6.173 22.005 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 -4.931 4.006 -7.278 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 14.020 -13.636 -12.854 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 -13.865 14.216 -25.901 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 3.952 0.812 2.178 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 -18.970 0.179 3.472 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 10.579 -0.655 24.801 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 -2.148 4.910 -4.369 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 -10.285 -18.169 1.667 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 -19.660 -8.425 -9.125 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 -0.319 -7.745 -3.204 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 -30.029 -17.526 8.589 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 20.120 12.822 2.715 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 -2.180 0.235 4.874 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 8.668 12.378 7.365 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 3.915 6.642 18.261 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 0.738 3.340 0.423 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 17.928 -1.338 -1.914 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 3.020 -7.151 0.009 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 -2.985 2.609 10.719 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 10.611 -1.072 3.485 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 -1.704 3.175 14.472 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 1.329 2.670 -2.894 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 -17.316 -7.284 -0.209 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 -8.893 -3.866 -1.168 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 -0.206 -2.708 1.418 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 16.769 6.026 6.759 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 -17.653 -16.587 -12.576 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 -1.228 1.483 -1.710 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 13.875 3.127 -10.065 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 -22.634 1.775 14.842 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 -1.466 -2.468 -5.024 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 -6.911 8.082 -2.325 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 -16.608 -18.380 6.654 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 -5.687 -1.278 -3.117 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 0.573 7.420 -11.317 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 -13.351 -0.783 18.705 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 0.927 5.262 1.402 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 4.047 4.329 -1.680 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 -2.201 4.340 3.924 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 -0.327 -2.674 -3.437 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 17.941 5.858 5.989 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 1.347 -20.057 -0.343 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 4.744 -0.927 -2.392 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 -6.835 -16.798 24.362 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 -7.477 -4.562 7.048 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 1.220 -0.291 1.577 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 4.830 0.205 -6.780 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 -7.392 -14.339 0.488 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 -3.442 6.322 4.039 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 -0.007 2.105 30.621 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 -19.633 -8.346 -1.901 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 -0.959 3.612 -2.309 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 -12.623 11.893 25.459 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 9.072 3.325 -22.037 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 3.302 3.606 -0.448 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 12.176 -1.514 3.029 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 6.577 1.450 -0.360 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 -0.776 7.146 0.411 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 1.839 10.069 -5.571 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 -1.483 20.421 -10.888 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 -0.969 -1.523 -5.238 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 -1.424 -7.396 2.954 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 -10.970 -24.293 19.463 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 0.031 -0.411 5.205 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 11.741 -10.844 6.871 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 -12.153 7.649 -4.104 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 0.482 1.690 0.863 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 9.127 5.528 -11.138 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 -3.733 -10.803 -7.963 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 1.146 -2.914 2.181 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 -9.969 35.465 3.982 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 -8.091 -16.413 4.302 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 -4.877 4.708 -2.099 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 2.862 -9.993 -6.996 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 2.221 10.631 17.447 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 3.068 1.541 0.666 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 4.484 -16.648 8.848 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 2.547 2.400 -4.855 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 7.370 1.811 3.125 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 10.715 -23.810 3.000 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 24.508 -42.343 -8.601 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 1.855 4.069 -4.272 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 14.780 -11.327 -19.419 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 8.175 4.601 -8.884 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 -3.557 0.611 1.512 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 6.666 -7.462 4.048 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 0.354 -18.286 -2.368 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 -5.331 -7.089 -6.580 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 -20.949 10.919 19.498 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 10.418 -5.100 14.004 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 -2.659 -0.961 2.213 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 10.421 -4.459 7.548 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 -12.197 -9.673 11.090 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 -2.760 5.603 3.161 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 -10.949 -3.410 1.793 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 -10.061 -3.043 1.640 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 1.925 3.923 1.101 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 5.222 15.531 15.125 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 -3.241 0.208 -6.198 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 2.357 5.642 -2.598 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 13.248 -3.167 23.570 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 3.677 -10.500 2.701 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 2.184 4.452 -12.555 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 -9.112 -22.578 -7.139 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 6.903 -1.715 -18.385 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 6.606 -0.934 -3.667 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 2.955 -9.665 -9.541 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 -19.149 -8.786 3.299 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 2.325 2.329 0.156 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 11.335 10.296 1.907 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 0.060 -6.673 -4.374 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 1.340 -0.842 -6.450 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 -24.668 5.147 -13.650 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 13.706 -9.995 -15.217 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 0.697 1.413 -3.276 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 -20.720 -27.444 -6.219 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 -5.553 -16.339 -7.060 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 -3.015 -2.086 -6.067 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 -3.609 -3.820 -7.833 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 -6.525 -1.729 -5.149 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 -1.156 3.082 -2.124 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 9.821 -0.646 -2.855 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 -5.434 7.844 -1.477 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 1.695 -4.817 0.238 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 -10.565 10.190 -10.336 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 -24.300 -9.508 -12.318 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 1.526 1.218 -2.904 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 1.598 8.447 -3.420 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 0.492 11.065 -2.472 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 -7.309 -0.167 -1.055 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 -6.413 1.603 7.218 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 -13.961 -6.844 -6.175 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 0.593 -0.529 -4.317 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 9.641 -19.171 -8.173 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 -5.008 24.644 8.457 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 -2.438 4.946 1.571 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 12.800 23.082 7.930 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 13.500 -12.067 -7.133 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 -3.432 0.520 2.591 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 -0.065 0.552 -12.472 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 -13.570 -5.823 -23.020 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 -5.247 -1.639 -5.924 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 3.563 -9.376 17.071 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 0.924 -11.794 -12.719 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 -8.045 -3.880 -1.235 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 3.246 -12.155 31.415 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 -14.926 18.831 -6.878 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 1.748 -0.751 -2.259 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 -2.015 -6.987 -32.379 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 -10.888 -7.636 -3.856 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 -5.343 -2.441 -7.979 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 -24.165 -14.169 11.039 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 -19.849 9.656 -31.132 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 10.472 0.834 2.783 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 -1.600 -4.592 31.432 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 9.425 10.218 -22.084 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 -5.559 -2.363 -4.594 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 -5.733 2.150 8.338 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 3.087 -5.198 11.006 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 -2.344 -0.799 4.329 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 16.170 2.478 7.170 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 -2.705 -14.456 -8.247 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 -7.360 3.527 -3.427 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 -1.593 -10.620 6.684 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 3.854 22.908 -4.633 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 -0.934 4.121 -1.147 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 -15.897 -8.196 -5.360 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 11.545 6.425 5.639 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 -5.611 0.174 5.348 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 -9.484 10.058 2.382 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 1.918 -24.609 24.191 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 1.659 -3.006 0.688 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 9.042 -13.005 -4.621 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 -8.174 14.461 -1.305 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 1.083 -4.367 4.395 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 -6.036 -0.248 2.475 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 -10.360 -28.404 11.568 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 0.862 2.216 -1.437 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 -4.848 14.012 6.493 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 -7.301 25.940 13.665 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 -4.856 3.752 2.043 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 -7.188 -11.679 1.802 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 -20.908 -5.485 -5.436 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 -3.551 -2.806 -2.930 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 3.730 -22.509 -0.218 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 15.430 -10.370 -7.291 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 -5.610 4.328 -1.268 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 -12.946 -2.492 11.066 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 -26.691 1.053 -6.008 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 2.340 -4.093 -5.841 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 -5.423 -24.166 1.790 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 1.384 3.107 -3.178 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 -4.424 2.525 -2.295 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 30.556 18.471 0.618 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 33.860 19.255 -0.378 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 -3.270 -2.801 3.864 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 9.209 1.288 -0.640 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 2.722 2.578 8.565 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 -1.698 4.404 2.972 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 -25.442 7.467 -4.645 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 -3.076 -19.590 14.826 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 5.824 3.531 4.489 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 6.542 21.602 8.209 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 24.922 29.814 -3.474 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 -0.072 -2.882 -0.719 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 10.773 -6.234 -5.461 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 3.042 -7.331 5.398 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 7.462 -5.765 5.418 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 14.121 -4.561 -21.469 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 12.283 6.398 -16.123 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 3.197 2.457 -5.621 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 2.956 0.440 -5.230 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 4.122 -12.139 -4.078 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 -7.795 7.442 0.865 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 -6.346 2.448 -14.642 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 15.225 8.141 -4.155 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 -1.074 -6.435 0.082 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 15.880 17.271 -3.392 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 11.273 -10.756 -14.121 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 -4.073 1.165 4.359 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 -4.493 2.577 2.530 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 -4.472 5.201 0.107 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 -0.924 0.746 -3.371 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 3.858 17.521 17.332 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 -13.500 2.633 11.348 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 5.969 3.844 -2.166 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 -15.194 -38.913 -20.825 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 8.375 14.220 3.818 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 -1.101 0.591 6.188 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 8.450 -12.625 -6.660 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 1.562 -1.191 7.185 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 -0.787 3.736 -6.578 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 -11.384 19.854 11.174 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 -3.619 5.559 -8.484 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 7.082 -1.651 4.946 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 6.599 0.786 7.449 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 3.334 -1.423 7.029 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 -3.173 -2.484 1.408 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 -1.681 6.700 14.885 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 -4.560 5.330 13.454 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 5.543 7.390 3.369 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 28.064 -9.185 6.357 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 -7.689 8.336 -4.196 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 -1.507 -0.554 -5.030 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 -31.679 21.852 10.902 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 20.209 2.495 -24.030 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 -2.495 0.682 -3.931 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 11.068 -1.783 -0.585 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 -11.831 17.504 5.521 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 -0.624 7.959 1.947 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 8.039 1.341 -2.006 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 -9.671 4.836 16.776 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 -2.993 7.035 -1.663 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 -3.530 5.517 -5.621 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 -10.576 10.559 -4.035 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 -2.511 -1.582 0.075 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 3.896 0.186 2.534 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 21.585 48.408 -14.556 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 1.800 3.210 3.559 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 20.090 -3.983 10.991 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 -1.810 2.161 6.768 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 -4.323 1.782 5.925 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 -5.689 11.180 -0.335 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 4.866 -9.672 3.034 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 8.246 -5.093 -2.207 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 11.235 22.509 -12.245 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 -20.581 -6.703 5.770 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 -4.367 -2.961 -0.929 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 3.352 -6.813 -10.171 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 1.524 -4.992 -1.831 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 4.883 -3.566 2.754 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 6.135 -12.487 2.370 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 5.424 10.613 -3.852 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 2.347 -6.394 -1.202 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 4.417 -1.591 -4.391 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 5.037 -5.210 0.256 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 4.971 1.871 -0.440 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 0.209 14.633 -9.009 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 4.301 0.999 -0.514 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 -2.824 -5.169 4.039 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 5.597 -8.241 -16.279 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 15.746 -0.305 16.234 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 -4.714 -1.802 -2.037 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 -3.046 -0.236 -6.304 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 -8.363 1.258 7.867 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 1.224 -0.785 -5.069 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 17.799 -0.921 -7.551 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 -9.798 23.275 -4.274 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 1.298 3.144 -2.564 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 -1.621 5.393 5.786 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 4.944 8.745 7.787 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 0.586 -0.148 -2.511 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 3.502 -7.764 -7.226 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 -8.165 -3.998 -20.555 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 2.129 -0.646 0.826 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 -16.223 10.108 32.020 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 18.427 9.561 -4.336 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 4.379 0.665 -0.665 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 -9.705 -9.651 0.015 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 -1.527 4.199 3.787 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 -4.074 -5.923 2.410 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 -2.403 -1.991 -9.013 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 11.748 -24.726 4.744 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 -0.842 -7.016 5.098 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 -17.683 2.576 15.212 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 -9.345 -1.100 -7.209 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 -1.942 -0.214 -9.039 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 -4.296 0.078 -11.351 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 -4.341 -2.301 -7.973 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 0.741 -3.985 0.305 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 1.098 -5.575 -3.621 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 0.720 0.316 1.724 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 1.716 -0.624 -5.675 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 5.847 17.596 3.841 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 -0.764 15.744 -11.572 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 2.883 0.509 -7.461 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 25.857 1.451 4.108 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 9.032 -5.801 21.707 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 2.951 9.937 4.176 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 -3.019 5.223 -6.672 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 -14.822 -1.722 -19.551 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 2.983 3.513 -9.210 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 10.166 10.019 -0.043 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 14.821 5.305 -18.269 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 3.845 2.796 -0.595 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 3.709 3.128 -1.261 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 2.240 6.315 16.571 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 -5.517 1.661 -8.480 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 16.748 3.544 -11.271 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 -13.995 -9.914 2.198 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 5.322 2.819 -5.913 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 -0.101 34.555 11.100 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 11.434 -30.145 -1.506 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 0.330 4.527 3.440 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 16.561 20.995 -4.185 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 -20.837 -16.854 10.531 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 2.264 -1.876 -8.607 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 35.803 -4.222 13.787 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 -1.358 29.880 -5.900 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 -0.521 -3.547 2.351 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 -16.259 -0.036 8.048 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 2.163 -3.075 -21.620 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 4.940 -5.499 -1.377 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 -18.308 -15.659 -1.336 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 15.559 -18.983 -3.890 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 1.739 -1.648 -0.198 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 -27.085 14.666 -3.935 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 -30.366 9.555 32.011 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 0.934 3.966 -3.308 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 -4.459 -3.242 -11.485 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 4.905 6.288 -5.321 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 -5.487 4.957 2.474 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 -1.577 -10.207 8.307 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 -8.127 -4.647 9.713 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 -0.884 0.529 5.940 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 -12.047 -19.390 0.533 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 -19.565 27.044 -4.290 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 -1.106 4.200 12.723 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 -23.640 -10.143 13.850 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 20.446 -10.543 -0.573 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 1.673 -0.090 1.221 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 -7.426 -8.677 0.972 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 9.065 -4.575 -1.518 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 -4.725 -1.580 -5.345 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 3.558 12.949 -19.887 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 8.719 -20.133 -8.435 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 4.595 -7.166 -0.741 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 4.716 -6.840 7.661 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 8.328 -12.592 5.292 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 2.153 -6.300 5.544 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 -10.091 -14.016 -2.213 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 -17.552 -21.326 -6.619 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 1.066 -3.934 -7.636 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 -7.291 1.883 -9.721 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 8.137 1.751 -13.704 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 3.274 0.248 -4.701 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 16.737 8.585 -4.855 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 -6.843 15.180 1.002 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 0.524 -3.658 6.247 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 -3.718 -5.612 3.374 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 0.770 -3.715 -1.758 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 4.861 -1.047 1.417 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 7.113 23.214 14.373 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 24.382 -2.957 19.143 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 -0.423 -0.247 -0.454 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 -15.412 4.413 5.889 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 -0.454 9.097 13.817 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 3.146 -10.055 1.784 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 11.996 -33.559 28.608 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 1.956 -8.071 -0.763 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 -4.834 5.107 1.191 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 -4.303 5.766 1.504 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 -0.728 13.996 8.408 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 5.183 6.554 7.875 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 0.464 -5.394 -5.434 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 2.269 14.338 10.427 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 -6.473 -1.653 4.852 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 -12.008 9.782 14.090 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 0.277 4.225 2.941 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 4.312 8.045 0.390 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 10.947 11.132 13.738 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 -11.605 11.000 -7.791 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 -6.258 1.031 7.096 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 -28.323 9.238 1.137 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 3.010 -24.857 2.280 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 -5.855 -1.340 -2.079 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 2.311 2.310 -4.212 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 -2.371 2.057 -29.688 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 -1.069 3.387 3.091 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 -2.036 -1.924 5.320 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 3.943 23.990 -2.593 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 -6.516 2.649 3.033 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 3.482 6.427 17.547 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 -12.846 22.748 10.129 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 -3.309 4.444 0.757 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 4.068 7.094 -6.390 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 -1.918 -3.879 -11.110 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 -4.422 4.376 2.229 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 -0.433 6.215 1.518 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 7.079 -10.139 -2.935 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 -2.884 5.859 -1.995 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 -10.307 8.071 -12.259 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 -10.259 -3.413 -4.130 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 -4.671 1.519 2.728 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 -21.458 0.603 -1.272 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 -1.963 -3.307 3.125 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 -1.616 0.938 -1.029 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 -3.306 10.445 -10.011 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 10.549 -3.621 -4.078 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 -4.721 4.025 6.756 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 -5.744 23.630 7.449 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 1.872 -19.422 5.227 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 -5.258 -5.352 -4.567 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 -2.705 -9.813 0.232 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 0.662 -1.570 6.212 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 1.009 -0.326 -0.659 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 11.659 -1.353 4.487 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 27.449 0.483 5.125 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 -10.557 -2.391 -0.125 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 6.664 -6.190 -4.129 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 -10.597 0.929 15.187 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 -3.098 -8.093 -1.757 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 -10.633 3.720 -0.223 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 6.849 -8.643 -9.512 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 0.023 -7.801 -2.825 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 3.688 -10.786 -2.224 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 7.951 3.780 -23.224 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 -0.066 0.690 -0.649 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 -8.349 -20.583 -7.312 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 -5.201 1.365 -0.505 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 -7.761 -6.773 -2.949 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 -12.450 -14.230 5.717 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 -6.236 -10.392 -4.707 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 -0.505 -3.796 6.888 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 12.001 -0.527 -8.279 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 3.664 0.322 3.842 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 -3.890 1.010 4.196 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 0.014 2.801 5.172 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 -1.891 13.733 -16.793 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 3.195 -2.879 -3.587 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 2.979 -12.001 8.242 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 -1.577 10.046 -5.108 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 1.002 -7.280 0.552 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 6.262 12.586 -5.659 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 0.657 -19.691 -8.773 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 0.881 -0.994 4.308 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 6.966 12.537 -18.444 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 16.052 0.538 -6.507 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 6.256 -1.351 -2.854 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 -6.183 -3.290 0.706 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 5.184 0.305 -15.150 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 1.801 7.397 -4.440 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 2.708 -2.600 4.092 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 9.122 -3.001 14.614 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 -5.672 -0.907 1.928 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 -7.234 3.552 -6.598 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 -8.670 6.360 -15.320 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 7.176 -3.995 1.235 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 -1.242 -1.364 9.737 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 11.194 -5.692 -19.026 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 5.251 -3.593 -1.214 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 15.150 -8.132 17.042 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 2.256 -12.139 8.470 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 -1.118 -1.478 3.254 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 10.285 -10.691 2.515 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 -0.765 -2.293 -1.252 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 4.294 8.527 -1.088 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 9.811 10.426 -13.598 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 -17.940 8.389 -5.079 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 2.107 -3.141 3.208 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 8.224 2.016 4.277 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 -4.572 -14.297 -6.074 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 -0.577 -5.783 -2.896 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 19.090 4.493 3.473 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 -1.529 -3.904 -24.246 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 -3.088 3.708 -2.523 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 -27.495 18.637 -5.786 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 -7.571 -15.369 -17.503 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 -0.720 -3.869 -3.517 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 0.813 -14.683 -13.781 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 -3.990 18.823 16.622 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 -5.789 2.867 -1.131 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 -4.547 -4.387 -13.821 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 -2.942 16.402 -4.220 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 -3.211 3.893 5.222 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 -5.035 5.982 35.439 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 -2.619 -21.048 0.803 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 -4.609 -6.648 -6.636 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 21.110 -2.632 -8.365 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 3.565 -6.142 -4.990 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 -2.698 -0.821 3.592 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 -17.226 -0.756 15.322 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 -4.039 10.103 -9.819 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 -4.183 2.359 -0.169 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 -15.640 0.442 -3.752 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 3.746 -10.516 15.228 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 0.109 -2.321 -3.021 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 1.453 5.554 16.092 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 12.267 -3.208 9.536 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 7.064 9.473 -0.157 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 13.661 -24.063 -8.416 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 27.060 22.182 0.085 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 -1.526 1.212 1.126 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 -4.180 7.915 -1.771 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 22.534 -20.775 2.092 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 -3.646 5.821 1.219 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 -2.128 -12.070 2.025 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 -21.746 -4.335 -6.650 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 -1.249 -0.273 0.224 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 -11.020 6.868 2.796 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 -11.295 2.479 0.527 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 1.770 -3.086 3.296 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 1.427 1.352 22.634 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 13.012 6.758 8.027 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 -4.341 -1.045 -3.821 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 -16.930 -13.987 7.258 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 -2.106 13.808 -10.738 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 -0.637 -0.659 1.813 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 -8.267 -2.702 -2.064 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 4.058 -1.415 2.708 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 -2.789 -1.372 -1.356 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 0.706 -1.938 4.688 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 14.075 3.062 15.514 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 1.057 -0.009 -4.152 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 9.574 -0.696 -2.296 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 0.775 6.640 -10.229 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 1.163 9.149 -4.141 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 14.121 13.777 -6.977 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 -7.496 17.732 -11.538 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 3.242 2.917 1.916 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 5.712 -12.578 3.679 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 14.044 -2.059 -1.509 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 -3.420 0.620 2.564 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 -4.039 -10.125 -9.505 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 5.937 21.700 -3.066 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 3.295 3.124 -1.779 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 1.889 11.027 3.272 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 -4.509 -17.256 -3.200 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 -0.464 -1.984 1.975 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 -1.910 -8.551 15.710 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 -1.789 -28.607 23.780 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 -2.895 -2.258 2.693 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 -2.351 -5.147 -0.065 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 -1.219 16.880 -19.282 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 1.826 7.506 -1.107 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 1.138 5.197 -3.558 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 9.972 -6.032 -10.127 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 -4.331 -3.050 3.679 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 -3.573 -4.152 10.501 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 -11.070 -13.197 11.891 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 -1.035 -8.623 4.196 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 4.767 -36.423 -0.926 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 -4.634 -8.890 17.048 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 3.295 -0.178 5.756 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 -11.114 17.968 -3.920 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 -2.758 1.481 10.645 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 3.011 -4.919 0.109 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 13.905 10.418 2.432 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 11.915 -11.197 -14.176 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 -4.699 -0.762 0.030 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 -5.046 2.705 17.602 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 4.504 5.871 -17.374 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 3.244 -1.204 -2.178 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 -2.115 13.117 -17.701 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 12.645 -13.609 -20.470 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 -8.608 -0.339 -1.363 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 4.826 -18.644 20.748 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 10.361 0.889 26.110 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 -5.939 -1.267 -4.042 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 -4.858 -8.280 -1.498 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 -3.464 -22.841 4.830 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 5.081 2.769 -6.162 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 5.857 4.784 -2.374 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 22.886 8.986 22.024 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 0.384 -4.164 -0.780 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 -14.355 10.110 12.274 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 6.568 -10.177 -5.659 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 -4.758 3.593 0.851 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 20.242 9.487 -8.556 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 -22.039 -3.250 5.714 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 -4.923 -5.400 -3.256 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 22.607 -10.321 -34.317 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 -13.452 36.715 -10.669 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 0.525 -3.231 2.458 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 8.534 -18.793 -11.404 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 -12.308 1.120 -1.880 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 0.041 4.647 0.845 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 -1.940 -2.991 -13.237 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 13.132 18.755 -6.494 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 1.675 -6.560 -4.155 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 -15.488 -17.479 18.185 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 6.741 -15.361 -2.477 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 -1.189 0.522 -1.459 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 -11.756 2.273 -3.794 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 -4.059 9.206 -4.364 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 -0.409 5.156 -2.960 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 -6.333 1.121 -28.342 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 -1.535 8.103 9.129 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 -1.117 -3.604 6.639 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 -4.665 12.414 5.772 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 10.877 -21.947 -15.981 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 6.438 -2.355 -3.234 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 0.560 -7.733 -5.736 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 -10.202 -15.909 -10.462 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 6.031 1.194 1.353 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 -1.216 -0.099 -3.709 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 3.305 6.402 -2.568 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 11.818 -0.921 -0.981 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 -15.524 -4.204 -24.582 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 30.985 1.627 26.705 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 0.445 6.100 3.579 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 -2.526 3.907 -7.128 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 -10.129 14.128 17.353 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 -6.226 1.452 -3.530 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 2.003 -8.834 -2.872 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 3.795 -6.428 -22.731 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 5.438 -5.039 -0.932 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 29.749 -5.998 1.647 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 10.868 -6.058 3.266 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 -11.329 -5.400 1.404 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 -8.117 -10.729 -1.452 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 2.717 18.043 -7.116 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 -1.467 -4.995 -0.298 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 -9.789 6.447 -0.746 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 -5.723 -16.176 -3.374 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 2.263 -4.714 5.173 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 9.696 -12.245 -13.615 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 -2.013 -14.477 13.142 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 -1.521 5.739 0.388 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 -13.496 0.479 -8.133 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 2.416 3.837 -10.741 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 0.730 -6.459 0.759 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 5.835 -3.769 1.113 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 1.379 -8.039 10.531 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 3.331 -3.444 1.295 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 16.623 -10.597 3.657 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 7.635 13.888 -6.286 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 -3.184 -5.101 -3.301 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 -10.641 7.101 -8.136 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 4.705 -2.769 0.883 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 -4.099 1.805 -5.207 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 10.833 -4.218 11.381 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 5.284 10.577 -1.311 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 1.380 -3.992 -0.255 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 2.480 -1.866 -6.855 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 7.084 -5.329 -13.620 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 -6.601 -1.753 -0.241 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 -10.366 1.578 -4.541 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 -1.151 10.928 -6.655 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 1.881 1.116 -5.060 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 11.208 3.319 -7.674 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 -0.240 -3.501 -13.802 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 -3.935 -3.793 -0.950 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 -5.055 0.363 -1.364 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 4.357 7.571 2.743 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 -0.034 -2.295 -0.820 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 -0.763 1.864 -2.441 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 -0.477 6.495 -1.714 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 -2.346 -2.808 -2.753 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 -1.616 22.250 -4.768 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 -0.055 -3.037 -2.755 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 -2.089 3.797 -2.890 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 4.891 15.060 3.698 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 -6.519 -2.133 -32.594 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 0.982 -2.710 -1.068 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 1.301 -3.092 7.419 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 -1.325 -6.730 -5.682 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 4.448 -1.923 -0.568 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 8.245 -6.645 -17.691 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 -7.626 10.742 -4.716 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 4.451 0.379 2.016 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 5.388 0.821 9.734 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 10.412 1.132 -3.270 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 -0.351 -3.041 -4.217 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 -2.582 -4.317 -4.076 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 11.345 9.616 -20.942 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 6.536 -0.438 -3.876 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 -6.789 -8.969 2.339 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 9.486 13.723 7.750 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 0.682 0.177 -1.371 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 -5.980 -35.660 11.894 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 -4.764 12.436 10.462 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 3.255 4.169 -7.105 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 -8.544 -3.410 -12.213 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 7.393 -3.096 -14.682 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 -4.839 1.466 2.051 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 5.740 -2.637 7.818 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 -5.913 -0.696 6.057 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 2.968 -7.531 3.793 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 -6.507 -13.859 -24.631 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 -15.833 14.515 11.530 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 -1.181 -0.334 -1.705 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 14.070 -4.967 7.863 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 -8.956 4.491 10.141 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 -3.865 2.105 -2.016 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 -11.365 4.529 -5.143 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 1.600 9.603 -0.396 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 3.691 -4.729 -6.118 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 -10.510 -11.921 17.399 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 17.724 13.904 5.789 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 3.294 4.698 -5.573 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 -24.728 -1.281 7.429 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 5.881 -2.578 5.490 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 -0.720 2.826 3.052 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 5.558 -10.257 8.390 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 5.139 27.204 1.640 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 6.014 0.608 -2.110 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 -10.223 7.633 -19.881 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 -11.430 -4.714 22.467 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 3.986 -2.056 -8.183 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 10.865 -2.467 -20.334 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 14.631 3.812 7.221 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 -4.014 -1.532 -1.722 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 -10.497 -11.321 -3.801 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 20.204 7.882 22.257 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 3.377 0.726 6.856 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 4.430 -2.024 44.864 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 -7.176 -3.602 -17.613 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 1.510 3.042 1.406 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 -11.223 4.502 -1.324 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 1.133 3.853 14.967 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 3.977 -5.604 4.243 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 -2.437 3.647 -15.376 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 1.462 -1.896 -3.524 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 4.546 0.977 -2.998 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 19.521 -4.908 6.673 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 -6.883 21.532 -30.426 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 2.706 2.888 -2.252 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 5.386 -6.667 6.689 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 -22.614 -4.473 -11.334 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 2.831 1.034 6.157 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 -8.191 -0.993 -1.877 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 -2.681 1.704 2.172 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 -2.126 -1.336 1.323 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 8.602 -27.548 -5.168 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 -13.816 27.103 10.601 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 -0.171 -1.929 0.308 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 -33.500 0.246 1.955 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 0.791 2.702 11.438 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 -2.731 -3.773 -0.573 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 -8.761 3.683 -5.899 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 9.820 -12.614 7.790 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 -0.611 1.157 -3.032 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 8.667 -14.386 -19.575 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 -19.031 24.314 16.089 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 -1.026 -4.274 -0.892 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 8.930 5.416 0.283 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 -3.615 -2.966 -7.962 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 -2.568 6.086 -3.703 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 1.376 0.410 -5.795 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 -21.285 -0.214 -14.052 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 -3.127 1.977 2.218 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 -3.482 -16.938 3.347 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 -22.439 6.895 24.935 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 -0.971 6.641 -0.123 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 -21.736 -11.148 -18.249 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 3.160 5.991 10.529 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 -4.826 0.372 -7.330 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 1.184 -5.366 -8.274 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 0.357 -6.929 -8.861 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 2.279 -1.490 -5.169 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 2.085 -1.990 -3.026 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 -1.755 2.298 -2.360 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 2.055 5.076 2.318 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 1.666 -19.153 0.422 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 27.824 11.783 6.662 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 6.003 5.558 3.541 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 9.918 -0.737 2.065 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 4.396 7.164 -15.682 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 2.111 3.522 -0.840 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 -1.185 -23.085 -2.371 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 -3.703 11.532 -13.438 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 -0.052 3.278 -0.174 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 24.778 8.369 -8.333 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 -13.094 5.089 -21.730 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 1.144 -6.915 -0.786 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 9.980 -5.497 -3.552 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 3.738 -4.476 -1.389 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 4.441 0.558 4.943 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 -13.602 -1.988 9.799 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 -8.923 15.589 -26.938 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 4.679 -5.642 4.734 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 4.162 -6.341 11.476 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 3.138 -5.575 14.815 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 1.499 0.247 4.777 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 4.819 -0.541 -0.076 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 11.574 -0.270 -9.785 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 2.686 3.174 -4.582 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 1.376 0.689 -2.306 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 10.105 -9.707 1.299 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 -0.830 4.883 -2.958 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 -8.015 -7.373 -4.539 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 -9.562 -7.016 -27.173 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 -0.297 -10.187 4.803 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 26.286 -15.873 -7.874 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 -0.887 -10.772 -0.821 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 5.765 8.921 -3.436 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 10.541 5.967 0.008 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 5.815 5.478 -7.562 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 -7.380 6.527 0.814 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 -3.127 -1.174 0.496 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 -5.225 3.639 4.180 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 5.773 0.573 -2.583 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 2.481 -8.725 10.392 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 4.332 22.562 -22.035 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 1.970 -1.823 -7.279 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 5.852 9.964 -26.644 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 0.748 -8.200 -6.322 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 4.403 2.735 3.676 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 9.468 -0.045 22.844 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 -0.245 -11.038 -10.804 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 -2.536 0.923 3.467 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 0.165 9.397 2.626 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 -1.969 3.734 3.737 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 2.270 1.677 4.756 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 -6.741 16.712 -8.598 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 17.390 13.907 26.272 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 2.936 -3.009 3.620 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 -0.764 -7.163 -10.518 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 3.143 7.009 11.064 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 9.444 3.831 10.567 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 4.911 0.898 2.335 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 13.883 5.263 14.788 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 2.504 -2.370 -0.624 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 -13.951 -11.858 16.500 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 22.227 7.582 1.073 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 1.308 -2.716 0.865 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 -6.223 -28.340 -3.929 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 10.580 -12.657 -9.900 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 0.872 10.037 3.380 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 -14.766 11.078 -9.339 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 7.004 19.925 -10.628 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 4.460 -0.171 2.419 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 -1.851 -11.021 -2.878 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 3.642 -4.127 11.813 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 -3.889 4.465 -9.112 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 4.144 -7.777 2.909 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 -10.807 -12.151 12.430 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 4.475 -0.524 -1.079 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 0.075 9.951 11.311 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 2.186 -8.707 -6.165 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 -6.218 -5.209 4.007 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 -13.054 0.712 2.261 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 -12.251 -3.310 11.334 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 0.493 -1.402 1.995 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 -2.538 15.243 -3.199 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 -1.734 -1.301 -2.542 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 2.614 -3.387 0.480 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 6.177 0.836 0.309 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 -4.674 -7.738 4.507 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 -6.892 3.567 0.597 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 -4.299 2.923 -0.868 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 -8.994 2.537 2.133 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 0.914 1.546 -1.163 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 8.169 -14.575 12.311 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 16.116 4.561 -18.650 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 -0.116 2.203 3.071 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 4.611 5.900 -6.860 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 -0.953 -14.450 13.305 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 0.120 3.709 -1.879 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 10.810 17.011 -5.589 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 -8.594 4.698 -7.017 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 -0.038 1.891 3.209 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 18.942 -0.529 -9.983 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 -15.524 -18.999 7.846 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 1.459 -2.453 -3.390 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 -3.359 -29.971 -5.771 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 -19.306 -7.858 3.989 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 6.142 4.689 7.448 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 27.779 -23.627 5.344 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 -11.861 3.006 -26.288 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 -1.092 0.525 9.354 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 -9.117 8.299 8.691 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 15.431 24.568 3.147 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 -0.092 -1.015 -2.644 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 -1.154 18.978 5.216 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 6.382 -7.012 3.602 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 -2.416 6.924 0.870 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 -8.037 4.751 -8.114 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 -8.418 10.140 8.826 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 2.010 -1.087 1.122 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 -9.592 2.933 2.545 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 9.911 5.039 8.912 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 -3.744 -0.158 -0.198 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 -11.669 -23.227 6.810 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 -8.828 -14.369 4.271 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 4.855 5.229 -4.190 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 -0.328 3.023 -4.684 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 10.945 -0.014 -4.801 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 -8.280 -3.572 -8.372 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 -23.842 6.935 -5.730 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 8.052 -10.907 -10.997 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 1.617 6.522 -0.953 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 2.290 3.548 7.181 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 -2.745 14.815 -1.192 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 -0.357 1.868 7.059 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 -10.075 6.443 -11.712 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 11.269 18.492 11.011 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 10.901 0.013 3.704 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 3.607 -7.701 -6.583 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 9.867 13.035 2.618 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 2.314 5.499 -1.803 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 -12.954 1.187 15.383 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 -16.883 15.735 -7.257 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 1.409 -7.973 4.533 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 -6.341 1.398 -1.952 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 8.429 -17.506 -6.762 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 2.236 -0.291 -1.854 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 4.943 -9.540 16.395 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 26.805 8.723 -29.949 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 -2.987 2.178 -2.204 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 18.007 21.430 2.017 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 22.970 30.564 12.490 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 -5.116 -2.711 3.537 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 -3.210 9.435 9.367 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 11.851 -4.460 -6.942 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 -2.138 -1.526 0.924 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 1.540 -16.711 3.723 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 -0.939 -6.278 3.577 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 4.942 -6.214 0.553 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 4.693 1.162 -7.910 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 6.578 -3.031 -2.299 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 -6.370 -3.931 3.256 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 -12.140 -3.997 8.429 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 -26.216 -12.446 20.451 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 -3.775 -3.806 4.174 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 -30.262 -7.671 -5.063 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 16.579 1.569 -3.846 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 -3.381 -4.702 -5.205 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 -0.202 10.680 -16.886 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 0.864 -17.988 -14.193 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 -0.753 4.165 7.581 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 -5.285 3.016 15.719 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 -6.629 6.450 -0.856 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 -3.440 9.891 -4.239 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 -3.254 16.087 -7.539 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 -5.250 -6.177 7.692 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 -4.393 3.653 1.125 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 13.607 6.888 5.415 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 14.060 -15.261 21.178 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 -6.712 -5.300 -4.205 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 -7.438 -1.233 11.723 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 5.436 -31.450 -4.079 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 -1.743 -1.983 3.885 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 -0.422 12.419 -9.095 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 -5.071 3.134 -18.145 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 2.371 -0.849 0.795 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 -23.584 3.282 -10.692 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 13.462 -14.748 -5.916 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 1.766 -0.632 2.632 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 -2.469 3.375 -9.414 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 6.000 4.178 -4.389 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 2.489 -1.091 -0.689 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 1.577 -5.198 0.108 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 -0.336 5.160 -8.905 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 -2.611 -0.279 9.944 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 -3.650 -2.490 29.999 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 -12.036 10.488 5.422 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 -1.221 -0.196 0.318 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 12.435 -12.410 -4.246 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 1.359 -11.112 -1.948 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 7.085 -2.703 -5.625 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 -3.907 7.678 -6.354 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 5.268 -1.412 1.546 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 -6.066 -0.240 1.577 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 -4.580 -7.434 36.498 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 11.378 4.679 -23.823 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 1.763 -1.221 1.292 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 2.427 -0.952 -4.364 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 -16.254 6.323 -3.559 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 2.033 -2.991 8.424 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 4.503 -0.806 -5.791 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 13.434 -25.616 6.015 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 0.061 -3.111 1.349 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 -4.192 -16.447 4.048 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 0.107 6.603 -9.330 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 -0.007 -3.001 3.668 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 -1.509 -2.078 -10.764 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 -6.449 4.407 14.617 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 -1.611 2.215 -4.641 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 4.990 -5.420 -12.297 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 6.009 7.571 -6.210 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 1.684 -1.418 -4.888 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 13.113 -8.252 -0.049 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 17.983 -13.141 3.667 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 1.304 -1.390 5.852 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 21.399 4.681 -17.234 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 -6.582 -21.202 16.373 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 -6.784 1.203 -5.619 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 -4.744 -13.884 -13.409 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 -10.920 11.304 -6.616 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 -6.092 5.715 3.795 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 -19.523 -7.365 -2.468 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 13.221 6.367 6.040 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 2.001 1.658 1.708 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 -0.106 -19.039 -6.573 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 2.882 11.998 7.543 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 -1.387 3.610 -2.567 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 -0.213 26.599 -12.635 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 -0.865 -11.213 2.421 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 -2.924 -0.981 -3.671 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 3.125 6.663 10.077 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 9.404 -10.189 -5.823 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 -2.435 5.053 -3.184 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 -21.775 -7.820 -8.230 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 -1.267 6.717 9.363 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 -3.779 -0.723 3.496 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 -2.398 6.897 9.297 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 -5.783 -1.735 0.978 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 1.268 4.072 2.797 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 -4.695 -4.552 -11.719 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 6.142 10.375 10.505 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 5.463 -8.786 -3.014 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 -1.019 -2.981 -4.692 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 10.435 -3.595 4.535 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 2.252 4.081 0.232 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 0.721 -16.902 -7.920 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 -16.317 -1.689 -3.061 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 -2.197 0.217 8.019 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 -37.561 -29.745 16.597 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 0.338 -0.464 -0.293 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 7.097 -0.353 -0.338 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 4.283 9.126 -6.381 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 2.433 2.064 -2.784 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 0.659 5.069 0.869 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 -2.278 9.586 23.895 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 -18.895 -4.311 -6.764 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 1.184 -3.008 -5.396 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 -9.586 5.952 4.664 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 11.604 -11.447 -3.492 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 0.931 2.125 -0.504 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 13.915 20.887 -3.339 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 6.361 -3.480 12.785 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 -0.883 -3.935 -1.871 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 0.791 11.659 1.873 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 -3.573 -18.710 -6.412 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 9.198 1.808 -6.437 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 14.947 -5.788 14.587 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 15.410 21.066 -2.846 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 6.916 -6.634 1.220 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 5.858 10.747 10.368 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 18.382 16.143 0.699 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 3.211 3.204 -0.820 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 -5.384 -10.314 20.843 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 15.721 -10.651 -6.579 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 1.316 -5.319 0.256 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 13.591 -2.960 4.634 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 7.574 1.780 5.775 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 5.959 -2.514 -3.893 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 9.860 -1.498 10.413 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 13.149 12.324 -0.338 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 0.619 1.590 -4.145 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 7.187 1.469 3.615 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 -8.160 -10.874 -7.341 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 1.802 -5.538 -1.735 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 1.557 -9.451 -9.402 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 1.760 -0.273 -16.983 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 -1.917 10.331 -0.155 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 0.438 3.834 -1.554 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 6.110 13.090 0.808 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 0.530 4.345 -3.983 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 4.017 4.627 -10.030 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 5.045 -6.519 0.396 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 4.860 -0.350 -1.209 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 -1.858 -26.350 -9.499 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 -1.694 3.175 -17.877 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 -2.530 -0.960 -3.779 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 0.956 -17.295 -13.619 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 -0.544 -11.766 -8.462 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 5.121 -2.816 4.836 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 4.573 3.365 2.219 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 1.634 -6.429 0.113 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 -0.423 2.546 -4.037 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 -1.306 2.580 -8.830 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 4.384 -11.098 4.260 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 -1.650 3.276 -3.926 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 1.207 8.933 -20.067 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 14.321 15.658 -14.185 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 2.760 1.135 -3.252 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 -15.159 13.033 -18.236 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 -12.007 -2.464 13.709 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 0.700 2.735 11.320 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 -9.061 -0.202 -7.939 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 -37.609 4.042 0.267 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 -0.846 6.337 -1.943 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 -11.630 4.284 -2.245 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 -7.497 -9.055 -3.957 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 1.231 -0.199 0.994 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 9.591 -1.665 11.670 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 -0.140 -44.507 21.833 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 -1.025 -1.044 1.623 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 -10.123 0.098 7.453 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 -6.244 -5.765 -14.665 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 4.446 0.802 1.646 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 -1.950 3.471 -15.988 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 29.616 19.585 -14.642 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 5.591 -9.292 -0.012 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 9.101 -9.041 -6.164 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 5.149 -12.889 -1.404 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 -4.208 0.123 -4.576 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 -2.537 -5.774 13.556 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 -9.487 -6.505 -7.411 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 -4.255 3.014 2.785 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 -2.263 2.551 9.839 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 -0.211 6.119 -9.909 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 -3.308 1.861 -2.393 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 -2.399 0.881 -7.708 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 -0.409 2.614 -13.097 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 -1.936 1.112 -10.412 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 -4.044 3.843 -4.144 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 -13.525 0.743 1.894 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 3.822 1.446 1.797 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 0.594 0.047 2.626 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 -15.372 1.083 1.374 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 3.815 -8.181 -3.342 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 4.790 11.180 3.764 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 -18.544 6.841 -6.874 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 4.860 0.592 -1.054 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 0.408 0.853 1.014 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 7.574 -0.060 2.886 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 2.611 -0.426 -6.081 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 5.452 8.387 -6.722 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 10.202 5.752 -12.220 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 0.618 2.654 -4.917 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 6.178 13.543 -10.110 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 3.360 -19.153 -7.858 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 -3.221 -2.867 -2.135 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 30.450 4.153 13.463 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 -6.121 -19.686 -16.205 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 0.764 5.422 2.751 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 2.254 8.234 -8.644 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 -0.274 -2.582 -9.889 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 0.656 7.531 -4.056 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 2.866 -1.427 1.019 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 9.266 4.365 -12.112 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 3.120 1.269 -1.497 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 -0.184 3.374 -7.938 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 1.473 -0.318 -3.981 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 5.972 4.417 1.645 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 7.786 8.436 2.496 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 6.091 5.826 3.293 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 5.398 -0.994 -3.918 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 3.277 5.583 -7.415 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 14.412 -17.284 -19.117 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 -3.706 1.983 -1.371 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 5.732 1.700 -7.457 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 -3.629 -2.699 7.810 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 4.043 2.454 -3.097 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 0.991 0.103 -5.084 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 -40.022 -26.281 -6.913 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 1.226 5.372 6.246 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 -3.842 -3.160 16.395 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 9.967 3.649 2.032 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 -1.302 -1.570 2.655 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 23.660 7.973 -6.589 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 4.184 12.475 -19.025 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 6.464 6.764 -4.558 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 1.878 6.481 -7.102 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 -7.209 -0.525 2.540 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 1.565 3.317 3.886 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 0.831 19.305 -19.226 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 1.550 6.488 2.303 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 8.551 4.973 1.471 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 10.265 4.677 3.854 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 3.601 8.750 5.723 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 3.166 -0.299 -2.382 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 -5.683 0.768 6.360 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 -4.666 -3.070 20.370 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 -3.848 3.834 -0.188 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 25.517 -1.520 -1.256 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 -8.975 4.064 -10.772 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 1.054 -3.106 -1.047 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 9.101 -11.137 -8.472 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 -8.074 -2.963 5.532 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 -0.078 -5.077 -0.826 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 3.051 -25.280 -3.137 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 18.530 2.994 6.093 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 3.876 -0.448 -2.247 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 -0.868 -1.280 8.797 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 9.606 -8.499 -12.156 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 2.534 2.140 9.338 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 -34.278 30.209 -18.080 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 17.130 -34.649 -23.242 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 -4.046 -0.927 -4.291 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 -1.201 -0.813 -2.715 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 22.039 -32.783 1.819 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 -1.201 3.985 -1.999 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 6.387 0.741 3.783 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 -2.027 6.043 -3.264 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 5.517 -0.132 6.882 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 -0.678 15.965 7.686 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 -4.763 -5.940 19.302 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 6.543 0.206 0.703 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 -28.578 20.340 3.670 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 7.440 -13.847 4.460 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 2.309 -0.199 6.944 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 -2.327 18.910 -1.040 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 3.611 -12.565 10.440 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 -0.768 3.455 -1.442 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 2.339 28.461 9.200 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 11.815 -0.084 -6.234 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 8.234 -10.071 2.904 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 -0.306 -1.252 11.356 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 11.897 -20.748 9.278 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 -2.032 1.240 0.055 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 -7.634 -4.437 -12.260 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 8.623 -1.594 -4.634 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 1.562 -5.823 -4.381 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 0.523 -8.719 13.834 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 5.490 6.358 13.953 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 -0.096 2.499 -6.206 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 -6.521 -12.200 -10.416 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 -6.104 6.384 -23.102 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 -0.077 1.864 0.608 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 -10.518 0.253 -10.203 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 0.645 2.086 -0.721 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 0.067 2.545 -5.817 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 -1.680 19.270 -2.538 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 8.524 -10.847 -16.856 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 0.602 4.692 1.725 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 5.922 4.108 -13.223 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 10.801 0.676 17.698 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 0.081 1.687 -2.776 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 -1.254 0.417 -5.604 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 6.921 5.741 14.089 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 0.863 0.514 -2.529 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 -24.221 5.910 -10.613 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 7.823 -16.717 -22.739 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 -1.272 8.584 2.150 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 -2.371 -5.141 27.628 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 -25.634 -2.071 14.016 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 3.337 3.248 2.399 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 -25.380 -8.772 -6.813 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 -6.716 15.887 -1.437 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 -4.134 3.128 -2.242 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 -16.225 -2.458 -17.425 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 10.572 5.425 8.373 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 2.450 0.348 -0.450 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 -3.906 -5.110 -32.002 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 5.294 -3.103 -6.541 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 -2.211 0.813 6.589 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 -19.355 5.409 6.158 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 8.371 -18.620 15.814 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 3.572 -1.289 -1.369 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 -31.672 12.040 10.259 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 21.951 2.972 13.408 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 -4.056 3.651 -1.892 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 12.979 16.119 -7.588 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 -17.088 17.334 39.697 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 -1.794 -4.772 -0.437 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 11.801 -2.171 14.244 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 7.953 -2.102 11.547 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 -6.458 -10.633 3.420 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 12.305 9.861 -5.230 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 2.177 9.101 -6.479 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 2.961 -0.825 5.764 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 5.207 3.499 -2.896 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 2.497 19.225 10.358 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 -4.614 2.178 2.152 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 11.141 11.031 -0.680 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 19.862 2.845 -17.655 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 -2.162 3.089 7.766 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 -36.891 -14.701 2.161 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 -19.277 -14.996 15.631 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 2.919 -1.491 2.966 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 -9.847 0.410 21.664 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 -6.887 12.446 8.145 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 2.385 -2.103 6.521 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 -7.820 -17.493 4.000 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 1.459 -13.760 -14.994 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 -3.454 0.372 -9.910 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 8.530 8.795 -9.766 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 2.115 -3.695 -7.015 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 1.690 6.005 -1.894 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 -1.808 -0.280 1.083 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 -9.070 -1.301 6.718 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 5.272 -7.384 0.373 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 8.890 -8.136 -0.034 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 -0.959 15.284 9.565 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 -3.593 -3.366 -1.882 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 -5.149 -5.713 4.134 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 -3.628 -0.668 -6.415 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 -0.847 -1.196 2.376 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 0.775 -0.756 2.098 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 -16.970 -10.018 2.788 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 4.089 -3.320 -5.765 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 4.865 -0.422 1.136 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 3.118 0.233 4.441 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 0.036 8.016 -1.436 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 -3.480 15.231 0.279 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 -2.276 13.653 1.698 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 -0.356 5.313 -5.085 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 2.029 -6.858 10.289 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 1.889 -9.450 14.269 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 -2.320 -5.260 -6.294 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 -0.208 2.654 -26.063 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 -2.694 -9.558 2.987 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 -1.911 -2.362 -4.439 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 -1.488 15.097 6.961 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 -7.957 -0.932 -1.268 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 1.636 2.641 3.127 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 -3.677 12.342 -33.527 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 19.297 16.430 12.043 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 8.363 -2.256 5.448 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 -5.768 4.582 -5.703 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 20.127 2.175 16.425 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 3.255 0.027 -7.522 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 9.289 -2.458 -10.277 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 13.469 0.939 7.733 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 1.325 2.440 4.228 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 -0.108 -11.263 2.591 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 0.728 -25.978 9.384 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 2.485 5.047 2.168 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 -6.352 -17.380 12.482 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 26.074 1.408 6.983 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 -1.457 -2.011 -0.264 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 -8.148 -6.073 -2.906 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 6.327 -26.985 -5.067 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 1.546 0.267 2.354 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 0.841 -7.110 0.702 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 2.450 8.590 11.940 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 -1.283 -0.719 2.825 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 10.099 6.541 -11.209 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 -16.905 -16.442 1.989 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 2.632 2.005 1.161 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 -1.679 -1.473 -11.292 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 -9.806 5.596 15.323 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 -0.430 2.209 5.240 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 11.454 23.351 13.003 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 -31.832 10.801 17.518 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 6.355 -5.902 -6.068 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 6.360 -5.884 -6.512 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 -1.333 -13.068 6.757 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 3.099 -0.718 -3.522 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 17.025 4.420 10.896 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 8.684 0.809 4.285 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 0.395 4.296 -1.247 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 7.748 0.291 9.041 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 22.858 7.186 12.356 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 -2.907 1.155 1.189 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 13.269 -5.629 -10.486 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 -15.437 1.767 16.632 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 1.257 -7.115 0.688 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 -2.072 6.374 -6.781 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 14.704 -16.483 13.502 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 -1.513 -0.400 -7.018 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 0.216 1.870 -6.774 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 1.477 3.602 -8.778 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 1.890 -4.454 -1.759 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 0.416 7.075 13.372 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 -10.502 -6.198 2.875 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 -0.173 5.568 0.797 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 5.600 15.312 -2.316 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 1.814 4.827 11.116 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 -6.985 -0.773 5.709 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 -15.782 -14.678 0.105 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 2.174 4.608 -12.873 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 0.992 -2.293 -2.277 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 -2.260 18.070 3.474 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 11.498 -14.991 -6.930 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 -0.761 5.182 7.334 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 -0.377 -3.825 16.817 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 -21.805 13.905 -15.331 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 -3.127 2.229 -2.229 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 0.111 12.457 -8.607 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 12.763 -2.525 -9.723 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 3.790 -2.347 -2.893 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 12.638 1.019 9.401 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 10.440 6.342 16.166 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 2.629 2.107 -4.742 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 -16.947 -2.231 -23.760 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 4.598 1.733 -9.625 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 3.529 -0.464 0.350 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 4.807 -12.477 3.870 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 4.569 3.945 2.020 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 -3.970 5.524 1.155 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 1.026 -11.135 -2.579 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 -0.905 1.133 8.041 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 5.355 -1.928 1.610 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 10.380 -4.816 24.414 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 -0.632 6.949 -10.131 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 -3.396 1.704 6.096 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 -2.561 1.508 -0.509 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 5.302 -12.177 -0.922 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 -5.281 -3.087 2.353 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 8.247 -9.464 -8.447 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 -12.749 10.979 4.691 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 -2.175 -0.976 4.041 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 1.605 -5.264 -0.336 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 7.005 13.800 -16.718 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 -0.513 -1.270 -5.695 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 -1.985 -2.479 1.297 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 10.731 2.288 -24.599 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 -0.970 -4.761 -3.447 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 -8.696 -8.534 -23.977 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 -11.818 22.965 4.661 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 3.102 5.731 1.910 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 10.910 8.671 -3.282 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 -13.677 -0.628 15.262 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 0.247 0.690 -0.855 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 4.587 20.393 10.903 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 4.084 27.442 20.775 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 -0.136 1.349 4.076 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 -3.526 6.214 10.124 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 3.104 -9.826 -11.310 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 -7.186 -0.740 -1.729 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 23.161 2.742 -3.784 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 -12.201 -10.176 25.634 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 4.742 5.394 1.766 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 -16.743 6.716 -17.856 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 -5.811 5.309 -7.358 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 3.467 3.543 4.275 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 -13.702 2.383 0.761 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 -1.814 10.022 -5.078 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 1.967 2.390 10.038 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 10.637 -3.793 0.356 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 2.648 15.403 10.626 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 2.834 -2.578 -1.188 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 -1.935 3.715 -5.828 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 7.101 -5.568 -2.066 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 -0.004 1.526 0.156 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 8.778 -8.108 6.733 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 -7.501 -2.842 -8.257 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 -2.173 -1.380 -3.010 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 3.865 1.623 -0.153 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 3.180 -9.673 2.992 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 -0.968 3.608 1.293 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 -7.679 21.531 -29.273 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 7.707 0.879 10.825 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 7.087 -0.810 2.709 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 -10.554 -11.956 -4.024 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 5.397 -10.158 -0.487 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 -1.619 4.911 4.004 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 1.190 -4.876 5.271 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 9.618 -13.736 15.863 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 4.752 4.160 4.055 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 -8.824 5.215 -3.061 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 -9.668 9.610 8.690 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 1.351 -0.867 -7.355 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 5.461 7.693 -17.616 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 0.371 -14.521 -6.864 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 8.120 0.478 -2.317 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 13.916 5.329 16.161 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 -18.089 8.795 -1.106 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 -8.244 9.276 -1.948 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 -8.590 6.410 -6.094 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 -3.722 11.437 -2.156 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 1.256 3.480 1.803 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 5.917 13.652 -0.840 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 10.643 7.780 -9.327 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 -1.547 6.362 -2.356 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 -14.803 5.057 0.524 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 3.916 13.988 7.781 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 0.400 5.075 -9.392 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 12.885 3.060 -23.283 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 9.694 5.406 -16.551 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 -3.735 0.980 1.144 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 -10.972 -0.202 3.836 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 -2.295 -8.503 13.166 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 0.297 1.554 -4.494 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 28.134 2.196 -23.006 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 5.028 -0.219 11.409 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 0.462 -0.598 -1.337 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 6.408 -2.730 4.084 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 3.953 -7.206 -8.696 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 -3.946 -1.361 -4.365 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 -9.012 -13.537 -13.397 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 28.928 0.540 5.306 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 0.923 0.742 0.104 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 -1.995 -14.315 -7.210 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 -1.772 -6.254 2.641 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 -2.329 -0.294 2.540 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 -5.897 14.203 -0.415 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 -9.698 -0.428 20.759 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 -0.453 1.949 -1.998 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 -6.125 1.888 3.571 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 -0.875 9.147 -7.839 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 -4.853 -0.459 1.312 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 2.484 -3.080 -5.090 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 -8.047 -8.349 5.723 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 1.341 4.466 1.800 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 -10.344 -19.854 -7.406 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 -15.298 8.036 15.106 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 -2.658 10.509 1.642 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 -4.993 9.716 5.375 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 -6.447 8.684 5.467 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 2.642 1.023 2.103 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 5.868 -2.186 4.653 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 -0.438 -0.850 -4.842 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 0.048 -1.355 5.100 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 -6.567 -3.435 16.567 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 -9.271 -12.260 -6.695 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 -3.340 -4.700 -0.314 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 8.045 -4.679 -14.009 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 1.953 -12.175 14.934 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 -5.757 2.605 -3.707 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 15.841 -19.725 -8.688 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 -4.818 0.475 -4.557 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 4.786 3.091 0.738 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 -5.530 21.858 16.801 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 -27.616 14.951 -7.117 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 3.924 -1.017 0.149 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 4.862 -0.891 21.786 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 11.149 1.538 20.747 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 -2.518 0.417 -8.456 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 7.814 -8.418 -10.708 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 -6.338 -4.906 0.806 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 -5.208 2.698 -1.686 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 -18.442 2.823 12.047 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 2.748 2.902 -12.282 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 2.452 0.558 -5.918 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 -9.681 -10.178 15.201 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 -14.526 1.118 -18.498 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 4.170 0.768 1.315 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 38.778 -4.708 35.783 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 -3.654 -16.790 -6.128 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 0.871 0.296 -2.550 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 16.515 -0.003 -1.736 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 -2.006 -2.667 -2.132 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 -2.423 -1.028 0.572 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 -8.027 7.045 -8.101 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 7.456 -10.560 2.684 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 -1.127 1.803 1.516 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 2.944 20.402 41.460 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 33.280 18.760 5.214 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 -2.194 -9.803 -8.621 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 -0.796 0.181 -9.231 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 2.731 6.927 24.445 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 -0.556 -0.927 0.585 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 13.655 5.196 -14.059 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 -15.144 -8.548 -11.840 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 -2.502 -1.933 -5.562 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 33.699 -2.764 -14.092 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 -13.199 -4.950 30.215 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 2.800 0.858 0.453 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 -0.214 14.737 9.199 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 -2.510 5.541 0.777 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 3.643 -5.326 5.197 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 -5.771 -6.040 10.599 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 -22.606 -8.401 22.851 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 -6.170 -3.844 -0.646 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 12.157 -2.696 -9.220 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 6.109 -20.401 -6.832 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 2.432 0.579 3.878 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 11.741 9.420 -8.824 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 17.004 -14.680 -2.127 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 0.937 2.327 1.759 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 -6.831 3.333 5.524 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 -5.728 0.433 9.983 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 2.986 -0.032 3.451 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 -0.754 -4.563 -6.664 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 0.883 4.754 -10.883 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 -2.664 -1.812 -2.187 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 5.856 -2.637 16.403 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 2.115 -2.522 11.203 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 0.289 -1.216 -2.902 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 1.756 21.290 1.359 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 6.431 -20.450 -0.086 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 4.856 -3.491 4.619 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 37.432 -2.987 13.717 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 -9.879 0.568 14.291 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 -1.779 -4.614 4.445 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 -3.726 -14.952 10.514 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 9.632 16.375 8.447 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 1.781 -0.008 0.879 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 0.862 -2.751 0.344 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 10.757 -16.233 3.379 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 -1.155 5.170 -4.300 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 -7.610 1.440 9.230 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 -24.119 8.411 3.460 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 4.130 8.629 -4.271 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 0.761 6.031 5.778 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 15.065 9.807 -1.185 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 -2.587 -4.745 3.982 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 8.109 -5.136 26.217 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 -9.718 -3.884 -13.306 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 -2.334 -4.733 -1.697 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 1.588 1.936 -2.550 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 7.211 -10.324 5.587 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 -3.208 2.672 1.449 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 -8.187 -7.231 -6.442 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 -0.901 17.668 15.396 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 -4.372 2.947 1.934 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 -0.857 13.507 27.625 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 8.443 3.769 -5.156 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 1.739 -0.600 -1.903 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 4.327 5.559 -7.052 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 0.157 -3.277 0.860 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 -5.293 2.973 1.539 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 4.358 -1.021 2.764 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 -4.802 14.647 27.775 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 3.207 4.405 -0.481 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 3.887 -3.761 5.479 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 15.917 1.280 5.756 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 5.074 -1.264 3.063 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 -8.250 7.128 -6.669 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 10.772 0.896 -5.602 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 -2.146 4.626 -4.472 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 7.829 13.971 -4.853 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 -10.327 3.768 -16.187 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 -4.359 4.624 -2.152 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 -14.387 0.459 4.173 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 -29.035 -8.392 11.420 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 -4.204 2.248 10.867 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 -4.462 1.559 19.512 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 -7.174 10.274 -7.872 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 1.613 2.694 0.883 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 -12.718 -1.152 11.638 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 -4.386 15.225 -19.887 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 -0.000 0.083 -4.247 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 -0.493 14.533 0.432 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 -14.017 -4.264 -1.913 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 -4.199 1.996 10.118 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 -7.347 -9.811 9.948 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 -11.688 5.606 9.396 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 0.229 -5.203 -11.527 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 25.694 -15.212 -2.963 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 6.472 4.437 -34.709 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 -0.990 -0.861 -2.166 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 2.012 -4.703 12.157 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 0.746 14.729 -12.819 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 0.848 -0.746 -6.956 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 -3.088 -2.808 -10.705 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 -11.255 -6.758 -18.146 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 -5.654 5.675 3.909 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 -15.206 -7.306 22.700 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 20.886 10.976 1.113 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 -0.867 1.305 5.775 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 9.895 10.960 -16.805 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 -10.504 -16.660 23.579 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 -3.488 -0.778 -0.337 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 1.753 -3.253 4.374 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 -10.202 5.365 -1.056 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 -2.604 2.567 4.582 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 3.083 -11.755 -13.502 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 -2.099 -6.250 2.140 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 0.522 -9.117 -4.197 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 12.287 -18.872 -6.303 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 -13.562 -12.713 -1.472 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 -5.166 -5.257 3.953 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 9.361 -2.987 34.191 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 -0.351 -27.781 10.366 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 1.936 1.769 0.653 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 0.199 2.114 11.056 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 -6.235 -3.306 -0.292 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 -1.769 1.655 1.232 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 6.174 -3.903 29.024 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 -3.416 -0.572 0.662 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 1.548 -2.917 1.497 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 -1.420 0.651 5.663 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 -4.640 10.031 -2.542 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 -6.381 -4.103 -1.669 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 -1.920 21.201 -3.809 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 -20.821 -21.743 -9.224 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 -6.549 -5.472 0.912 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 -0.752 -4.647 -3.020 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 -11.356 -2.358 4.008 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 3.720 -3.781 -5.170 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 19.450 -6.461 -17.896 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 5.345 -4.532 -7.575 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 -0.711 -4.481 -2.964 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 -18.510 24.022 -16.515 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 -2.863 19.171 8.361 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 1.886 -8.452 4.946 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 3.307 -22.190 9.964 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 -11.700 -2.650 -7.266 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 0.159 -0.659 -5.657 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 -19.697 0.803 -0.236 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 13.519 -24.163 1.178 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 5.204 0.925 1.185 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 0.920 2.018 -16.322 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 -18.218 -5.913 -8.484 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 -3.638 -1.525 2.239 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 -0.256 -20.905 2.952 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 -0.164 -16.426 6.179 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 -5.422 5.474 2.526 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 -3.627 -24.137 -8.813 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 -0.909 -2.196 -2.802 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 0.815 4.226 -3.185 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 -16.134 -8.105 0.481 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 17.630 -6.879 3.306 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 0.841 -1.083 -2.339 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 17.682 9.546 -0.553 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 -12.948 24.808 12.986 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 -2.057 4.956 6.911 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 8.109 -4.883 17.060 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 -14.475 -10.377 6.975 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 8.046 -3.364 -7.245 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 2.363 -1.387 4.310 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 -9.395 19.514 -9.930 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 5.001 2.506 2.912 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 -8.306 -3.201 5.260 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 -9.785 2.296 14.581 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 -1.538 6.422 0.373 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 5.228 9.874 2.713 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 -5.401 0.520 -0.103 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 -1.846 -6.367 5.934 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 -1.568 13.848 1.153 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 -17.484 -2.965 -16.909 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 -1.595 -2.661 3.567 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 -11.778 6.653 -3.016 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 5.886 -5.929 7.282 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 1.744 3.969 4.584 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 -10.396 19.522 12.680 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 -3.401 9.735 14.174 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 -1.016 -0.009 2.116 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 3.015 15.174 16.990 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 -2.287 -4.132 -2.343 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 -2.327 9.663 -5.750 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 -2.352 14.048 3.199 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 -5.019 19.082 -1.383 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 -4.745 -2.402 4.366 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 -12.186 -17.454 4.348 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 -4.535 -9.861 3.884 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 0.521 1.361 -3.162 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 14.000 -1.077 -5.319 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 1.944 12.902 -10.657 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 -5.076 2.304 -2.904 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 -9.113 14.228 -6.606 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 4.693 0.148 6.721 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 -1.066 -6.008 0.593 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 -13.861 -2.810 -4.307 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 -8.833 2.708 14.018 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 3.713 -0.716 2.863 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 3.556 2.836 -7.682 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 -0.707 4.041 7.165 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 1.478 1.947 -1.818 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 -15.895 -3.007 -13.012 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 -21.996 -1.968 -16.923 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 -3.361 3.579 -1.930 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 10.126 -17.083 -8.092 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 -8.270 -8.918 4.266 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 -5.883 -0.221 0.883 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 2.503 30.807 17.989 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 -18.112 -13.880 -22.948 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 -5.750 2.133 -4.336 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 -11.065 3.157 -6.429 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 -28.525 16.851 -17.895 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 0.902 -3.210 1.437 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 5.148 4.791 6.444 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 -2.299 -8.768 -2.197 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 -2.279 0.300 1.289 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 13.727 -12.208 18.215 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 -20.645 -1.431 25.919 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 4.402 3.777 1.913 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 4.277 2.646 -10.819 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 -8.648 -22.303 -15.330 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 4.429 0.204 -3.527 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 9.833 6.877 16.798 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 7.481 -14.266 -6.252 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 7.213 -2.802 -3.071 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 18.256 -25.417 6.310 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 3.237 16.134 11.203 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 2.849 -0.946 -0.917 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 16.826 -15.326 1.238 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 9.580 29.185 -19.574 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 6.612 0.143 1.802 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 9.550 12.026 -26.325 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 -4.152 -28.030 2.765 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 -0.874 5.581 -0.533 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 -2.422 0.028 -11.910 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 19.223 4.495 3.570 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 -0.348 -2.162 0.687 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 1.104 -8.865 4.922 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 -3.781 7.579 -9.727 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 -1.814 -2.923 4.810 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 14.237 -1.434 7.213 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 14.124 0.100 11.741 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 -5.333 -0.745 -2.918 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 -18.011 -13.670 10.420 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 6.684 -10.578 4.763 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 -5.513 -6.286 -3.348 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 -26.273 6.713 1.225 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 6.017 -18.704 1.741 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 3.585 -0.470 -2.735 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 -12.785 0.354 1.010 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 4.736 18.728 5.356 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 8.191 -0.383 -1.433 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 8.898 -0.180 -3.134 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 16.102 15.901 -32.639 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 -4.205 -4.729 -3.141 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 -18.718 -29.331 -21.565 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 11.864 -15.832 13.020 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 -7.792 1.507 -1.553 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 -3.966 5.345 -7.426 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 -12.176 -2.707 5.710 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 -6.065 3.682 -4.714 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 -8.028 17.997 -13.114 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 2.266 20.303 -9.598 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 -3.583 -0.607 -2.811 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 -21.640 4.427 2.193 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 -21.170 -2.915 -7.674 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 0.261 -0.501 -1.541 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 -12.855 7.199 3.449 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 3.098 -3.044 -7.185 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 3.786 1.738 2.979 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 17.967 -17.691 -12.819 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 -9.401 7.670 11.762 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 -1.844 6.004 2.844 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 40.812 -15.802 -4.544 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 2.299 3.035 9.378 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 -4.124 0.256 -4.689 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 0.545 13.789 -14.403 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 0.150 -3.589 8.833 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 2.769 2.694 4.428 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 -4.422 -11.631 -0.203 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 -5.718 11.321 0.548 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 2.957 -0.069 -2.915 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 -16.463 -9.652 -2.434 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 -0.613 -17.749 -11.606 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 -0.736 -0.077 -0.295 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 -19.949 10.171 2.631 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 -6.664 22.477 0.739 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 11.283 -3.627 3.470 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 -11.881 -24.340 16.065 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 11.118 -2.100 6.906 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 0.650 -0.508 1.542 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 -0.702 -4.778 9.915 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 -9.225 -8.724 -0.732 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 -2.060 -2.082 0.716 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 -12.396 -4.330 6.427 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 -5.025 8.105 -3.154 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 -5.459 -1.555 2.225 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 -14.105 2.295 -18.335 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 0.263 -21.168 18.003 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 -0.753 -1.146 -4.797 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 -4.478 -10.563 -9.593 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 3.782 10.041 3.319 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 -2.475 -0.640 -0.596 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 6.666 9.776 -25.333 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 -21.596 9.737 -2.643 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 1.109 -8.117 2.137 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 -2.535 30.194 15.686 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 -7.784 -26.747 -18.211 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 -0.479 2.163 -10.112 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 10.351 -9.459 6.106 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 4.000 -6.945 4.526 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 -0.356 2.986 -0.154 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 23.238 -28.034 28.535 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 0.800 10.004 14.830 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 -0.311 -2.490 3.401 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 3.248 6.021 28.913 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 3.177 -8.173 -6.508 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 0.182 6.332 2.325 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 7.591 15.394 -0.544 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 -4.030 7.038 6.753 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 -0.814 -2.378 2.278 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 -2.801 -13.719 8.995 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 -5.092 -11.189 13.306 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 -2.567 -3.167 8.255 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 -17.260 13.120 -12.024 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 -6.963 -23.863 34.855 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 2.950 9.590 -1.462 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 -13.137 0.019 -8.973 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 -4.842 2.486 -18.416 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 1.430 0.558 -3.642 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 4.849 -11.582 5.824 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 -2.458 -14.089 -10.271 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 5.700 7.572 2.518 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 2.911 7.829 21.978 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 13.111 9.376 -8.815 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 1.046 2.199 -9.434 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 -7.885 -8.984 -8.414 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 -20.954 -24.073 -4.804 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 1.281 -2.109 0.025 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 -3.896 8.503 -6.680 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 10.185 10.180 -23.224 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 -4.988 -1.349 2.236 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 -2.326 2.510 4.304 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 -7.690 12.974 0.738 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 -1.730 2.871 5.361 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 -0.392 -0.028 4.005 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 -3.037 -3.297 5.178 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 -6.279 -2.478 0.460 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 2.025 -32.751 -20.735 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 -26.783 -6.217 -2.756 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 5.237 2.442 -2.570 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 13.047 -21.657 -9.646 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 -9.195 5.447 -24.655 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 3.150 4.564 8.342 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 -25.264 27.769 9.967 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 8.528 -9.666 17.862 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 2.609 -1.530 -0.223 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 3.723 5.740 -10.244 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 2.775 15.976 -20.350 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 -1.776 -1.506 0.359 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 -2.450 -7.284 -6.012 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 -2.713 -6.214 6.872 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 0.218 3.296 5.873 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 -14.355 3.477 11.868 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 1.741 -13.168 5.282 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 2.252 0.625 1.778 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 -2.297 -13.174 7.584 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 2.460 -21.367 11.133 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 2.762 -3.843 1.481 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 1.008 14.117 5.814 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 -7.422 -13.320 14.064 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 -4.670 -2.442 -5.031 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 18.670 -1.385 -16.675 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 13.365 -0.219 -12.475 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 0.550 -3.692 5.426 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 2.787 -6.251 -6.589 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 -7.563 7.184 3.572 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 2.175 -2.042 1.033 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 8.241 -8.806 -14.061 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 -15.605 -20.479 5.514 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 2.032 0.107 0.607 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 17.287 2.828 -8.675 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 15.881 8.328 -7.296 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 -5.130 -9.051 -4.265 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 14.025 6.642 -3.699 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 2.896 -26.139 -19.445 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 -5.261 -0.372 -6.324 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 -17.389 -1.463 -5.845 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 -2.562 -0.927 -16.712 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 -2.211 -0.652 -3.611 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 9.507 -4.779 -0.953 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 -2.364 11.118 7.528 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 -1.336 -6.444 -2.824 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 4.839 -16.288 10.833 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 -14.381 -6.517 -22.379 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 6.186 6.168 0.266 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 -5.835 7.239 12.459 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 -6.606 -1.449 -14.908 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 0.962 4.917 -0.990 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 -3.076 -7.762 -20.677 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 24.271 -20.727 10.804 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 3.262 -5.338 4.943 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 11.673 -3.102 -24.866 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 18.334 18.577 18.368 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 -9.098 0.273 -0.601 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 -11.401 -2.855 -7.863 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 0.099 -29.865 -33.111 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 -6.875 1.765 3.373 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 -9.097 3.443 -0.362 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 -7.632 -4.294 1.954 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 0.800 5.927 -9.134 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 6.957 -20.075 -0.082 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 -12.879 6.940 -4.316 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 2.251 3.788 4.089 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 -1.363 -0.374 -1.430 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 -3.445 5.157 -1.416 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 -0.565 5.862 2.822 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 -2.900 -0.460 -6.900 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 0.974 3.623 1.136 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 -2.736 0.829 -0.930 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 -0.990 7.674 9.057 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 4.479 -6.657 -7.658 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 -4.265 -4.953 1.941 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 4.907 -17.636 -0.401 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 -3.442 0.123 -14.056 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 -1.967 2.340 -1.163 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 -12.818 2.531 -8.546 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 0.768 -3.646 8.031 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 -2.161 1.646 8.494 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 -2.219 2.616 24.946 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 6.047 -1.720 14.193 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 2.940 -3.295 4.315 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 -1.445 -4.063 16.698 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 -7.289 25.145 -11.160 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 -2.506 -6.932 3.463 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 -16.105 -5.592 -0.792 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 -6.929 -17.576 0.161 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 -4.299 0.595 1.513 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 0.948 -20.759 9.054 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 0.955 -0.731 4.666 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 3.537 1.322 1.677 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 -3.230 5.324 3.778 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 10.493 7.822 -1.423 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 4.508 2.405 -4.853 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 -1.936 4.269 2.116 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 -18.583 10.759 23.288 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 -0.700 3.010 -2.226 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 -25.245 -7.177 -8.038 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 10.554 10.551 12.748 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 -0.957 -4.217 -5.050 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 -9.890 -3.910 6.562 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 3.139 -6.427 -4.034 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 1.149 -0.865 -2.971 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 -16.146 -23.481 2.454 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 22.214 6.489 6.462 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 0.200 -1.966 2.831 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 1.368 3.542 5.687 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 -2.049 -19.585 2.389 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 -2.884 5.085 -2.833 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 3.992 8.179 -8.006 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 -18.719 -3.786 0.167 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 -4.134 -3.877 0.895 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 -8.785 -12.411 7.892 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 -1.930 -1.707 -4.358 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 -0.525 -9.143 -9.395 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 -5.528 -3.301 -6.445 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 -1.920 -1.985 -9.135 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 2.768 -0.878 0.186 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 -3.209 -4.007 0.807 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 5.532 -1.164 7.013 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 1.120 5.329 2.346 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 -0.158 -6.169 12.221 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 20.697 -15.181 -5.587 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 -4.345 1.272 -4.898 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 16.502 -3.576 -12.917 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 -14.884 1.901 -2.501 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 8.600 -0.625 -6.278 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 -1.895 -7.687 -8.547 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 -8.237 -3.990 -3.925 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 -1.004 3.925 1.309 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 -2.499 20.093 4.749 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 1.225 -14.971 -3.168 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 4.279 -0.315 1.676 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 -2.001 -8.658 -2.792 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 4.258 -0.394 1.509 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 -5.389 10.345 1.220 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 19.790 7.434 -0.324 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 -16.501 5.737 -24.273 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 1.832 0.296 5.895 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 3.353 4.821 6.451 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 4.747 -0.237 5.624 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 -0.079 7.282 -1.455 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 13.494 5.806 -13.718 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 -18.022 15.588 -3.069 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 -0.258 -0.512 0.720 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 10.778 22.991 5.704 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 17.659 -16.109 8.942 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 4.657 -5.257 0.403 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 2.165 7.152 9.639 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 -2.805 -3.263 -18.318 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 3.227 -1.415 6.133 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 2.032 -2.402 6.660 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 1.635 -3.983 9.576 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 6.290 -2.987 -3.039 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 -4.848 -7.821 -3.386 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 11.134 9.895 9.845 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 -1.202 -4.300 -0.185 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 -0.469 -3.728 7.657 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 2.394 3.246 0.635 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 -0.323 -2.316 1.092 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 5.177 3.505 2.672 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 -2.664 -14.983 -2.251 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 -1.274 5.370 -4.065 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 -6.881 8.980 -1.959 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 -12.617 12.170 7.548 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 0.555 2.625 -0.515 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 1.130 -0.120 -2.548 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 3.115 16.527 28.429 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 -3.115 -4.036 5.439 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 -0.863 -4.837 -13.447 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 -6.182 -0.126 -2.751 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 1.131 1.673 0.456 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 -1.986 0.829 -8.257 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 10.351 4.850 16.104 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 3.700 -1.789 -3.733 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 9.616 -5.359 -11.688 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 5.904 8.160 -2.012 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 0.475 -6.548 -3.248 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 -20.441 -1.425 18.500 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 0.515 -4.755 18.994 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 -0.395 6.795 -2.091 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 -9.929 2.865 -3.292 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 -1.703 4.691 -1.288 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 7.628 2.358 -3.541 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 -3.191 -6.194 -20.835 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 -9.962 -3.520 -0.327 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 -0.528 1.939 1.198 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 5.445 15.117 -17.126 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 -7.531 -9.782 26.503 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 1.792 3.810 7.254 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 -4.571 9.279 14.833 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 2.157 -1.159 3.914 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 2.466 -1.018 -1.272 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 1.061 -3.263 -2.603 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 5.269 -2.674 -4.553 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 0.408 -1.353 -3.697 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 -2.695 22.805 -36.332 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 -4.529 5.489 3.135 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 -6.884 3.709 1.126 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 -7.647 3.258 -0.375 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 -8.104 2.678 1.714 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 -3.470 -8.446 0.218 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 -9.798 -4.502 -26.222 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 -14.924 -4.185 -6.405 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 4.044 -1.500 1.404 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 -0.999 -1.813 19.282 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 7.793 -18.861 -2.534 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 0.466 6.192 6.486 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 -3.053 3.216 6.847 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 4.646 0.065 5.115 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 -4.843 2.013 1.040 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 -4.573 -17.916 10.930 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 -4.152 22.068 -17.166 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 -3.459 -7.351 -0.689 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 -4.031 -7.901 6.645 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 -2.531 -10.174 -0.202 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 3.752 -6.673 -2.346 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 15.346 -7.763 5.907 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 21.175 5.613 9.999 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 1.419 -0.829 -2.395 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 -19.512 17.564 3.540 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 -1.354 1.184 22.332 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 -0.798 6.342 -1.377 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 1.754 -6.266 -9.143 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 12.357 6.743 -15.232 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 1.461 1.985 -1.134 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 -1.667 -3.756 -10.866 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 -4.486 8.026 12.441 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 5.566 5.482 -0.746 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 7.725 2.518 -3.697 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 6.930 2.024 -2.464 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 2.847 3.557 -5.781 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 -2.375 -9.444 -3.975 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 5.208 9.671 -6.523 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 2.467 -2.209 4.403 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 0.016 -4.366 23.056 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 2.063 -8.718 -5.903 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 5.097 4.254 3.965 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 -8.456 -0.514 25.049 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 12.054 26.163 4.929 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 -4.525 -5.323 4.970 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 -37.843 -5.898 -3.800 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 7.928 -18.349 23.395 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 -0.235 0.609 2.014 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 -4.251 -8.423 6.638 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 9.907 -0.938 -4.046 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 3.994 4.534 5.199 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 -10.426 10.038 6.800 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 -8.409 -14.625 3.706 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 -2.619 -1.556 -3.172 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 2.237 -11.997 -0.977 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 5.616 -2.445 7.158 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 3.871 0.458 -2.211 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 15.843 -3.241 15.329 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 -7.300 -4.373 4.678 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 -0.363 1.004 1.893 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 -5.608 -2.769 -1.077 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 0.134 -5.543 -5.787 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 -2.811 -0.652 1.647 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 -6.038 23.710 -5.692 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 12.965 16.142 -0.953 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 -0.994 2.748 2.899 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 6.501 2.076 -6.534 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 -0.632 13.533 6.024 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 -1.102 -4.657 2.156 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 -2.016 -5.499 2.970 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 13.508 -3.134 -16.963 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 3.898 1.656 -6.285 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 -12.600 8.085 -3.465 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 18.308 -2.226 -6.880 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 5.551 -2.255 -0.128 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 -14.928 -14.163 10.790 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 -12.585 20.969 -6.609 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 -4.432 -1.268 -5.443 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 -17.670 -11.722 -9.529 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 20.064 5.829 -6.821 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 3.424 0.587 -4.382 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 -1.994 -4.806 -15.645 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 -6.934 -2.395 5.381 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 -3.561 -1.986 -2.122 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 -7.314 -7.871 2.558 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 10.713 24.559 18.367 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 0.900 5.190 4.531 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 -5.824 -2.510 9.195 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 -7.971 -2.741 3.787 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 5.946 2.787 0.684 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 26.688 16.868 12.407 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 -10.996 7.257 4.443 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 8.262 1.781 6.339 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 8.592 -8.614 -13.067 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 -5.422 -4.528 15.544 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 4.401 1.966 -2.106 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 1.202 -5.638 -1.034 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 8.487 -0.492 2.817 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 -3.303 -2.555 0.433 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 -28.546 17.164 7.186 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 12.340 -4.100 1.598 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 0.873 -0.122 -1.024 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 3.148 1.239 0.649 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 -4.268 0.811 -8.470 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 3.913 -1.952 2.885 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 9.970 -16.948 15.755 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 4.146 -3.257 4.150 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 -3.132 7.434 -1.158 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 10.118 1.523 -25.698 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 -5.138 24.600 -8.495 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 2.871 5.547 -3.209 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 10.281 0.349 2.268 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 3.546 24.099 -30.238 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 -1.109 -2.294 -4.130 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 -18.770 4.816 5.825 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 4.504 9.063 8.501 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 -4.534 -1.862 -2.917 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 6.420 -6.448 3.415 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 -8.302 -14.664 3.798 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 0.570 0.356 -1.325 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 -16.041 -1.263 -1.767 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 6.269 7.345 13.773 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 -4.045 -4.975 1.273 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 3.765 -5.430 10.601 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 -7.695 -4.853 -3.630 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 -2.550 3.942 0.808 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 9.700 5.417 5.045 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 -1.598 -8.259 -4.888 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 1.987 -5.610 -2.742 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 -9.136 -3.176 -4.813 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 -25.332 -16.321 -0.929 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 1.116 1.098 -2.060 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 -9.161 0.917 -14.816 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 -1.555 -8.326 6.105 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 -1.674 0.934 9.217 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 -9.871 -13.364 30.090 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 -18.802 -16.467 -24.855 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 3.877 -0.750 2.944 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 -7.463 8.485 -5.773 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 -11.079 17.703 -29.856 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 3.133 1.064 0.795 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 -3.041 -7.431 -27.573 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 1.311 0.284 -0.212 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 -4.731 -3.234 -5.999 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 -4.258 10.295 -3.925 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 -13.176 -7.596 11.955 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 4.079 5.029 2.590 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 -3.325 -5.937 8.916 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 -5.712 -6.918 9.403 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 0.814 4.207 7.083 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 11.949 -15.328 8.728 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 0.057 1.291 -1.635 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 -4.118 -1.440 -4.176 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 -10.204 -0.148 1.295 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 -0.648 3.743 -7.253 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 3.516 2.665 -0.066 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 13.961 -20.862 -5.274 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 1.612 -12.755 2.347 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 2.180 0.468 4.850 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 -1.166 -8.932 -3.000 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 -2.014 -21.625 -2.808 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 1.584 3.707 5.858 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 -7.141 -19.935 5.845 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 18.412 -10.554 4.484 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 1.151 1.256 6.296 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 -2.117 -5.575 0.249 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 3.905 5.904 6.514 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 2.250 2.187 1.771 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 -12.752 7.270 -15.563 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 2.628 23.414 -3.530 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 3.293 -2.203 -4.050 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 -20.508 -16.862 -10.475 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 10.336 -3.782 11.377 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 7.675 -1.760 2.393 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 -10.498 19.306 -32.845 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 1.847 15.704 -44.537 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 7.613 1.560 1.090 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 0.724 9.272 -3.353 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 9.495 8.821 13.582 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 7.888 -2.815 -0.773 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 -12.635 26.184 9.630 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 4.665 -2.773 -2.300 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 -0.601 -0.785 3.264 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 -6.260 4.276 4.224 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 -4.944 4.662 0.129 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 0.461 1.931 -0.135 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 0.278 -2.189 -3.502 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 1.895 9.959 9.005 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 0.405 3.114 3.757 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 6.670 -8.507 4.417 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 0.264 12.206 -3.159 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 0.274 4.377 -3.858 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 -9.038 -4.750 -2.935 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 3.773 14.249 12.302 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 -1.304 -0.163 1.343 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 2.523 -4.578 1.015 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 -15.896 8.579 -2.088 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 -1.062 -5.142 2.233 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 1.247 1.789 -0.530 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 2.497 12.520 -1.840 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 3.091 -6.630 -6.099 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 5.890 11.148 29.330 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 -9.508 11.627 8.411 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 4.699 5.102 5.244 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 8.853 -1.099 -9.072 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 6.805 5.984 0.267 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 5.323 -1.936 -3.695 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 -18.310 -5.069 -3.365 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 -11.660 -12.999 1.375 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 2.079 4.786 -4.206 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 -7.512 6.328 -3.870 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 25.288 -0.042 -6.879 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 0.415 -1.600 2.653 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 -4.091 -0.455 1.087 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 2.078 4.569 0.526 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 -1.217 4.714 2.276 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 1.477 11.832 25.109 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 -23.097 17.067 1.110 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 -3.313 2.311 -1.912 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 -12.131 -1.616 12.225 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 -1.986 -2.424 4.962 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 8.517 -1.513 -4.222 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 7.458 24.272 -25.091 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 -11.387 -2.118 -10.888 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 3.603 4.441 -1.688 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 -0.219 -9.547 9.057 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 -23.593 19.349 6.007 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 -4.123 3.211 -7.330 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 12.600 -15.470 -10.758 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 -10.324 -0.106 -14.365 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 0.676 4.770 5.465 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 -10.733 -9.624 34.100 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 12.430 -9.995 2.121 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 -2.927 2.660 6.391 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 3.249 24.920 4.658 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 -3.828 -5.337 6.697 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 1.707 -0.486 2.242 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 4.381 6.520 -3.385 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 -6.680 0.240 1.871 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 1.720 0.604 5.187 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 8.250 4.360 20.475 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 -5.167 -12.267 4.666 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 0.269 1.156 1.078 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 -3.730 4.593 0.181 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 3.243 3.128 -11.477 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 0.510 5.967 -4.154 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 -13.072 20.841 0.258 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 8.951 -1.562 12.133 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 -5.618 0.692 -0.473 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 -2.097 3.598 -1.734 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 7.424 9.767 -1.766 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 -7.371 -0.076 3.315 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 16.956 -16.945 -6.842 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 3.945 28.080 -5.591 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 -2.197 -1.489 1.737 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 -20.762 0.891 7.834 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 10.648 13.659 20.570 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 3.817 0.652 -2.471 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 16.093 -10.788 7.336 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 -8.023 16.831 -13.814 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 -1.074 -3.539 -8.269 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 -8.260 -16.022 19.443 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 -3.974 7.000 -8.751 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 -1.360 0.597 1.235 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 -7.593 4.832 -6.368 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 12.879 7.236 -0.973 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 1.054 -5.434 3.856 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 13.481 17.012 -15.461 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 6.659 9.769 -7.782 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 -0.397 -3.332 -0.057 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 4.275 -8.568 -2.175 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 -6.805 2.857 9.717 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 0.729 5.907 -5.485 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 -9.710 -31.257 -1.265 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 6.982 6.584 -14.366 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 6.413 -4.765 -1.378 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 -3.706 0.667 0.357 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 14.177 -10.026 -3.794 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 1.523 -1.941 -3.656 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 4.121 10.289 -6.393 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 -0.333 -13.880 0.708 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 0.600 -3.350 1.880 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 14.411 2.648 -8.924 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 13.560 -9.155 -5.812 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 -1.351 3.328 0.429 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 -16.097 -8.124 4.000 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 5.761 -23.940 3.614 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 -1.480 3.941 0.920 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 3.255 -12.917 -1.705 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 14.605 9.645 6.320 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 0.262 -0.333 -1.339 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 4.004 18.166 -2.342 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 -3.888 -12.549 0.807 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 1.137 1.758 2.074 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 -8.614 -21.615 -2.471 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 -8.661 -9.461 23.365 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 -0.005 2.355 1.227 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 -0.014 -4.242 -10.500 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 1.249 15.154 -7.843 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 3.746 3.663 0.247 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 -3.721 -14.446 11.954 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 14.353 24.609 10.175 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 6.491 -1.205 -2.214 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 17.279 -1.592 -18.361 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 0.513 -9.028 -9.135 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 2.310 -2.006 -4.828 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 9.568 22.193 11.556 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 18.059 -0.024 -25.350 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 3.961 1.131 0.342 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 0.944 17.431 -7.638 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 3.314 -3.887 4.726 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 2.206 -6.995 -0.261 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 9.868 -7.221 8.158 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 5.850 3.032 -4.120 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 0.795 -0.370 -2.220 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 4.555 -11.237 -16.905 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 2.709 -0.990 -11.416 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 -0.067 -2.559 -1.348 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 18.373 -0.015 -8.316 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 12.135 11.764 -4.426 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 -2.456 6.534 -0.607 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 -1.864 -5.700 7.291 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 2.024 20.567 10.852 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 -0.773 -0.307 2.685 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 3.524 3.873 8.265 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 -3.264 -0.110 -10.525 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 -1.405 0.194 10.640 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 7.353 1.492 20.115 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 -13.680 -2.951 -2.730 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 -5.792 8.050 1.275 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 -7.742 12.149 2.181 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 -19.912 -1.155 13.098 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 -6.069 4.754 2.739 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 -9.155 0.514 14.504 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 0.051 -8.629 5.372 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 -1.700 1.990 0.051 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 2.842 -8.134 6.171 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 13.868 0.791 5.680 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 5.007 1.183 5.257 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 16.662 7.902 -4.462 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 20.369 -8.045 16.922 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 4.591 -0.883 -1.926 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 18.991 -17.939 0.525 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 -3.163 -34.570 -11.487 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 1.439 -2.457 -0.196 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 2.283 16.613 -5.784 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 -7.958 3.139 -6.281 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 2.728 0.242 -5.583 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 1.177 8.947 -3.581 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 32.642 12.746 4.982 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 3.313 3.689 0.270 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 -15.812 -3.948 8.263 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 -9.208 -4.482 13.330 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 3.926 -0.426 2.453 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 5.805 21.817 -3.761 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 2.495 -11.100 -8.455 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 2.273 6.976 7.005 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 28.770 8.397 -8.675 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 12.706 -10.298 38.894 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 2.418 -1.102 -3.113 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 -2.046 -1.125 5.672 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 1.731 -1.278 14.874 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 4.201 5.313 -1.202 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 6.638 11.295 1.574 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 -9.664 5.854 -3.641 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 -0.289 -3.613 3.927 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 -2.907 -15.843 5.883 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 -4.622 -9.240 13.450 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 -1.430 -1.510 0.792 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 2.685 25.622 5.222 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 -12.167 -15.296 -5.327 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 0.348 -1.809 4.021 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 -18.357 6.123 25.759 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 1.172 0.017 7.763 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 -0.498 2.999 -2.380 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 -7.307 -38.773 -13.268 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 20.406 5.862 16.926 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 -6.251 3.353 -3.823 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 -3.405 -6.169 9.840 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 4.986 -1.961 -7.187 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 -1.324 5.469 -7.060 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 -15.973 -5.548 2.320 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 8.183 3.792 0.101 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 -2.075 -6.107 -3.488 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 -28.318 -2.212 -24.239 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 -0.006 6.850 -5.489 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 0.237 3.744 2.570 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 -1.725 -4.875 21.145 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 -3.958 1.435 4.330 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 6.127 -0.528 -7.925 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 1.644 0.613 -8.045 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 11.296 1.912 -1.557 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 -1.065 -1.780 -1.048 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 -7.119 -6.449 10.044 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 2.163 -19.796 6.905 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 -2.811 -1.873 -1.238 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 -2.646 -0.351 1.440 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 -4.840 -4.561 -11.124 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 -1.141 -1.649 5.863 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 -2.133 -35.640 2.932 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 6.523 30.796 0.946 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 2.819 -3.365 3.505 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 7.162 -14.428 1.430 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 7.399 -8.082 2.697 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 6.161 -3.534 6.731 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 2.879 -3.566 8.530 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 8.880 -9.276 -2.987 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 -1.157 5.164 1.524 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 -6.957 5.629 5.025 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 9.949 12.870 0.205 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 -0.882 6.536 -3.121 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 -6.361 5.643 -4.303 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 0.865 -12.277 -4.411 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 2.361 -0.375 -2.486 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 2.257 2.419 11.648 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 -4.215 -3.735 -18.922 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 0.675 2.829 1.175 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 5.368 2.982 -12.613 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 1.324 2.472 24.962 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 1.968 -4.426 -2.259 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 1.432 4.648 0.533 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 8.170 6.547 -15.780 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 4.477 -0.440 6.002 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 13.175 5.923 21.638 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 -22.279 13.589 -8.602 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 5.984 -0.163 5.765 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 19.653 7.405 9.084 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 -8.409 5.642 -5.127 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 -1.970 -0.882 1.264 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 -12.258 -4.335 -10.165 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 22.679 2.229 25.866 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 1.203 -5.162 -5.142 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 7.563 -8.627 3.252 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 8.150 -2.700 -4.257 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 -3.569 -3.487 11.608 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 5.982 5.836 0.966 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 2.807 10.458 -5.376 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 -1.313 4.654 -3.430 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 -8.320 10.928 -0.619 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 -3.068 11.089 5.247 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 6.711 5.124 1.237 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 -0.599 2.355 0.990 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 -23.704 -17.435 -2.088 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 5.935 -1.641 4.717 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 2.135 3.854 10.041 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 10.040 0.733 4.592 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 1.267 -2.973 -0.538 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 7.687 -9.684 -4.565 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 -0.855 -1.763 3.767 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 -5.834 -3.516 0.018 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 -3.182 -4.909 3.911 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 -9.094 -4.343 -9.864 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 -4.380 1.124 -0.856 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 -2.007 -0.635 -2.970 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 0.678 0.471 2.347 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 -0.737 -0.829 -0.202 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 5.887 12.553 -11.688 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 -1.557 -12.110 8.971 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 0.791 1.816 2.789 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 -9.971 13.706 -8.452 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 7.883 1.776 8.396 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 -2.809 -0.289 6.143 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 9.953 6.505 4.813 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 2.959 24.085 -1.483 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 -1.214 -4.868 3.808 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 17.239 0.390 -17.852 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 -0.455 5.206 -1.288 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 -4.060 3.642 6.025 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 -4.880 -1.728 -0.800 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 -5.237 1.091 7.641 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 5.131 -1.770 3.834 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 6.779 1.430 -4.761 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 8.903 2.006 -4.300 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 1.006 3.295 5.887 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 28.768 -9.057 9.074 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 -3.083 2.727 4.065 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 -0.737 -1.686 -1.122 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 -2.494 1.430 -0.571 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 -2.649 -0.730 0.223 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 -7.937 4.097 4.457 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 -1.554 -11.110 -3.701 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 -13.428 11.840 -2.938 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 -4.821 -0.438 5.572 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 -27.662 6.278 -1.173 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 7.033 3.449 -8.696 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 -4.319 -3.769 0.558 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 0.290 0.432 -6.571 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 4.649 -4.035 -9.565 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 -3.735 -3.219 6.139 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 5.309 -4.835 5.257 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 24.892 -0.934 -4.828 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 4.568 -1.176 -1.476 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 -9.692 -12.461 12.305 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 -1.591 15.461 0.772 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 -4.948 6.684 5.656 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 1.679 -14.478 2.901 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 1.569 1.915 26.190 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 2.552 5.782 -1.756 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 -1.719 24.426 -7.672 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 10.558 6.736 -37.794 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 3.064 0.618 5.487 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 -4.689 3.881 11.459 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 5.711 -13.908 19.898 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 0.799 3.535 3.057 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 -17.463 34.460 -1.241 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 -0.320 -2.725 -9.339 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 -0.042 -1.778 4.758 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 7.787 -4.818 13.352 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 -8.280 -8.745 -9.512 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 3.488 -5.247 4.641 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 -16.460 -16.399 -3.924 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 13.775 -7.343 -0.203 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 -1.518 2.264 -0.441 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 5.670 -5.654 9.099 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 -7.492 10.872 -14.489 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 4.137 -2.941 6.916 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 -3.029 -10.782 -0.605 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 -3.628 5.029 11.456 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 4.515 -3.064 3.278 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 0.392 2.168 8.390 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 -7.642 7.998 -13.955 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 -1.430 4.348 1.379 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 -3.816 7.487 12.241 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 -11.030 -14.438 0.063 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 -2.942 -3.578 7.445 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 1.367 2.597 -9.910 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 -3.769 -14.988 27.951 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 -0.736 -5.364 2.440 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 16.404 -12.607 -28.191 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 8.068 5.769 46.782 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 6.046 2.201 -6.734 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 -23.257 -0.411 -8.832 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 -4.875 1.650 -1.583 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 -0.455 -0.437 -0.786 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 -9.465 14.687 -28.793 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 5.971 -4.796 -3.911 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 -4.333 4.758 1.336 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 -0.942 14.395 -1.680 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 2.353 -25.993 -11.323 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 -0.390 2.417 -0.053 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 -0.923 8.308 15.121 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 4.403 -5.033 3.976 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 4.142 0.834 -0.574 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 -16.478 -7.403 14.529 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 27.237 16.359 0.180 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 3.753 -6.448 4.279 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 25.354 -9.492 14.673 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 31.015 5.642 -5.292 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 0.139 3.426 8.416 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 8.513 9.176 15.372 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 -21.390 10.038 7.190 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 9.113 -1.052 0.317 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 -5.047 4.316 1.114 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 2.760 11.854 -4.778 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 -2.415 3.814 2.115 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 -7.731 7.529 2.807 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 5.047 -8.499 13.355 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 2.553 7.796 0.694 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 16.758 4.432 12.759 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 -12.055 30.089 14.710 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 -5.167 -0.700 -3.530 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 -2.899 -7.968 -19.392 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 16.762 -16.300 -11.655 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 3.946 -4.306 -3.220 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 19.155 -21.078 -21.714 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 -7.363 -20.552 -4.782 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 3.870 0.684 5.800 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 0.104 5.834 2.863 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 -2.438 8.080 1.554 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 6.778 -8.326 -1.552 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 6.758 10.673 -8.901 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 -0.587 -21.599 2.554 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 5.288 4.776 -0.785 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 16.842 0.121 -5.653 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 -10.049 -36.722 11.597 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 -1.296 -2.499 -4.220 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 -9.657 -5.048 4.250 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 5.278 22.121 -10.434 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 2.070 -4.215 -3.214 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 15.258 -3.950 -5.931 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 -7.725 -14.260 7.932 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 -1.268 3.267 -0.873 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 0.999 3.784 1.768 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 -3.195 4.913 -2.405 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 -1.560 -2.526 2.627 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 14.108 1.368 -6.364 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 4.707 10.026 -5.020 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 -2.235 3.163 2.288 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 8.867 -2.770 -7.188 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 15.633 19.823 11.639 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 -2.141 -3.343 5.443 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 -10.282 -1.118 8.486 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 0.941 -4.312 6.018 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 4.713 2.176 -0.080 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 16.168 13.191 -4.229 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 14.326 7.702 -0.522 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 5.607 3.887 -7.946 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 -0.004 -3.192 13.666 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 -22.107 -14.083 -20.168 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 1.863 2.964 1.687 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 -7.976 -20.259 -11.885 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 9.736 20.327 -18.204 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 0.205 -1.087 0.176 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 3.368 -19.168 1.029 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 -17.113 9.591 26.143 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 0.112 5.630 -2.392 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 1.591 7.948 1.036 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 -0.540 1.810 15.374 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 1.016 -0.828 0.064 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 3.818 0.756 6.182 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 1.742 2.973 2.045 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 -1.978 3.272 -5.853 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 9.087 -1.862 7.704 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 28.334 -9.997 4.654 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 6.148 0.776 2.725 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 -4.557 -9.483 5.863 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 19.697 -3.211 11.883 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 -7.217 3.370 -4.497 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 -5.755 3.424 -4.282 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 -10.623 7.434 7.146 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 1.831 -4.265 -1.862 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 13.533 14.107 -6.548 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 2.847 -0.136 6.686 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 1.112 2.015 -1.111 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 22.948 -2.698 8.798 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 1.643 -3.700 -28.144 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 -1.365 2.688 -5.494 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 3.500 -4.999 1.057 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 0.539 2.721 3.358 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 1.630 -1.528 -5.437 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 18.434 -20.806 -6.089 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 14.029 -16.437 -2.528 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 -7.015 -3.872 3.527 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 7.938 -20.274 -2.681 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 1.542 -9.939 1.971 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 0.720 4.837 0.722 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 -10.941 -1.689 2.442 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 8.700 4.064 -5.256 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 2.009 -0.892 4.149 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 -0.327 13.550 20.280 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 1.134 4.170 8.203 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 1.568 -1.600 4.567 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 -6.470 9.173 -5.973 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 2.464 -2.307 -0.162 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 1.559 6.542 -4.185 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 7.766 9.423 -4.622 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 -2.390 -0.546 -10.358 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 -0.488 6.516 -2.336 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 5.401 -12.763 -20.683 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 1.375 -4.352 -5.493 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 1.164 -2.519 -0.987 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 -1.493 -1.061 7.335 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 8.710 -10.956 -28.317 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 -0.736 1.377 -8.483 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 -11.033 20.762 12.568 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 13.811 -3.022 -1.228 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 3.996 -2.229 -4.847 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 -0.388 -12.292 3.849 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 -3.854 -9.291 2.094 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 -4.970 -1.151 -9.537 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 2.515 -1.079 -7.006 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 -15.725 2.544 -7.455 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 -0.472 2.331 -5.025 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 -3.342 12.577 1.625 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 6.410 -0.046 -7.005 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 -2.173 -2.379 4.365 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 0.400 -0.389 -1.642 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 -12.538 1.970 11.418 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 1.849 -2.348 -5.881 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 -4.526 -5.958 -11.748 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 -15.543 2.847 -0.987 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 -3.448 -0.619 -2.420 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 -2.764 -1.551 -1.220 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 -14.278 1.265 -1.211 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 6.943 -3.043 0.018 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 18.680 -7.969 -16.058 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 13.125 14.329 7.898 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 -3.851 6.232 4.487 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 6.483 -9.471 -5.656 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 16.645 13.455 -21.462 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 5.561 -4.648 -4.750 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 3.751 -1.721 -0.469 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 2.305 -12.812 9.236 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 2.690 5.435 0.038 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 0.453 -18.361 16.706 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 -21.172 4.974 -9.160 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 2.861 4.492 7.539 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 -13.808 10.266 -11.432 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 5.232 -0.419 15.933 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 -4.570 6.071 1.700 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 4.832 14.515 2.222 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 -35.415 13.645 7.596 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 -2.061 3.424 -4.600 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 4.973 6.977 -20.487 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 -5.353 1.352 4.058 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 2.820 1.699 -1.350 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 -8.062 0.832 -22.374 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 7.787 4.243 1.644 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 4.361 -11.091 -3.390 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 -1.274 -14.204 8.299 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 11.326 0.489 -13.147 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 -3.354 -5.103 -6.590 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 -6.948 -3.805 -3.568 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 -0.822 -4.381 -7.058 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 2.229 -1.186 1.797 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 -2.130 15.409 -40.995 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 8.913 -6.246 3.030 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 -1.384 1.631 -3.785 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 -10.933 -7.779 -17.285 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 -2.187 1.341 -7.205 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 -1.975 2.028 1.858 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 16.955 -16.544 1.420 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 -38.342 14.550 1.808 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 2.538 -6.880 0.422 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 -4.579 -3.087 3.647 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 2.119 -13.709 10.198 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 0.530 5.183 2.029 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 -5.275 15.606 16.797 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 18.750 18.627 -7.964 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 5.089 -4.247 -3.294 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 2.386 -15.682 32.593 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 4.798 -0.001 1.186 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 1.799 6.500 -3.588 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 -4.560 19.482 0.404 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 -12.035 -5.463 17.653 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 -3.083 2.923 -1.875 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 5.296 -9.228 -9.588 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 -14.083 12.772 -13.652 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 -2.236 1.104 -4.373 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 -11.790 -0.958 -5.716 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 2.141 1.791 -2.841 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 -0.484 -3.834 -5.301 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 -3.089 -8.441 -8.459 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 0.090 -7.813 -8.040 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 4.022 3.931 3.219 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 1.660 -0.873 26.095 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 16.178 -2.413 -6.819 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 -2.154 -6.177 -8.148 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 -2.055 9.818 -15.042 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 4.203 27.927 -15.803 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 -2.680 -1.852 -2.550 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 11.791 -4.581 -7.487 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 -2.435 -13.279 0.043 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 -1.931 0.181 1.301 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 -10.400 12.956 8.822 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 -3.990 2.038 -14.811 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 4.618 3.027 -1.613 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 5.363 11.401 -15.308 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 7.263 7.883 -15.867 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 -1.764 -5.734 8.445 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 11.146 -7.617 -2.074 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 9.314 -4.932 -0.739 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 -4.064 -0.356 2.165 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 0.161 -4.165 -2.112 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 1.417 -7.679 -2.810 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 2.358 -1.731 1.195 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 -3.865 18.352 -0.855 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 11.437 -11.749 13.778 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 -9.633 -1.274 0.054 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 -10.369 20.033 5.520 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 -7.146 -3.207 -0.681 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 -2.358 -1.530 -3.342 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 0.055 -1.532 -3.852 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 -0.313 -6.714 14.813 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 -3.052 0.141 1.847 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 -12.875 11.745 -14.823 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 -16.241 -7.286 -2.965 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 -6.221 5.612 -3.356 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 9.573 2.258 -14.187 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 -5.320 8.141 -1.430 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 1.955 3.573 -1.811 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 12.940 11.619 6.618 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 -28.526 1.556 -7.731 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 -2.928 -2.154 -2.645 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 -7.442 -1.248 4.624 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 -5.442 -8.911 -5.517 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 7.303 0.557 -0.219 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 11.067 4.919 15.894 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 -2.871 35.944 35.609 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 -0.508 2.306 -1.924 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 0.941 1.245 2.468 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 -10.177 11.479 14.477 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 0.902 -1.737 0.353 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 9.671 -2.146 -6.250 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 5.288 7.108 -7.781 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 4.067 7.438 0.194 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 -3.943 -8.489 -18.507 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 1.252 0.764 -17.592 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 5.545 -1.943 2.442 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 -8.355 -20.652 0.440 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 20.833 2.686 20.175 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 -3.351 5.085 -4.471 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 21.955 -32.938 -1.485 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 -8.787 12.474 -5.110 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 0.680 -3.159 2.106 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 -7.513 -23.341 4.653 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 7.612 14.076 0.488 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 -3.020 0.940 -0.040 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 3.273 -12.974 -8.978 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 -8.044 11.430 6.636 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 3.705 -3.436 -5.466 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 4.352 13.358 -14.957 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 30.079 -8.336 2.974 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 2.284 -2.344 4.282 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 7.642 -31.390 4.166 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 -3.148 1.304 -11.868 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 -5.268 1.441 -0.493 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 -35.363 5.394 11.080 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 -8.368 -15.971 -26.627 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 2.632 -0.211 0.336 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 27.094 -4.684 -15.725 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 12.718 -7.122 -5.359 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 -0.000 -1.118 1.906 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 -0.224 -1.435 4.311 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 -22.835 13.273 -8.635 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 -2.465 1.201 -6.237 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 3.216 -2.589 -1.713 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 -8.004 4.354 -10.210 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 -3.575 -6.926 1.030 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 3.987 -13.217 -2.283 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 1.211 0.063 -10.729 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 -3.813 4.945 -3.382 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 -1.759 20.847 -4.039 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 7.069 4.683 -5.309 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 3.668 4.125 -2.063 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 -5.522 -1.863 -2.987 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 19.337 15.267 -1.192 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 -1.292 0.528 0.972 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 -0.199 -7.682 37.392 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 -6.047 23.207 -1.641 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 2.337 3.947 0.690 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 -1.212 -2.337 1.672 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 13.277 -13.269 20.391 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 -4.814 -2.737 5.707 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 -25.990 17.137 3.307 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 -9.758 -10.657 5.321 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 0.261 1.594 0.116 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 -13.817 -2.402 10.521 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 8.199 25.695 5.235 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 2.300 -7.622 -1.573 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 2.459 15.426 1.259 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 -11.916 -7.679 -24.569 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 -6.226 2.172 2.338 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 9.829 21.580 21.558 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 -5.603 -4.967 19.602 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 1.211 -2.188 -2.172 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 -1.600 -0.142 9.038 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 2.947 0.010 -2.857 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 1.764 2.252 1.286 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 -26.130 9.100 9.968 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 -0.127 -14.884 15.164 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 -2.909 5.890 0.940 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 -12.763 6.009 -1.563 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 3.938 11.011 3.362 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 0.201 -8.456 -2.098 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 -6.835 -3.024 -4.743 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 0.291 -5.054 5.711 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 2.340 2.259 -7.836 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 12.703 0.410 -15.808 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 0.172 3.131 -1.249 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 -2.511 -0.693 1.852 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 3.142 14.707 -0.594 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 8.474 2.035 4.341 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 1.117 -4.895 -0.035 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 -15.621 -6.015 -9.820 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 17.148 -15.343 -9.643 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 -2.540 1.687 -1.488 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 -4.967 -21.563 10.448 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 -13.107 20.122 -8.889 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 0.879 -7.607 0.459 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 0.032 -2.940 -4.687 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 -11.161 -7.065 9.425 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 3.946 1.296 8.162 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 14.581 -11.752 -4.020 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 -0.026 -9.847 23.696 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 -5.627 -4.774 1.263 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 -11.073 -14.864 9.529 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 12.930 21.487 -1.197 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 1.588 -4.399 -0.481 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 3.901 6.824 -10.909 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 15.061 -6.651 7.205 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 -3.116 -5.826 2.272 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 -11.633 -7.249 -4.690 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 4.972 19.631 15.205 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 -1.311 0.284 -0.700 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 4.986 25.197 -11.980 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 14.976 4.383 -1.021 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 0.033 -0.894 5.146 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 23.106 -5.401 -1.815 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 -13.437 -2.865 -8.007 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 -2.160 -0.741 0.425 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 13.368 14.275 9.359 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 -0.129 15.763 35.583 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 -5.592 4.153 1.674 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 1.167 5.260 -6.501 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 0.385 11.050 8.334 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 4.610 0.066 3.295 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 11.124 -19.253 25.833 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 -1.819 11.020 14.658 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 7.783 2.664 -4.374 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 3.362 -3.583 -4.357 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 -4.463 -5.593 25.237 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 -0.741 -3.713 -0.560 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 -15.837 -4.427 -5.137 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 11.559 -7.357 -5.433 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 2.076 -1.202 -7.236 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 13.918 6.321 2.429 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 7.021 -4.643 -11.132 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 -3.071 -5.029 0.550 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 28.240 16.084 -5.403 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 -21.019 1.644 -26.670 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 -0.324 -7.644 5.073 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 11.246 -2.524 6.171 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 4.742 -14.141 -0.845 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 -0.577 3.442 2.727 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 -13.124 -3.025 5.115 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 -15.011 14.331 3.897 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 -4.008 -3.163 -1.251 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 -3.398 17.187 12.900 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 -11.753 -3.740 -20.754 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 -4.333 5.381 3.211 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 -5.641 17.319 9.433 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 5.136 1.416 8.335 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 6.556 -3.159 0.493 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 -6.657 -0.136 11.793 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 10.629 13.137 -3.102 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 -7.471 -5.211 -2.053 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 -8.850 -14.518 0.299 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 4.392 -1.762 -7.089 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 0.036 -3.827 -2.684 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 2.199 -21.986 -6.579 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 0.905 8.771 0.300 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 -3.983 -6.384 -0.082 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 -4.487 -4.832 -2.750 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 -9.104 -2.732 -4.369 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 5.527 1.932 -6.330 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 5.047 8.667 -7.261 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 5.131 -0.571 -3.419 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 -2.570 -3.915 -0.801 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 1.770 8.161 9.707 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 -17.034 3.609 -17.247 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 4.364 -0.851 1.875 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 -13.819 -6.884 -11.679 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 7.507 3.932 -12.793 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 3.664 -4.359 0.367 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 14.582 -3.594 -3.709 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 1.566 -17.154 -12.186 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 10.969 2.062 0.577 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 17.478 -4.947 7.101 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 10.332 -3.617 4.785 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 -0.377 2.605 -1.685 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 -10.928 2.649 -27.521 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 12.172 2.515 25.839 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 5.934 -6.335 1.730 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 -20.301 -2.953 -4.197 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 -6.753 -2.072 -1.359 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 1.431 1.506 -1.985 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 10.199 -5.695 18.906 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 3.339 -2.511 -13.729 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 0.971 -0.692 0.373 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 -8.023 -10.680 -11.739 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 -6.108 -9.593 -12.192 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 -2.513 6.421 1.960 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 -5.928 22.821 13.259 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 10.907 -0.623 -17.304 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 0.512 -2.135 -4.043 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 13.461 17.025 -17.752 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 20.841 -17.863 5.344 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 1.465 -2.736 0.810 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 -2.792 -2.198 -34.516 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 -28.904 -11.209 -9.449 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 5.434 0.724 1.962 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 5.940 -4.668 -4.316 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 10.504 -1.711 -15.156 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 -2.207 -3.556 7.737 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 -9.567 -16.991 9.520 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 -4.335 -6.204 1.447 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 9.527 3.680 1.676 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 11.640 -9.038 -3.778 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 1.548 10.484 -7.024 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 0.526 -4.448 -9.538 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 2.020 7.481 -15.242 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 2.064 -7.982 3.184 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 -3.527 -3.011 1.336 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 -7.861 1.073 -2.564 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 -0.055 -8.072 -1.825 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 3.564 2.612 0.616 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 -18.556 -21.117 1.998 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 -8.484 -13.691 7.225 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 1.157 1.916 -6.141 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 -8.444 7.073 7.841 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 -10.402 -19.253 5.924 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 -7.391 -4.053 1.602 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 -14.374 -0.759 16.155 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 9.461 -3.010 10.942 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 -4.172 0.733 -1.321 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 12.190 -6.635 8.645 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 -9.812 1.197 -5.550 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 0.005 -3.037 -2.464 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 -2.581 -0.645 -7.581 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 3.215 -5.971 3.987 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 0.738 -2.219 -6.049 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 -21.083 4.361 7.046 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 19.114 -5.485 -3.738 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 -3.122 -6.981 -0.351 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 -3.572 8.407 15.388 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 -14.132 6.642 -24.995 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 -6.554 -6.584 3.319 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 -6.860 -6.305 4.287 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 -3.835 -5.018 -4.152 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 4.291 -3.236 -2.405 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 -2.846 19.031 20.153 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 19.833 -6.940 -4.415 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 -2.034 -1.976 -2.557 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 -4.233 -10.539 1.446 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 -4.374 0.608 -11.802 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 -3.971 -5.261 -3.382 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 -5.272 -7.683 6.564 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 -4.304 -7.295 5.607 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 -0.922 5.801 0.320 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 0.036 11.387 25.382 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 -21.795 -4.635 2.348 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 -2.289 -4.428 -2.720 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 1.801 3.189 18.380 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 -5.219 -9.383 17.035 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 0.685 -1.315 1.878 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 -16.347 30.535 9.892 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 2.745 5.314 -22.976 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 6.136 2.628 -1.619 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 5.345 -1.260 -19.143 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 -5.185 -0.259 3.783 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 2.499 0.337 6.345 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 -13.420 -16.280 6.679 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 11.155 8.473 7.250 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 0.589 -2.741 -0.085 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 -3.959 18.478 -10.493 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 2.901 -18.312 5.875 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 -1.356 3.788 -4.821 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 -11.455 -12.047 2.752 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 10.006 -39.951 29.471 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 -1.388 7.043 -1.284 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 6.299 12.921 -0.520 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 -13.262 -3.241 -4.463 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 8.379 0.619 3.212 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 8.040 -1.723 0.304 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 7.301 14.171 15.544 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 4.913 -3.559 0.064 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 12.527 2.938 12.358 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 -7.010 -5.742 -0.251 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 2.004 4.365 -0.239 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 3.028 1.209 -1.648 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 -20.926 -27.704 9.453 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 6.684 1.541 -0.093 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 2.158 -2.097 -24.602 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 10.477 -10.830 -21.575 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 0.939 -1.970 2.106 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 -4.671 -9.450 -0.478 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 5.658 9.881 -0.126 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 3.288 2.755 0.835 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 -3.366 -5.032 10.883 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 -5.743 5.332 10.563 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 4.248 2.569 -2.975 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 18.090 -4.151 -26.839 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 -0.568 4.192 3.940 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 -2.197 0.289 -3.011 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 -8.668 -17.683 15.265 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 15.762 -21.397 -6.185 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 -4.143 1.611 0.776 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 29.042 2.740 7.886 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 -12.032 5.194 -9.020 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 -1.465 5.455 7.715 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 -8.654 -11.568 -13.059 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 6.331 -7.541 -26.196 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 0.671 -2.227 2.095 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 3.720 -7.132 13.942 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 11.820 1.549 -2.764 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 -2.070 -3.640 -3.144 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 0.281 -12.721 5.933 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 -3.658 -5.917 2.350 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 -1.092 -0.988 5.066 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 -0.171 -19.160 16.941 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 12.739 20.262 -4.696 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 -1.908 1.940 -3.376 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 21.514 15.423 -14.856 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 -7.760 -21.552 21.413 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 5.544 2.003 -3.710 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 10.238 8.081 -2.841 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 11.862 -7.394 -10.723 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 2.406 -4.505 -7.794 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 2.915 -5.577 -12.197 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 4.844 3.016 -11.743 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 5.601 -3.878 -0.545 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 7.871 -1.466 3.824 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 -1.540 -5.348 5.146 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 2.943 -1.259 -0.568 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 2.604 -7.579 8.432 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 3.282 7.426 10.628 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 7.934 7.071 5.272 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 -2.984 -10.280 21.686 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 4.430 5.613 6.724 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 -3.928 1.958 4.587 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 6.648 17.071 4.544 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 -3.308 -19.719 -4.856 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 -1.148 -0.674 -3.486 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 -8.895 -13.989 21.218 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 32.937 2.845 3.146 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 3.168 4.835 -2.465 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 -0.370 3.299 23.200 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 18.666 -3.522 1.770 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 2.243 -4.767 -0.406 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 6.095 -9.305 3.339 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 7.051 -9.765 0.331 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 4.881 -0.264 -0.981 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 1.081 -6.273 -8.217 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 -3.259 -6.383 -5.398 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 -0.495 -1.694 0.924 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 -0.225 -0.569 0.957 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 2.011 11.881 -1.721 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 3.314 4.457 10.830 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 -17.499 -9.384 -6.057 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 25.044 4.447 -5.988 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 1.186 -5.383 -2.782 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 -9.026 9.278 -11.685 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 -5.851 1.122 -3.333 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 1.054 5.023 0.533 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 30.006 -13.349 7.084 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 2.206 -6.975 4.095 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 -1.884 6.835 4.020 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 -17.372 9.749 8.021 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 -9.934 8.378 11.945 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 0.218 -0.424 2.593 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 3.852 -0.293 3.974 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 8.911 -11.666 11.414 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 -5.476 5.065 5.968 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 16.882 1.778 -4.953 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 -11.805 -2.995 15.871 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 -0.061 3.171 5.113 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 3.185 14.762 15.653 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 -16.253 3.632 -19.914 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 3.111 -4.369 -3.111 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 -7.713 -15.738 -2.228 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 -1.112 11.702 -5.453 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 0.161 -2.888 -2.930 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 -18.333 7.238 3.502 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 0.387 -21.940 9.272 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 -5.473 -3.662 -3.091 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 2.412 -30.364 -5.794 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 -2.148 12.030 2.920 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 2.464 2.153 5.524 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 16.428 -2.612 9.652 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 17.427 7.849 -9.907 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 -2.129 -0.414 -4.232 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 3.134 -2.575 0.450 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 -12.241 7.231 9.689 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 0.467 8.716 -4.545 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 20.292 11.580 -7.329 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 -5.740 6.499 -23.015 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 -0.375 -3.905 4.115 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 -4.562 -3.131 7.239 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 -3.488 -8.637 6.249 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 -6.542 0.408 1.999 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 -7.584 -0.624 7.381 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 -13.984 4.469 -0.222 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 -6.304 -0.342 -0.797 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 0.737 -0.560 25.177 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 -23.680 6.863 -1.041 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 -0.792 -3.201 9.184 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 -4.192 -15.825 10.290 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 -0.131 7.974 -1.369 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 -0.874 -0.139 5.247 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 18.923 -5.479 -3.557 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 -6.010 2.198 -7.767 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 0.346 -1.801 4.890 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 -11.802 11.834 7.178 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 5.970 -0.768 -9.364 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 0.289 0.172 -6.608 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 -7.033 12.468 3.303 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 4.258 0.650 -13.549 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 -1.713 7.536 -5.527 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 -3.538 4.146 -5.613 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 -4.848 -8.391 -0.865 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 -0.978 1.129 -0.852 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 2.183 -13.539 9.223 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 1.209 -8.676 5.208 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 6.016 -6.009 3.080 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 -12.128 4.594 12.023 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 14.052 -16.251 9.720 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 -0.053 -8.661 1.206 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 -0.607 -7.787 1.318 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 -5.083 0.426 -1.990 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 7.049 -0.805 -0.250 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 9.605 12.450 3.296 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 11.608 -8.748 9.550 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 -0.621 0.308 0.169 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 -25.939 -8.530 2.212 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 18.707 0.494 -5.410 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 0.433 0.631 3.057 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 -6.841 -15.335 -8.661 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 -19.016 -3.617 -15.297 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 1.625 0.144 3.830 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 -10.917 20.175 25.920 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 -3.193 -3.569 -10.952 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 2.465 -2.895 -2.371 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 9.406 -6.229 6.805 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 -10.659 -8.823 24.672 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 0.620 -1.446 -4.137 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 9.042 -21.384 8.690 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 16.708 10.794 -36.670 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 -9.771 2.837 -0.173 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 19.383 2.911 -16.633 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 -28.660 19.504 -14.760 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 -3.417 -7.858 0.752 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 -3.940 -10.656 16.740 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 -16.141 3.211 17.705 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 4.613 1.045 -1.733 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 12.041 -1.391 -16.173 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 -26.005 -10.839 14.377 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 -5.683 0.938 2.858 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 4.570 18.250 7.140 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 5.723 -14.959 7.920 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 -5.241 4.610 1.732 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 14.039 5.299 -6.000 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 1.145 29.147 -2.726 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 5.787 -0.230 -6.554 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 5.762 16.649 -3.464 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 10.405 -19.528 -1.693 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 -2.371 -8.552 -2.465 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 20.135 -0.018 -8.675 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 -16.375 -6.313 8.485 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 -3.477 -1.732 1.224 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 -14.144 7.693 1.556 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 11.291 20.673 1.841 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 0.918 -2.095 3.729 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 2.848 1.693 -0.747 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 4.436 1.861 -10.462 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 -2.366 6.804 -3.259 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 3.018 11.034 -6.748 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 -1.414 7.904 -3.540 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 5.319 1.297 5.046 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 18.202 8.749 -14.780 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 9.985 -16.795 2.682 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 -3.731 2.954 3.863 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 -2.474 1.886 5.204 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 -4.120 10.170 -4.442 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 -2.582 -1.591 -2.585 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 6.529 0.219 5.944 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 9.795 2.074 10.917 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 4.061 4.501 0.233 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 -0.915 15.615 0.761 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 3.177 -3.175 2.769 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 5.807 -1.982 -1.695 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 5.313 -9.525 -4.225 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 8.520 3.754 2.805 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 2.993 -3.126 3.093 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 8.061 13.484 2.174 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 3.391 -4.207 -23.075 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 2.324 1.900 3.746 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 -9.850 13.962 9.466 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 26.740 -17.538 1.776 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 -7.211 2.630 -2.919 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 -13.068 -6.206 12.320 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 20.932 -11.687 -33.391 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 0.268 0.513 0.504 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 15.517 7.421 -4.505 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 -1.143 -4.337 -0.708 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 -4.595 3.674 -1.763 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 15.009 -31.557 0.916 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 -10.689 -2.909 2.324 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 -1.462 -3.452 -7.283 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 -1.372 -2.140 -8.900 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 -0.604 -5.968 -5.161 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 4.806 2.260 -0.916 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 16.427 -2.915 -26.112 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 0.870 -17.159 3.542 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 -1.054 -0.027 9.006 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 -16.544 -1.773 4.521 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 14.268 3.581 -6.648 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 4.033 -1.265 1.850 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 -14.296 -1.192 8.391 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 8.082 14.098 -7.516 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 0.994 -4.827 4.494 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 13.390 7.453 -30.458 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 4.441 -0.184 18.892 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 7.330 2.797 -1.158 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 -3.806 1.170 3.553 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 7.042 8.034 0.826 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 2.794 4.857 4.613 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 -2.026 16.458 9.280 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 13.801 -5.808 -6.822 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 -2.965 4.127 -0.734 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 -6.463 11.255 -1.319 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 3.724 -3.104 22.712 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 -1.980 1.125 -1.031 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 -1.143 0.782 26.646 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 21.621 -9.845 -9.182 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 -0.132 -0.073 8.830 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 19.311 -21.564 -0.881 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 5.051 -4.295 11.774 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 -8.052 2.190 -4.457 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 -10.020 -0.819 -5.965 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 -9.439 -0.953 -6.439 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 9.717 -0.677 -0.709 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 16.896 -4.587 -13.408 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 24.309 15.060 -1.419 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 4.194 1.509 -3.323 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 -2.089 14.407 10.526 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 -18.861 24.273 20.635 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 -3.513 3.562 0.809 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 8.018 -10.650 0.573 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 -3.248 8.806 -18.774 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 -3.163 10.172 -3.798 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 2.641 1.319 -2.942 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 -1.567 9.226 -2.855 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 2.260 -2.841 -2.275 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 5.246 3.367 -7.893 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 -20.337 9.389 -1.137 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 10.828 -2.966 3.027 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 6.167 -8.259 29.081 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 20.822 -9.491 -4.182 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 1.371 0.609 -3.333 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 28.210 16.424 0.941 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 4.037 -9.651 -4.537 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 -4.260 -0.546 3.348 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 10.482 2.753 11.941 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 0.461 1.671 1.372 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 -1.802 -2.040 -1.075 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 20.167 6.117 -12.291 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 2.369 9.805 21.339 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 2.081 -5.061 -4.979 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 10.342 24.534 -16.310 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 -13.130 -19.386 -26.767 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 0.535 -3.174 1.868 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 12.801 9.108 6.440 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 -1.343 0.492 27.211 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 -3.716 -3.711 -0.672 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 5.095 -0.572 4.824 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 4.476 -1.964 2.469 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 5.304 1.930 4.346 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 -3.307 11.789 1.666 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 -0.080 -5.267 -3.380 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 0.808 -5.560 3.787 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 -21.869 5.629 -5.088 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 1.833 4.483 -10.773 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 2.537 2.185 -0.415 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 -14.564 13.665 2.511 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 0.830 4.272 -4.868 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 -4.708 1.220 0.322 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 8.715 -3.337 -9.724 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 3.953 -12.623 1.883 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 -0.932 -2.148 -0.037 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 -4.129 -10.452 3.689 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 8.400 39.651 -20.757 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 8.170 -8.306 -5.024 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 25.866 -9.794 17.159 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 -8.119 8.254 13.400 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 -5.940 5.077 -0.690 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 4.134 1.404 -10.132 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 -13.416 22.187 11.689 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 -7.959 -6.167 5.004 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 13.406 7.016 -16.007 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 -3.720 -3.784 0.950 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 -2.355 -1.288 3.770 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 -12.236 -6.523 26.135 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 2.656 -2.244 26.568 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 -4.204 -0.636 1.177 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 -23.475 2.661 -3.565 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 -42.281 -11.451 11.509 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 2.661 -0.393 -3.830 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 4.563 -3.060 0.735 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 8.520 -9.486 10.103 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 -1.564 5.878 4.434 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 -1.374 -13.050 -7.605 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 -15.871 3.520 -7.338 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 -2.868 -7.186 -0.263 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 12.394 -5.099 17.167 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 -37.710 23.690 0.280 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 -0.781 0.068 4.758 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 4.484 -18.020 -10.594 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 -20.573 -7.329 15.457 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 7.694 -4.350 0.649 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 4.733 0.242 0.516 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 0.385 -0.995 4.257 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 -0.648 0.047 5.855 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 -30.109 15.250 10.187 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 -5.382 -21.796 8.946 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 -6.022 5.782 -0.193 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 -16.839 -4.979 29.078 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 -10.021 37.616 -3.085 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 -4.276 3.469 0.809 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 7.704 10.686 -7.457 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 13.333 8.584 -8.848 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 4.570 2.940 3.634 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 -8.227 7.737 10.902 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 17.959 0.392 -1.160 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 -8.161 -3.586 3.840 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 -22.543 -4.290 -3.836 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 -10.749 10.261 11.778 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 2.035 -0.036 2.072 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 -10.693 -37.735 19.502 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 -3.771 -3.923 -25.678 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 0.882 0.147 -2.054 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 -13.451 0.055 -8.636 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 9.602 6.452 6.785 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 7.710 -1.645 -1.031 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 8.054 22.622 18.875 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 -15.746 -2.715 -23.394 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 8.122 -3.021 1.656 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 1.729 8.414 -15.633 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 -30.009 -7.909 5.560 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 5.034 -4.589 -4.075 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 -21.421 10.039 -7.760 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 -3.693 0.399 -6.392 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 6.262 -3.831 -4.366 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 -0.165 18.490 -8.037 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 -32.701 6.950 5.325 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 -2.537 -1.415 3.625 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 -4.218 -1.501 4.025 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 -6.675 -2.206 3.048 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 -0.729 1.578 2.179 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 7.398 27.778 -24.068 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 -9.706 18.001 15.359 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 -0.652 -1.289 2.215 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 9.604 -4.413 -14.944 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 4.143 -2.383 -5.050 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 -4.465 -1.844 -4.035 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 -13.466 -3.004 -12.860 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 -4.925 -11.870 -1.507 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 2.434 2.244 -2.575 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 4.469 10.804 1.902 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 -6.575 -23.963 -15.395 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 4.243 5.052 2.340 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 -1.185 -13.524 19.698 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 4.169 14.926 8.893 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 5.891 -0.370 1.912 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 1.816 -21.785 3.663 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 -0.813 1.554 -20.710 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 12.306 1.725 3.743 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 7.284 1.183 -1.800 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 3.164 10.818 -14.105 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 -4.482 -0.460 -1.403 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 -19.801 -16.360 2.541 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 -7.955 -18.006 -11.133 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 0.864 1.786 4.053 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 -45.971 -2.316 12.506 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 -10.439 -0.110 7.822 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 7.596 1.725 -0.421 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 7.013 6.316 0.286 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 6.243 -3.991 -13.376 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 1.433 4.663 -4.791 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 -24.909 21.318 -19.631 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 10.947 9.468 24.676 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 -5.084 1.894 2.519 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 -5.383 17.667 3.100 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 -5.086 -13.760 -2.285 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 0.265 0.886 5.340 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 -0.163 -1.742 5.065 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 -14.373 -18.783 51.626 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 -0.834 -1.654 -3.827 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 7.134 -7.979 0.871 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 -9.482 -13.096 3.917 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 2.964 1.956 -2.688 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 -4.535 -12.839 19.783 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 4.863 6.998 -13.657 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 -0.297 -4.753 2.728 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 -10.784 6.575 -0.795 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 1.810 4.262 8.061 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 -1.933 -0.786 6.050 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 22.268 -9.649 1.982 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 -2.202 20.363 -3.083 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 6.852 3.447 0.337 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 -6.347 0.128 -2.216 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 10.407 5.846 8.858 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 -6.226 -4.629 -2.635 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 8.586 -4.693 -6.732 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 -1.851 -6.279 -2.230 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 4.000 -3.143 0.445 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 1.758 -28.477 -6.434 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 3.969 0.535 -15.480 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 -2.196 -4.745 -3.689 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 -5.562 -11.412 -4.040 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 5.049 -2.487 -0.758 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 3.735 -0.575 5.935 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 18.814 -2.008 9.816 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 32.824 -7.855 13.797 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 8.017 4.974 8.159 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 -2.159 4.843 25.078 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 5.982 13.548 -6.373 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 1.326 -2.531 -4.324 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 5.332 7.008 -10.248 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 31.688 28.197 -10.161 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 1.376 0.124 -7.745 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 -4.661 1.952 -2.475 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 2.378 7.691 -2.562 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 -1.356 -3.874 1.462 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 -7.253 -11.556 -2.164 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 -3.216 -7.228 3.769 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 0.639 -0.114 -4.619 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 4.081 9.410 -5.896 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 -14.590 -1.213 11.759 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 -0.107 -6.522 -2.073 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 -18.290 -9.449 -23.295 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 -24.902 35.506 11.271 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 0.279 2.268 -1.354 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 -1.821 -6.318 7.335 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 5.318 -12.439 1.909 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 4.135 -6.910 9.136 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 -7.759 -12.739 16.180 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 -7.438 -15.472 -0.966 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 3.889 3.771 1.664 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 4.242 -18.859 -28.612 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 -2.252 10.718 -11.596 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 -1.755 -0.373 -1.387 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 8.511 9.307 11.761 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 11.962 -9.824 -9.451 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 -3.236 -6.259 -7.128 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 -28.297 -8.031 3.303 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 -26.248 -2.184 -7.623 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 4.028 -3.694 7.008 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 -5.235 13.391 -18.951 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 -12.983 -10.674 7.761 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 5.199 4.192 -1.540 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 28.392 -13.705 -11.993 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 12.247 -2.383 -3.276 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 2.233 -0.876 -2.072 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 -17.481 4.171 16.936 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 -3.855 9.792 -28.624 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 7.040 2.033 2.709 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 -10.376 -22.698 -14.574 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 14.188 3.655 -10.520 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 5.035 0.959 2.800 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 11.481 7.230 -10.044 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 20.903 14.538 -12.306 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 -0.546 -2.244 -1.733 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 -1.471 -1.051 3.671 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 1.028 -4.265 -21.388 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 -3.391 -8.876 -2.455 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 -5.011 -13.333 -2.247 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 -6.203 -4.210 -1.423 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 0.504 1.053 -3.431 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 -2.178 7.145 -1.525 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 -10.699 8.722 2.184 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 -3.496 1.112 -2.430 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 -13.768 8.018 -16.784 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 16.582 -1.527 30.021 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 0.814 4.829 3.758 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 -4.464 3.545 -6.466 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 6.513 6.786 15.067 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 -2.363 -1.789 3.253 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 -0.915 -5.025 -7.274 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 16.573 -25.595 12.887 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 1.801 0.504 -3.607 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 -18.420 -18.823 -5.431 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 2.930 -1.118 -3.680 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 0.778 -3.147 0.378 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 -7.895 6.445 -18.771 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 6.380 -43.068 0.545 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 0.580 -1.551 -5.840 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 -3.059 -5.786 10.671 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 8.328 -8.916 12.503 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 -0.412 -3.075 -1.363 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 -0.700 5.827 3.353 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 0.166 -7.073 -4.333 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 1.338 -6.072 -0.860 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 1.513 0.963 0.589 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 -13.192 -6.081 15.294 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 2.515 1.012 6.655 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 -2.705 -0.265 2.871 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 5.459 0.980 8.618 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 0.063 6.854 3.308 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 7.568 -15.949 11.401 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 25.693 11.737 -1.078 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 8.996 2.222 1.727 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 -1.879 -0.335 -22.032 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 7.292 0.995 -2.895 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 -5.439 1.070 -0.817 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 -2.686 -3.983 -14.061 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 14.654 8.052 -6.010 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 6.509 2.127 4.506 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 -15.787 0.218 2.449 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 14.391 11.164 -3.332 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 -1.155 1.254 2.778 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 1.029 25.072 10.365 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 8.276 -17.660 -19.821 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 1.773 2.082 -2.478 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 1.340 12.271 -21.695 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 11.421 6.613 -8.799 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 4.383 -0.930 -1.748 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 -14.217 29.350 13.394 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 2.912 -5.409 -9.280 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 -5.358 1.745 5.548 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 -7.455 7.260 2.497 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 -17.357 -2.021 5.748 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 -6.184 7.220 -4.162 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 5.875 -27.613 17.540 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 -14.343 8.950 -14.859 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 4.818 -3.211 -2.409 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 7.053 5.277 -16.287 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 4.722 -22.837 14.462 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 -0.171 1.889 1.139 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 -5.269 -4.770 12.299 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 4.828 27.001 -3.519 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 0.979 0.238 -6.820 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 -24.106 4.039 -0.035 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 -3.515 0.413 -5.584 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 4.122 1.738 -2.824 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 2.630 5.597 -12.241 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 16.524 26.763 -14.835 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 -1.454 -2.713 -1.844 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 -15.479 -11.906 12.772 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 -22.788 1.082 -3.068 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 -0.349 1.175 -0.056 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 -5.436 -16.160 -1.854 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 -14.407 9.104 10.502 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 -5.351 2.068 6.271 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 -5.175 -5.762 2.323 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 -0.981 18.622 17.715 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 -1.479 -0.597 1.567 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 4.658 3.046 7.429 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 14.182 18.965 -8.921 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 -5.283 -0.121 -5.166 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 -10.915 16.141 -26.904 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 -17.192 12.869 0.312 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 2.707 5.311 1.680 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 -7.748 8.626 -5.689 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 -3.387 4.474 16.743 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 2.757 -1.644 1.492 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 5.949 4.282 11.593 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 -5.331 -29.499 10.810 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 -2.362 1.220 -4.730 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 -9.132 21.666 -0.043 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 -9.761 -12.153 16.693 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 3.947 0.229 1.490 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 0.314 10.826 15.619 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 5.204 -1.638 1.188 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 -5.191 -4.617 -3.348 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 4.949 -3.419 -6.347 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 14.642 -5.772 -1.609 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 -0.522 -0.661 1.941 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 -2.275 1.059 -3.686 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 -3.066 0.345 6.388 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 -4.429 4.179 -2.057 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 -5.194 9.693 -0.882 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 0.782 -1.911 2.509 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 3.505 11.596 1.705 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 10.081 14.474 7.302 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 -5.371 10.502 -9.998 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 3.492 1.199 -2.293 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 -20.846 -4.899 -1.749 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 2.076 0.421 -22.727 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 -1.363 -1.738 -5.361 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 -29.430 26.523 13.620 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 -7.689 -1.028 2.050 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 2.968 -8.172 -4.242 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 12.223 3.467 -9.464 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 1.028 -9.860 -2.907 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 1.472 -8.942 -3.331 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 -6.174 -3.782 -10.063 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 13.510 -12.999 -2.192 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 0.327 0.058 2.953 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 -22.143 4.923 -4.103 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 -15.706 -6.192 12.596 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 -2.223 2.772 2.422 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 4.189 -7.209 4.566 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 7.919 10.049 -2.944 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 -3.043 3.001 -1.237 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 -1.004 0.196 -2.879 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 -3.386 2.553 2.632 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 -0.589 1.314 -2.210 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 14.582 2.811 -11.690 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 -1.663 9.868 8.757 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 -0.674 -3.881 -7.872 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 -1.715 23.117 -8.996 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 -12.772 -15.127 12.679 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 1.354 -4.572 -2.756 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 5.508 8.863 11.979 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 -7.165 -14.816 1.427 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 2.001 -5.613 -4.627 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 -17.971 -9.930 -17.752 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 -7.364 -11.514 -8.804 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 -2.219 0.293 -3.981 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 5.368 9.695 10.123 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 -10.820 26.509 -17.432 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 -1.105 -4.098 -1.164 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 -8.431 -2.774 -7.518 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 -7.339 6.499 12.997 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 0.825 -0.627 5.031 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 -11.815 5.476 -10.560 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 8.440 -6.239 -4.816 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 1.441 -5.084 -3.483 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 20.987 0.419 23.881 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 25.598 -0.612 -28.458 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 1.479 0.802 4.447 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 -10.629 6.416 10.269 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 20.613 -13.776 2.251 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 -2.124 3.609 -0.100 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 14.683 7.486 8.900 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 -0.526 1.077 20.822 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 -0.351 4.747 -5.408 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 -4.248 19.309 1.328 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 -10.864 -1.126 -1.106 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 0.072 5.902 1.220 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 7.303 -8.262 -3.455 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 -1.627 -6.375 16.000 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 2.167 3.029 -3.939 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 -20.333 21.470 12.720 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 3.699 5.942 -14.285 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 2.929 -0.541 0.856 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 -6.396 -1.914 14.013 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 2.999 3.078 2.258 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 -3.695 6.674 -0.472 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 -11.504 -12.465 9.028 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 -18.747 13.395 -13.289 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 0.389 3.092 -4.221 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 0.330 -24.367 2.222 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 21.785 1.703 -16.218 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 -0.536 3.983 2.754 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 5.417 2.631 -0.297 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 17.455 22.110 -2.036 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 -0.880 2.712 0.900 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 -7.684 -3.367 6.193 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 2.668 1.565 -5.237 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 0.415 -1.970 -7.419 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 9.493 8.043 -1.245 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 10.380 0.872 1.199 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 4.955 -9.080 0.928 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 6.347 -34.739 2.495 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 -10.410 -8.741 8.551 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 -1.503 0.955 -3.467 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 -3.519 3.141 5.875 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 -0.367 8.370 -2.543 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 -2.730 1.859 -3.247 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 -26.369 13.796 -3.507 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 -7.990 -3.586 32.175 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 -5.186 2.416 4.291 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 -11.139 -5.159 11.795 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 -8.263 -15.269 7.858 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 -3.173 2.840 3.012 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 -12.380 5.028 7.520 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 13.271 -7.371 -8.228 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 0.750 2.828 1.690 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 -0.750 3.353 1.362 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 -0.034 0.695 1.264 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 -2.552 -1.307 1.027 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 -17.908 3.786 3.104 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 8.335 10.053 5.304 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 6.148 -0.131 2.080 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 -2.641 -1.797 8.435 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 -9.721 -14.390 -5.721 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 -4.134 -7.609 -1.539 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 3.801 -3.397 -37.102 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 6.724 -20.637 -7.840 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 -1.789 1.027 -2.758 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 -13.586 1.297 -2.548 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 0.078 -2.316 -13.890 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 -4.774 -5.092 -2.759 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 5.055 -27.672 -20.057 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 -0.754 5.706 -22.494 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 3.995 -2.867 0.207 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 6.210 7.864 10.643 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 6.696 -18.571 5.314 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 -0.155 5.236 0.586 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 7.904 -8.505 -2.544 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 -16.688 -1.849 -0.922 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 0.904 1.893 3.423 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 -18.268 0.396 3.193 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 -14.461 -31.077 24.184 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 -5.175 -2.462 3.092 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 -0.574 -15.260 -13.689 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 0.926 -6.692 8.579 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 -1.257 0.849 1.360 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 -12.910 20.108 -0.420 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 -4.628 5.901 -6.517 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 10.114 0.616 -3.241 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 8.500 20.600 0.546 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 4.467 5.067 4.735 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 4.307 -4.653 0.932 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 -0.598 4.643 -3.855 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 -1.537 -0.767 -13.263 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 4.834 0.670 -0.762 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 19.176 -10.646 8.674 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 0.670 -3.223 -0.760 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 -2.256 -1.055 3.922 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 6.574 2.824 23.494 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 14.178 -0.754 15.764 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 3.333 3.455 1.735 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 16.890 14.112 7.840 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 3.814 0.116 3.964 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 -0.808 1.155 2.858 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 -5.510 0.586 -21.601 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 -29.980 14.262 4.603 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 3.309 0.827 2.755 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 -14.589 -1.856 -32.269 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 6.759 1.022 9.719 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 2.743 3.627 1.009 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 4.742 16.165 -10.959 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 2.485 -1.155 -8.503 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 -0.015 -0.046 3.151 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 5.059 2.770 12.510 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 11.241 -0.528 -16.817 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 -4.175 -6.614 -2.704 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 2.848 -16.397 -11.224 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 5.965 19.957 7.439 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 -2.334 0.041 -3.439 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 -11.390 -14.448 7.124 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 -2.183 -0.019 -4.150 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 3.811 4.149 5.562 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 18.830 12.358 8.174 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 -1.316 -2.093 -15.179 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 -5.497 6.536 -0.088 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 -5.497 0.897 -4.246 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 -8.308 3.804 0.543 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 -2.656 4.191 -2.262 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 23.619 1.675 1.053 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 -5.817 4.212 -7.543 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 5.881 3.607 0.113 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 10.450 -12.265 -16.757 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 -13.782 18.845 -0.794 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 4.295 0.379 1.879 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 -25.524 -8.770 -3.565 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 -32.695 -33.025 -18.595 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 6.754 -1.680 -2.183 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 19.049 18.623 1.799 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 11.676 5.839 -13.965 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 -6.100 5.624 1.312 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 11.034 13.396 2.859 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 -21.215 -23.444 5.951 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 6.507 -7.250 4.154 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 24.566 -0.886 -0.406 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 2.525 0.302 1.243 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 -1.660 -5.600 4.325 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 2.150 -23.879 4.690 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 11.631 -22.243 3.628 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 1.762 -3.237 0.136 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 6.359 -7.251 6.585 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 1.805 11.190 6.312 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 1.653 1.083 1.316 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 1.720 -6.085 11.871 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 -5.650 -2.435 -8.001 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 0.339 -2.924 -1.013 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 -8.507 -22.142 -14.037 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 -20.291 -10.083 2.839 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 2.519 -3.835 0.818 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 -17.238 -3.752 4.050 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 5.420 -12.158 2.775 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 2.229 4.380 -9.137 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 -15.756 37.369 16.122 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 0.605 -23.507 6.119 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 1.107 -1.547 -1.155 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 5.845 23.124 7.324 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 4.125 -14.684 -15.859 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 2.505 -3.319 -6.323 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 -0.052 7.016 -16.940 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 0.122 3.975 24.702 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 1.860 0.161 -4.415 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 11.656 23.373 9.820 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 2.950 -0.914 -8.208 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 -2.524 3.050 3.609 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 1.023 -1.754 -3.455 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 -4.514 0.243 7.808 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 -3.891 -1.165 1.268 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 -13.344 20.533 4.863 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 -9.312 -15.016 -11.839 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 0.878 4.925 -2.062 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 4.062 12.250 -14.688 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 -16.101 9.156 0.774 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 4.273 0.973 -2.631 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 1.129 5.054 -7.411 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 12.085 -4.147 2.329 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 -2.295 2.949 -2.606 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 -2.965 -3.264 2.531 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 -1.949 9.973 -5.993 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 -3.969 2.395 -4.794 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 0.231 8.205 2.632 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 -2.211 -1.727 2.319 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 -1.686 -5.193 1.991 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 -4.044 5.649 -10.580 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 -8.766 3.077 17.416 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 0.248 2.020 6.057 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 0.776 -2.822 2.280 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 -6.983 0.389 24.471 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 1.474 -2.248 -4.104 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 12.608 -11.614 -20.407 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 -3.373 -2.346 -0.685 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 -2.858 -7.982 3.215 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 9.259 2.390 5.122 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 1.928 -5.823 2.277 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 5.689 5.483 -5.328 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 16.008 5.158 14.824 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 16.378 17.540 -18.737 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 0.573 2.953 2.100 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 -10.855 8.149 -2.072 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 -2.736 4.349 -2.712 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 -2.624 2.004 -0.583 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 -3.344 21.508 -10.238 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 -22.414 0.720 9.834 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 -3.791 -4.354 -0.889 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 -11.213 -3.545 -6.151 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 8.686 -11.450 3.283 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 -2.011 -1.006 -7.091 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 -2.342 -0.393 -19.500 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 -3.437 -10.940 -13.577 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 3.203 0.215 1.731 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 3.014 2.339 2.601 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 2.354 8.372 8.256 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 12.745 -5.494 3.574 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 21.023 12.063 16.301 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 -10.335 16.871 -6.735 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 -4.301 -1.473 -1.127 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 -9.116 -12.355 -14.980 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 9.086 -16.457 9.068 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 1.309 -7.060 -4.145 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 -4.600 -3.658 -19.463 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 -10.840 0.256 11.155 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 3.124 0.978 -4.406 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 10.550 4.696 -6.820 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 2.623 7.331 -7.562 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 5.259 -7.625 1.015 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 15.108 -2.718 11.938 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 15.707 -10.636 8.258 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 -0.474 2.221 0.101 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 7.181 16.335 -7.301 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 -0.118 -12.973 -2.410 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 0.803 -0.592 1.015 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 -1.809 2.932 -4.359 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 -12.728 -5.606 8.348 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 1.261 4.015 5.018 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 -10.189 -7.579 26.738 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 1.290 5.183 -0.287 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 -1.006 -0.038 2.214 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 -6.627 3.450 17.214 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 2.956 0.504 7.569 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 -2.805 -5.265 0.362 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 8.238 -5.602 0.251 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 -22.999 22.141 1.320 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 -2.656 1.005 -9.692 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 -8.146 -6.499 -1.097 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 -10.411 4.181 -13.751 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 -2.771 -1.354 8.218 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 -9.222 -1.836 9.791 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 4.956 -2.705 8.562 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 1.066 4.242 2.723 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 -3.957 10.406 15.121 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 5.201 7.999 -6.402 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 -0.468 1.885 -4.277 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 3.670 -6.165 14.934 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 0.936 -2.887 -14.358 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 3.349 6.438 3.218 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 -11.867 -6.207 10.109 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 13.321 7.400 1.853 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 3.369 -1.754 7.342 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 19.871 9.818 27.469 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 -3.010 9.877 -17.174 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 -3.410 -0.873 3.534 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 -1.087 2.878 9.960 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 -6.403 -11.052 5.085 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 -0.592 -6.817 4.598 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 3.689 -11.719 24.768 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 2.170 -7.313 4.802 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 1.277 1.076 1.771 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 0.400 -2.364 -29.047 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 -4.188 2.939 -4.986 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 0.626 -3.466 -1.898 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 -0.023 -1.953 0.773 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 6.681 -13.434 -6.488 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 2.117 1.343 2.768 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 2.237 1.919 1.818 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 4.692 -10.758 12.756 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 -5.003 6.287 -0.289 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 -3.629 7.470 -8.010 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 -7.591 3.188 4.091 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 3.225 4.123 -0.465 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 6.584 4.498 12.888 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 2.227 1.340 0.328 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 0.186 4.163 1.419 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 -11.412 17.461 12.346 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 1.538 21.161 3.593 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 2.136 1.292 1.571 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 17.962 6.000 -7.734 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 -11.148 -17.516 7.316 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 -3.037 -0.660 -0.542 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 -16.673 19.727 -8.723 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 0.808 2.357 3.838 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 6.530 -5.452 5.967 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 -4.382 -1.774 9.808 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 -10.059 -1.966 5.531 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 -7.876 -4.328 -7.129 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 -23.473 8.684 26.226 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 -17.941 -1.745 0.189 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 -3.142 -2.648 0.387 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 23.316 5.088 11.548 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 -1.744 6.715 -28.024 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 2.255 -0.957 4.187 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 -9.212 3.363 -2.475 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 14.476 -17.582 3.604 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 3.454 4.007 -1.216 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 -8.656 4.141 4.906 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 8.840 0.439 -14.412 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 -2.813 1.416 -0.723 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 17.070 19.850 -1.426 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 -18.179 -38.936 -22.906 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 3.242 -8.403 1.687 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 5.909 -14.210 4.917 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 2.115 -19.534 -2.687 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 -1.773 -0.660 5.933 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 7.069 7.530 1.849 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 20.761 -11.706 10.464 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 -8.536 2.221 9.500 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 -7.806 -9.443 -1.715 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 -9.202 2.701 14.451 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 -6.057 4.208 0.998 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 10.839 -10.648 -1.394 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 -1.333 -3.618 5.313 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 4.327 -6.790 -0.427 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 -6.134 -11.106 14.771 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 26.894 15.387 -10.081 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 3.209 -8.894 -1.946 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 -14.017 -4.578 4.923 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 7.178 11.783 -9.912 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 -6.003 -2.482 1.097 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 28.969 -5.824 -18.294 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 -4.633 -8.099 7.718 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 -7.057 1.881 6.375 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 0.918 -4.403 -9.353 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 -10.764 1.041 2.714 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 4.012 -3.547 -2.490 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 16.903 -8.700 20.876 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 -5.649 7.136 -27.988 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 1.747 1.478 -2.468 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 9.212 7.896 4.713 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 -0.222 5.639 -10.176 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 -3.113 3.094 -1.075 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 19.308 1.805 14.816 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 6.581 -2.245 2.011 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 -2.729 3.866 -0.581 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 -0.380 -15.071 20.806 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 -7.668 6.921 4.418 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 -2.051 -11.257 1.834 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 1.147 -11.724 12.169 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 -10.056 -8.986 -22.279 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 -1.473 -3.233 5.201 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 -5.982 -1.428 11.828 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 -2.398 -3.914 5.977 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 -2.211 -3.963 5.214 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 1.077 13.350 -2.045 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 4.891 7.954 4.028 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 3.388 4.718 -2.174 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 23.633 4.936 4.174 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 -4.186 -30.563 7.243 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 2.545 3.966 0.359 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 0.352 7.141 -6.727 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 3.106 15.952 -14.313 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 -7.120 -11.134 7.827 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 -23.675 -21.736 9.135 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 -0.770 -13.684 3.209 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 0.946 -2.013 1.907 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 -16.883 -0.447 16.588 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 -10.537 7.828 -4.829 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 -8.409 -4.373 -0.380 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 -8.450 15.232 -8.855 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 -8.965 -12.017 -0.914 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 -3.776 5.636 -3.018 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 10.188 0.862 -7.108 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 15.605 -3.950 -9.732 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 -3.716 3.084 1.469 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 -14.451 20.028 -0.141 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 9.842 14.668 12.981 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 3.683 -2.518 -6.665 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 10.039 -9.857 -1.090 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 2.513 3.437 -3.145 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 -3.074 -3.778 2.266 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 -15.365 -18.513 15.148 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 -11.560 -13.928 7.075 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 5.207 1.789 -5.566 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 7.942 9.855 -9.561 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 -6.396 -16.387 10.484 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 -2.574 1.473 5.226 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 -6.952 2.731 -28.508 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 32.250 3.707 15.176 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 2.240 -0.343 -5.592 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 -5.745 -1.678 4.438 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 -8.149 -12.633 -1.674 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 -2.913 3.494 -1.335 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 13.027 3.517 -6.487 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 -12.510 29.532 20.423 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 2.679 -1.174 -6.135 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 35.197 21.829 0.741 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 -18.417 18.738 -31.626 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 -5.012 -6.352 0.177 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 -2.857 -12.364 6.684 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 -0.959 -13.884 -5.272 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 -5.824 -0.525 0.348 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 -1.008 3.405 6.889 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 -18.287 -12.796 -21.972 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 -1.197 4.790 0.563 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 -8.206 14.931 -1.932 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 5.993 -3.980 4.348 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 -5.153 4.534 1.079 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 -22.030 -0.475 0.708 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 -27.099 -20.456 -3.415 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 -0.071 -2.963 1.963 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 6.742 -8.690 4.121 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 -23.954 17.450 -6.668 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 1.598 3.019 2.299 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 1.085 -10.143 3.620 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 15.009 7.558 0.149 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 -3.567 -0.562 -5.376 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 -0.790 4.567 -4.651 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 -6.332 2.855 -16.215 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 -0.027 3.629 -2.189 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 -12.457 4.751 -5.429 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 0.147 -5.631 5.320 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 -2.623 -2.447 -0.031 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 5.229 -13.268 13.727 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 14.540 2.204 -3.250 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 4.284 -2.671 1.805 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 1.144 2.110 17.191 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 4.683 -12.489 -13.293 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 -1.903 -3.426 2.551 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 8.575 12.499 -0.876 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 3.426 8.556 12.021 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 0.215 -3.636 -0.905 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 1.052 -6.660 -7.350 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 -3.525 7.051 -0.119 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 8.967 0.573 -1.590 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 18.577 0.449 5.169 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 -4.730 -48.093 0.892 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 -0.780 0.427 4.323 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 -1.530 -0.826 2.516 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 -3.907 5.565 -4.741 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 -0.268 0.043 -1.329 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 -8.548 -9.040 0.615 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 6.927 -4.034 10.885 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 4.936 3.539 -0.725 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 11.940 5.650 -6.221 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 4.913 -3.037 -0.502 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 -4.639 -4.878 -2.894 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 -4.903 -9.232 1.680 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 -4.211 -3.691 -4.642 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 -5.434 -1.440 -4.250 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 -5.063 1.068 -0.504 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 -2.425 -3.016 -2.061 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 -9.019 -4.159 -1.011 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 9.191 -9.607 -21.772 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 0.468 14.772 10.611 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 -2.881 3.744 -2.514 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 -6.800 -6.011 -5.694 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 -21.768 7.486 1.808 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 -6.824 1.733 -5.449 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 -5.786 3.242 -0.864 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 -5.319 3.752 0.498 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 5.836 6.075 -1.842 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 9.243 -7.049 12.626 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 -1.866 2.639 12.395 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 3.884 0.227 3.133 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 3.685 -1.670 9.863 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 4.296 2.492 -19.273 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 2.791 -3.704 -2.158 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 -1.459 -4.874 -21.749 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 -24.297 -8.751 2.971 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 -3.581 5.318 -1.493 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 -0.916 6.801 1.739 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 -5.944 3.946 -2.202 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 -3.762 1.428 1.661 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 -5.816 2.370 -12.432 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 -0.602 -1.065 -3.775 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 -0.364 3.713 -2.818 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 5.054 -2.394 -8.165 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 1.018 -3.909 -4.887 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 4.740 2.437 3.056 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 -4.436 -8.607 -19.306 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 -14.876 0.676 13.974 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 -3.707 3.233 0.130 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 3.306 -5.656 -0.756 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 12.535 3.978 -16.469 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 1.838 1.936 -1.893 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 -35.250 11.333 -10.299 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 -12.199 2.849 -11.785 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 2.941 -0.005 3.862 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 -15.783 -11.848 13.476 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 -15.384 -13.238 13.133 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 6.794 2.497 -4.247 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 17.258 -5.746 -16.547 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 17.026 -10.091 -6.747 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 1.865 -0.817 1.864 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 7.718 -3.641 2.853 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 -6.770 -0.377 1.993 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 0.878 -2.621 6.465 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 17.237 8.980 4.047 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 -26.551 10.189 -12.235 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 0.761 2.118 2.836 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 23.668 -4.465 -6.869 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 -10.893 -16.092 9.870 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 2.865 3.407 0.865 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 8.118 17.305 12.381 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 -11.105 9.458 -6.276 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 -5.959 -1.148 -2.426 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 -4.610 5.547 -11.473 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 -1.329 0.812 -12.277 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 -5.005 -0.608 6.500 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 -10.916 2.823 17.282 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 2.915 -3.755 -1.422 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 1.996 -2.278 3.182 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 4.921 3.992 9.246 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 18.045 -25.455 -6.427 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 0.509 9.341 1.111 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 -5.889 18.270 7.359 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 2.788 -5.076 7.640 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 1.420 -0.270 3.930 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 9.221 -8.483 -7.103 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 4.809 2.749 -1.530 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 4.282 1.810 -2.953 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 -27.564 -27.459 9.430 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 10.415 1.885 -18.264 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 -4.214 -0.658 -2.690 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 -3.204 -1.976 0.577 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 -3.436 -12.864 -1.182 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 -5.868 -5.304 6.981 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 -0.610 -5.731 -1.047 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 -4.320 -6.221 9.148 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 -5.110 1.102 -0.158 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 -11.889 -5.704 2.229 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 -4.202 -12.075 3.418 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 3.800 -0.312 0.694 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 -4.998 26.241 3.170 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 -4.599 13.820 7.861 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 -6.246 -5.631 -2.837 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 17.632 3.528 -5.043 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 23.806 6.039 -5.039 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 -3.735 -2.175 9.953 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 7.748 -3.385 7.149 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 -3.532 -0.223 18.908 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 0.391 -2.351 -1.298 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 7.916 -5.948 -12.579 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 15.125 2.176 -11.367 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 1.445 -3.088 -1.690 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 -22.517 -15.680 3.539 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 29.940 7.483 -13.411 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 1.415 6.737 2.611 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 5.057 20.780 17.755 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 1.454 3.600 6.705 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 -3.181 0.829 1.818 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 2.678 -12.258 3.447 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 -9.276 1.299 14.002 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 -3.857 -3.841 -5.165 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 3.688 -3.947 -0.985 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 -1.374 -18.974 -4.794 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 -0.419 -7.545 -5.980 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 12.622 -0.186 -13.409 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 -7.151 -8.672 -7.712 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 5.474 -4.559 -4.380 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 15.027 -1.659 -0.964 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 -1.819 14.662 -4.469 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 -1.657 -5.561 -4.181 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 -0.868 -7.809 -2.372 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 3.127 -8.693 -7.095 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 2.750 -0.670 -2.334 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 -3.786 14.832 12.258 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 19.309 9.266 -14.484 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 8.532 6.955 -6.786 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 17.060 4.731 -2.092 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 12.213 6.021 -5.516 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 -1.834 5.809 -0.397 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 4.807 2.880 -2.032 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 -5.758 5.059 17.489 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 -1.712 1.115 2.343 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 -11.225 4.742 -10.790 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 15.418 -3.557 29.482 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 3.704 1.901 -8.247 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 15.875 -6.436 -3.634 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 4.149 1.271 -4.350 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 -2.404 3.203 -3.031 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 0.767 3.146 4.460 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 -5.581 9.090 0.490 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 0.545 -0.234 3.416 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 19.399 5.105 -2.652 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 -2.607 -10.968 -16.087 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 8.352 2.227 1.900 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 12.363 11.272 -15.330 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 6.619 3.748 -5.795 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 -4.837 1.919 3.153 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 7.051 11.906 0.161 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 0.044 -14.861 -4.629 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 6.740 -0.451 2.643 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 -31.390 2.257 -9.642 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 -2.479 18.881 42.366 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 -1.628 7.816 -4.501 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 0.916 -16.567 1.974 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 -0.269 -5.381 -9.038 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 -1.987 -2.100 0.944 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 -4.891 6.839 8.283 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 -15.745 -12.031 0.313 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 0.641 -1.899 -3.660 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 3.248 22.469 -9.305 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 18.033 -2.752 -6.278 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 2.251 4.278 2.433 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 -9.112 5.773 4.826 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 3.537 13.083 3.916 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 -3.524 -2.493 -5.947 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 -4.381 20.716 12.543 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 12.402 -28.245 -11.474 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 0.174 6.586 -5.814 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 -8.416 15.183 -3.055 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 10.225 32.047 -34.507 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 4.267 1.297 -4.502 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 -27.516 -6.899 -1.404 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 0.618 9.869 -2.299 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 -0.824 0.095 4.719 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 2.207 7.694 -5.881 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 0.075 8.650 14.223 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 -4.490 -7.013 -2.700 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 2.070 -6.435 -13.652 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 12.685 -8.313 0.017 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 1.875 -1.760 2.991 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 8.648 10.006 -3.859 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 -0.596 5.823 10.979 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 1.243 2.318 -2.208 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 7.112 -7.177 5.975 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 -13.308 0.942 -0.722 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 -4.664 -2.169 0.545 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 -4.700 9.683 -7.513 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 15.993 10.018 7.904 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 -3.903 3.854 5.295 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 -12.681 -12.067 -13.307 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 -0.534 15.843 -14.130 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 9.271 -3.166 2.457 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 -7.881 8.656 -4.537 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 14.580 -5.148 -0.988 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 1.313 3.352 -2.546 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 -7.654 10.869 -15.396 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 -10.603 1.969 7.826 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 -5.077 -3.470 -0.564 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 18.323 -17.966 2.951 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 -2.252 -3.848 -2.605 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 3.996 2.197 -0.597 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 3.531 -1.617 -13.223 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 -26.615 -9.945 6.984 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 -7.287 -2.185 10.993 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 6.522 8.295 11.734 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 11.224 3.882 19.586 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 3.246 0.482 1.621 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 1.061 -1.644 1.116 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 -0.207 -4.312 5.103 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 0.926 -3.439 -5.899 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 4.722 -15.712 2.118 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 -7.461 -10.472 -2.702 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 4.358 -2.923 1.109 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 14.148 -3.003 -5.948 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 0.627 -20.529 -6.843 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 7.446 2.669 6.514 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 4.376 -3.925 3.647 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 6.595 -1.183 4.131 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 -0.457 -3.194 0.750 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 2.158 -6.602 4.074 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 -36.401 -4.016 27.300 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 -1.593 -0.049 0.803 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 6.411 -1.440 16.053 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 -17.660 18.865 -7.024 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 -5.897 0.560 1.636 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 6.834 18.719 -4.923 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 1.424 -12.269 -1.437 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 -2.497 0.970 -4.193 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 14.687 8.656 1.275 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 -7.962 -17.246 -6.679 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 -5.941 -0.556 3.007 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 -8.580 -7.687 18.757 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 -21.684 6.091 -12.435 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 5.732 -2.985 3.790 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 6.864 15.204 3.415 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 6.634 7.780 3.769 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 -3.187 -2.775 6.119 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 -4.807 -7.399 -14.199 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 -18.083 12.302 8.694 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 0.061 0.654 0.152 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 -2.935 -6.102 -16.135 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 -5.505 2.695 6.686 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 0.439 0.840 -7.738 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 -0.411 -15.982 3.096 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 -0.382 -28.883 17.939 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 -0.701 -5.361 7.004 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 -16.062 -21.835 -6.180 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 -13.893 -5.667 21.568 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 -4.045 -1.176 -5.277 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 -10.890 -16.817 -3.421 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 8.188 -29.860 1.191 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 -5.832 4.130 -4.027 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 -19.414 -2.655 -0.402 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 -2.958 -14.177 -8.761 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 -4.449 4.171 -3.310 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 10.513 7.959 16.616 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 18.372 13.349 -11.718 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 -2.105 0.430 2.597 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 20.374 0.923 -10.397 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 6.194 2.748 3.268 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 -2.113 -3.689 0.864 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 8.781 9.272 5.084 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 -17.856 0.617 -5.945 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 -2.374 -0.898 2.706 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 -7.487 -19.004 6.619 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 0.335 10.922 1.339 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 6.199 1.165 1.833 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 2.427 10.628 0.387 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 -6.192 -2.979 8.552 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 -2.876 2.323 -3.147 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 -20.082 2.257 -2.996 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 3.933 -11.949 -7.521 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 0.885 0.288 1.681 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 -6.140 4.988 -2.749 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 11.413 -2.085 13.652 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 -7.129 1.292 2.126 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 -2.632 5.436 -12.270 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 -3.010 -2.055 -25.784 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 -0.138 3.837 1.399 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 4.315 22.340 3.051 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 -10.472 -7.141 -1.620 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 -1.543 -4.337 -5.351 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 -3.279 -5.608 -9.225 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 -6.546 -6.786 -4.340 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 -1.932 3.839 0.481 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 -15.977 -6.699 -5.732 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 -6.778 15.842 4.000 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 -2.705 -4.223 1.403 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 -4.189 2.046 -4.191 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 -6.199 -1.671 9.355 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 8.752 0.690 -3.633 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 -13.531 13.079 -2.065 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 8.382 -0.280 -2.444 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 5.763 3.881 -3.168 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 -8.104 28.617 7.312 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 -3.735 15.712 -3.693 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 0.889 3.738 4.216 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 6.297 -2.598 2.384 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 -5.267 -0.565 3.135 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 2.382 1.305 -4.075 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 1.162 -14.652 -1.712 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 8.576 -3.746 -3.465 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 5.584 2.389 -2.164 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 6.105 -2.620 0.811 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 10.652 -9.794 18.878 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 0.246 -3.218 0.478 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 5.064 7.529 4.429 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 8.032 10.956 2.022 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 3.606 -3.412 -1.915 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 -0.927 -2.478 -14.826 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 -3.457 0.380 -4.721 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 0.720 0.088 1.488 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 12.082 3.690 -1.986 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 3.463 -5.412 -5.859 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 1.852 -7.086 2.471 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 -6.447 1.021 32.102 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 4.618 17.489 1.070 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 -5.525 5.069 0.123 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 -5.913 3.735 -1.276 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 -12.470 14.864 23.430 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 3.775 7.210 -5.560 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 -0.543 1.129 -1.503 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 1.449 10.560 7.206 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 0.877 3.995 4.604 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 3.852 -8.425 -0.206 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 -2.132 -4.596 0.020 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 -0.889 -12.500 5.697 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 10.309 -3.867 4.734 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 -1.477 -3.446 -0.080 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 2.462 0.111 -6.250 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 21.899 -11.006 5.145 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 -9.451 26.184 -22.819 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 1.379 0.219 -2.843 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 -5.478 -4.360 -8.511 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 -9.928 -12.875 4.491 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 5.600 3.767 -11.217 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 -13.092 -0.096 -7.680 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 -17.338 -1.217 -27.999 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 -3.045 3.631 -0.131 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 2.201 -3.337 -5.200 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 -9.577 8.959 -5.118 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 2.001 3.634 -1.624 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 -4.459 -3.399 0.746 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 -5.273 0.005 -13.380 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 -2.773 4.546 -5.809 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 -22.125 -1.727 -0.722 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 -11.345 4.957 3.846 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 5.592 -6.931 0.680 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 1.926 -3.916 -4.287 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 13.825 -7.277 -5.229 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 1.472 4.962 4.572 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 -2.380 25.375 -6.095 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 3.463 13.223 39.756 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 -6.040 1.828 -2.723 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 -11.125 21.751 -17.223 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 -0.827 6.495 -19.877 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 1.083 2.022 -2.217 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 -12.807 10.711 -10.731 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 35.114 -16.592 8.579 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 2.299 1.150 -2.172 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 -7.453 -8.423 -28.471 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 -1.129 25.964 -7.432 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 3.334 -2.283 -5.535 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 -5.179 -1.041 0.230 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 9.558 2.223 -0.972 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 3.532 -5.148 -0.045 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 12.927 -13.177 -4.934 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 14.820 -14.845 -6.433 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 1.252 -2.542 3.054 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 0.238 -20.521 6.164 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 10.256 -3.791 -7.809 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 0.968 -0.636 -2.978 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 -6.528 10.051 9.260 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 21.004 -3.739 -5.937 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 5.230 -1.653 -1.392 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 2.541 -6.790 -2.910 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 9.149 -0.926 -0.163 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 -3.988 4.734 -3.578 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 -12.553 10.558 8.534 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 -4.506 4.900 -2.952 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 -0.202 -0.184 0.004 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 22.532 -2.392 9.972 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 1.739 -11.389 -4.755 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 4.258 7.092 -1.643 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 9.917 10.000 4.936 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 -7.763 28.629 -7.400 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 3.498 -3.813 1.924 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 6.551 -18.915 -10.047 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 19.459 -10.046 -8.805 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 3.370 -0.997 1.895 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 -1.509 1.209 6.457 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 -1.193 -11.888 7.489 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 7.004 9.968 -0.237 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 -4.008 10.684 -11.367 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 4.299 22.283 7.734 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 -0.292 -7.629 -0.207 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 -22.270 -16.651 -9.237 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 6.174 -2.444 -4.662 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 -3.691 -3.538 7.105 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 -4.481 -1.242 6.472 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 3.319 -7.749 13.031 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 -1.307 2.985 2.560 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 8.819 -5.311 -1.881 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 26.045 15.061 10.128 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 -0.860 0.850 9.186 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 23.268 3.455 5.532 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 -1.307 -21.253 -9.612 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 -1.458 2.465 4.880 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 -1.194 2.051 18.658 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 -15.817 0.279 1.529 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 -4.783 1.061 -6.876 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 2.261 8.097 17.053 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 14.173 -16.916 -16.013 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 0.251 -9.378 3.193 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 -1.064 -1.494 10.711 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 6.822 -20.393 -7.460 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 -0.477 0.001 4.022 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 7.167 -21.703 -4.245 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 -2.083 10.164 -7.033 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 -1.940 -3.960 -1.930 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 -11.534 0.496 -18.455 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 14.727 -18.419 -8.849 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 5.524 -0.959 4.720 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 8.520 -3.676 -2.728 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 6.148 -2.191 -1.381 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 -0.299 3.802 4.091 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 -5.028 4.600 3.052 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 -5.141 -3.668 8.231 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 1.214 4.076 2.903 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 2.651 -11.196 -11.273 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 1.265 2.041 4.792 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 -6.839 0.396 -4.682 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 1.038 -1.452 8.870 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 -6.990 -7.795 -15.356 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 0.030 -1.709 -1.863 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 5.888 0.342 -6.887 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 -9.788 3.004 4.137 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 -2.407 -0.747 8.624 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 -9.792 5.332 -3.791 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 -2.389 12.922 7.656 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 3.453 -0.057 0.013 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 -1.457 -2.537 -7.130 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 -5.705 -2.419 -2.709 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 3.154 -2.607 -1.525 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 4.161 -12.188 1.742 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 1.540 -4.718 1.552 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 -8.923 -0.742 5.774 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 -29.760 22.944 16.486 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 -20.165 -27.513 5.860 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 -4.121 -2.116 1.118 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 0.340 -10.922 -7.188 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 -0.053 -18.691 16.655 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 -2.866 -2.982 7.574 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 -11.298 12.769 9.879 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 11.634 -35.144 0.243 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 2.709 1.115 -2.553 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 28.859 5.957 -24.136 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 5.342 -15.159 -7.330 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 -5.285 -1.957 1.111 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 -17.695 8.532 2.664 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 -11.691 -6.910 -0.945 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 -2.829 3.052 4.870 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 -3.960 -9.344 3.190 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 5.919 -28.434 4.396 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 -0.230 -3.144 3.980 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 -18.894 13.490 4.884 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 -1.147 -6.133 17.394 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 -5.516 -2.079 1.055 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 3.276 24.939 -10.068 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 -3.330 -26.747 31.344 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 -1.526 -5.626 3.734 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 -9.374 -14.451 1.897 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 -26.616 -21.268 -2.419 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 -2.644 -1.514 -1.764 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 -16.547 -21.442 -18.615 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 -4.033 6.466 4.539 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 3.780 -0.530 0.333 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 3.070 4.423 5.371 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 5.118 -8.674 -7.373 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 -1.154 -1.702 2.721 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 7.584 -12.027 6.661 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 10.934 -18.282 -27.272 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 -1.365 4.024 -3.032 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 -39.032 12.576 26.295 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 1.198 5.056 -6.341 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 -1.940 -4.017 -1.481 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 4.233 17.303 23.448 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 -9.652 -10.080 -43.297 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 -0.657 -0.118 0.093 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 0.194 -1.679 -2.088 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 0.394 2.102 12.941 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 0.169 0.967 -2.121 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 -0.203 12.180 -10.571 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 -15.242 -14.616 22.104 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 0.122 -8.631 -3.859 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 1.105 -18.336 8.283 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 -15.192 -9.079 -9.154 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 1.772 1.309 0.074 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 21.127 12.632 -19.279 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 -11.945 -20.072 -1.390 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 -4.352 -4.223 1.080 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 -12.504 19.686 -2.738 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 -18.118 0.411 15.427 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 -3.070 -3.754 0.548 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 27.064 -2.167 -3.355 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 29.892 -38.775 1.723 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 -3.375 -1.965 8.249 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 11.107 -7.884 5.737 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 6.290 -10.123 9.038 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 1.790 -1.397 3.878 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 36.665 2.670 20.933 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 0.502 -1.282 3.243 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 2.524 -2.685 0.314 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 -2.493 13.407 4.623 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 13.550 -6.629 -4.522 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 -1.028 -2.763 1.999 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 -2.849 -17.845 -10.748 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 6.254 8.977 -2.508 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 -1.014 -0.990 4.321 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 10.508 -12.098 -14.316 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 6.567 6.890 -9.688 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 2.982 2.436 0.370 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 -7.669 10.292 -13.037 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 -15.889 -2.074 4.339 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 0.295 -0.422 4.914 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 14.980 -12.390 15.196 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 1.704 16.257 -2.830 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 -1.961 2.078 -3.065 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 0.281 -4.714 -4.362 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 24.187 24.785 14.455 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 2.309 -4.410 4.473 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 7.324 14.023 0.938 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 -10.821 12.138 -22.509 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 -0.886 2.804 7.331 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 -0.494 5.357 8.575 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 -26.092 9.869 -1.668 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 -1.875 -9.292 0.011 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 12.383 -15.070 -28.050 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 -44.930 -4.663 22.153 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 -3.634 0.121 -11.398 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 -11.954 -9.257 -13.691 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 5.792 9.415 -19.403 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 -1.403 -0.167 -2.112 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 -3.684 -2.215 3.545 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 3.834 2.297 -3.953 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 1.270 -1.938 -8.947 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 -10.453 17.189 11.234 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 14.215 -29.560 -21.537 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 0.029 -3.951 2.167 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 -4.888 -20.025 -12.752 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 26.961 4.542 15.694 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 1.973 3.088 7.269 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 7.479 0.448 11.194 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 7.945 0.073 7.940 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 3.751 1.095 5.756 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 12.597 3.062 7.068 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 -6.353 -0.147 6.930 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 -5.605 1.117 -4.438 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 -23.018 -5.815 11.116 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 -0.141 4.107 -8.143 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 10.559 -5.712 -4.789 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 -2.587 21.106 8.308 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 6.452 -2.260 -7.507 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 -5.871 -4.701 -2.604 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 16.315 15.707 0.162 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 -2.585 -27.665 -9.119 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 -1.052 -7.178 2.152 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 0.499 -20.571 -10.453 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 -2.820 -17.663 4.701 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 0.656 -2.754 -3.960 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 -10.701 -19.939 14.685 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 -13.060 7.035 6.330 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 -3.599 -1.787 -2.072 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 4.319 -6.070 14.312 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 -29.450 8.231 6.211 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 3.074 0.400 -8.182 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 8.424 -0.391 -13.221 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 -4.328 -9.159 -1.834 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 10.767 5.737 -2.254 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 5.943 4.015 -2.551 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 7.036 17.390 -10.344 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 6.060 -1.103 -1.086 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 -5.647 4.884 7.193 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 1.741 2.951 -1.401 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 -0.046 -6.268 -1.585 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 -11.956 -12.453 -3.942 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 0.630 8.549 1.752 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 1.664 -0.763 5.812 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 -6.254 -6.405 16.185 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 9.971 -2.020 14.089 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 -1.602 2.698 -2.142 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 -0.418 -0.517 -1.160 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 -5.230 2.065 -5.237 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 0.191 3.632 1.887 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 -19.047 5.200 -3.394 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 11.589 30.489 -0.210 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 -3.696 -2.992 2.329 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 13.284 8.165 4.717 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 -16.505 7.510 -11.478 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 -9.294 -0.818 -0.601 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 5.799 1.254 0.846 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 2.461 -9.855 -9.394 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 -3.303 5.257 1.396 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 1.578 19.467 4.690 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 -7.283 -1.797 2.522 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 -5.571 7.857 5.009 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 -14.753 -5.744 21.757 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 -17.260 -15.224 -9.707 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 0.558 -2.909 2.777 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 -2.596 -10.569 -1.246 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 0.252 7.920 -3.390 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 -4.162 -0.371 1.235 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 -5.067 1.622 2.964 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 -6.509 -4.763 -2.321 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 -4.701 -2.926 2.648 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 5.669 -9.109 -2.106 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 31.538 -10.457 21.878 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 -6.350 -8.892 1.047 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 4.909 -28.014 2.275 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 -18.039 7.580 -5.168 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 0.760 2.322 5.306 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 10.526 -12.306 13.805 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 -9.048 13.251 21.276 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 0.262 -4.033 4.969 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 -10.350 -1.245 -3.621 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 29.632 -6.016 31.089 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 4.163 -7.513 0.182 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 -2.558 -24.342 -25.576 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 4.217 3.347 14.904 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 1.591 3.042 3.112 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 1.969 1.123 6.611 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 15.503 -24.239 -0.952 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 6.231 -0.343 -3.395 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 3.439 -2.551 -16.367 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 -3.033 0.393 -10.358 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 -3.033 -0.816 2.884 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 0.745 -3.297 -22.171 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 3.813 6.107 -2.855 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 1.739 1.003 3.681 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 -5.631 -25.815 -8.508 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 -14.531 19.397 -14.843 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 1.038 1.608 -0.465 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 4.383 1.536 0.017 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 0.059 9.826 4.443 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 1.793 1.811 2.055 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 -8.689 -5.156 18.477 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 -8.205 -4.603 17.347 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 -8.454 0.447 -4.918 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 20.400 20.785 18.677 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 -26.523 1.228 -9.228 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 2.024 6.036 0.968 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 11.904 10.531 -1.649 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 -0.038 4.212 5.587 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 4.897 5.164 4.639 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 11.290 -22.777 -6.896 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 4.306 -0.485 -0.054 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 1.847 -4.658 -1.325 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 9.594 5.231 -2.973 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 -19.387 -13.545 4.667 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 3.936 4.637 -1.479 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 -1.962 0.076 41.508 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 2.427 13.987 4.144 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 2.808 0.216 -3.288 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 -0.945 1.929 2.612 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 9.373 -2.265 -9.487 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 -3.352 6.280 -4.668 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 -4.622 4.453 -4.498 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 0.231 9.696 -6.051 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 1.890 -3.507 -2.224 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 -10.529 -9.477 -13.347 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 4.295 -0.700 -0.221 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 -4.293 -4.024 5.812 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 -1.503 -1.383 5.412 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 -4.519 -0.720 5.808 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 1.258 -2.012 -2.627 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 -13.632 1.123 -2.519 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 -4.605 -8.806 25.934 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 3.996 1.338 -1.937 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 17.400 -14.663 -1.191 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 -8.050 11.550 14.001 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 4.277 4.204 4.196 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 8.787 -2.392 3.194 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 17.617 0.366 -10.767 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 -2.153 -4.801 -0.718 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 -6.478 4.483 -7.561 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 5.925 -11.925 -18.225 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 5.695 -0.505 5.262 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 -7.746 -16.086 -5.550 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 14.395 -6.355 5.428 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 2.670 -2.259 -3.124 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 -13.164 3.585 10.754 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 4.598 -3.796 -0.703 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 0.700 -1.031 2.520 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 -7.479 8.791 6.903 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 11.481 2.286 2.691 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 -3.368 0.510 -1.597 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 -0.380 4.975 -1.494 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 -5.059 -2.095 3.104 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 -0.800 1.844 0.251 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 10.679 7.165 1.579 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 0.525 2.758 11.835 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 4.258 3.510 -4.996 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 7.057 2.721 -33.354 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 3.778 2.617 5.495 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 7.896 -4.343 -1.381 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 41.065 -12.834 -9.867 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 8.889 3.020 -13.026 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 1.626 0.300 -3.214 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 7.689 -4.761 -8.068 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 -8.988 -4.558 -8.037 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 5.018 -5.652 -5.156 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 -10.224 -1.220 -33.937 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 -4.883 17.105 -14.589 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 -2.607 -2.343 -2.442 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 1.301 13.499 -7.562 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 1.283 -19.374 -10.534 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 3.805 -4.076 -0.804 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 28.387 4.791 -9.387 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 -3.294 -11.352 -24.600 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 -2.574 6.658 -3.018 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 6.428 6.059 -11.011 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 2.608 6.249 0.509 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 2.148 4.480 -6.333 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 -5.956 0.980 19.024 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 -4.060 -1.966 -11.043 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 -3.527 2.298 -4.538 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 -8.014 4.549 -19.502 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 -8.816 0.495 -6.313 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 -2.640 3.743 10.310 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 4.862 -7.236 13.137 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 12.501 -0.209 17.496 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 -0.305 -4.685 -1.571 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 1.403 6.707 4.033 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 4.861 6.623 -14.785 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 -0.455 0.697 4.022 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 -10.619 -9.848 26.665 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 -9.011 5.989 3.794 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 -1.156 5.869 -5.323 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 -1.298 9.566 -2.534 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 -2.698 2.246 -4.706 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 1.573 2.674 2.628 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 8.375 -13.221 -10.577 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 -1.312 -3.301 26.923 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 -2.151 2.138 -2.731 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 -28.790 -16.820 -10.440 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 16.849 -19.343 -17.778 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 -9.243 0.920 -3.953 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 -7.343 -9.113 -5.074 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 0.225 0.014 -13.412 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 1.132 2.592 0.247 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 5.256 -0.990 7.882 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 0.826 2.878 -1.409 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 3.092 0.935 4.616 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 7.274 3.152 -2.499 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 9.700 3.215 -6.662 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 4.780 -2.600 -5.186 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 -14.574 2.599 -14.682 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 4.869 4.768 17.433 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 8.651 2.196 3.443 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 17.134 8.693 -2.690 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 -4.242 -2.749 12.430 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 0.538 5.481 6.104 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 21.041 -8.062 -6.238 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 14.237 -3.551 -2.959 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 -7.067 6.547 0.826 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 -12.305 5.550 33.288 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 4.464 -24.625 -7.624 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 2.014 -0.814 0.860 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 15.197 -10.137 -0.865 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 4.182 -0.003 14.623 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 8.656 2.696 -14.255 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 -12.030 -14.418 -17.516 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 16.115 2.196 11.371 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 0.332 -5.564 -0.061 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 0.940 26.964 4.181 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 -3.461 -9.889 0.321 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 5.700 -4.448 -0.636 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 7.836 8.994 -1.589 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 -1.996 -5.450 12.841 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 -1.952 -3.192 3.926 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 10.717 -7.967 -7.088 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 -2.340 11.571 8.432 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 -1.490 -1.878 -3.835 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 4.852 4.168 -9.611 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 13.277 -2.959 -14.907 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 -0.940 -13.126 6.746 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 -5.167 0.319 -0.127 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 14.089 -15.902 -4.407 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 -1.879 -2.871 4.707 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 11.337 7.765 -5.720 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 -15.598 12.196 10.810 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 -6.102 2.886 -1.577 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 -14.817 12.106 -5.038 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 5.960 7.349 5.575 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 -1.324 5.072 -4.074 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 11.925 -6.029 -18.702 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 11.292 20.959 3.625 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 -6.100 5.847 0.773 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 1.000 -11.461 -18.132 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 3.355 -13.903 -17.168 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 -0.330 8.497 2.717 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 -2.190 9.516 2.371 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 -19.213 12.942 -33.724 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 1.251 4.966 0.339 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 6.250 1.912 -7.057 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 -16.789 -0.474 -9.513 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 1.031 6.185 1.850 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 -4.770 -2.175 -3.604 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 14.131 8.508 16.670 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 9.430 1.062 10.712 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 9.701 4.273 11.420 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 10.895 -3.838 9.294 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 -1.688 9.520 -2.393 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 11.787 2.610 -0.318 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 -25.255 12.444 -4.399 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 -0.701 -3.732 -2.387 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 5.030 7.125 -2.210 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 -6.976 3.468 -22.356 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 -4.569 2.115 0.670 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 -8.605 -2.890 7.885 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 9.180 8.539 -6.084 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 7.152 3.678 -6.135 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 -10.433 -6.185 13.254 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 -11.931 3.219 -10.749 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 3.835 4.317 4.598 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 4.143 0.078 8.638 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 13.107 -7.714 -7.111 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 4.137 7.654 -3.018 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 0.987 18.069 -28.842 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 9.140 -16.062 -2.082 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 -0.939 0.118 1.255 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 -37.793 34.148 17.572 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 -25.407 -5.215 37.338 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 -7.164 1.594 2.700 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 -26.913 -5.211 12.042 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 -8.906 14.722 15.213 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 1.955 2.644 1.679 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 9.064 36.096 6.797 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 13.986 -38.243 7.995 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 -4.092 0.247 1.248 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 -4.196 16.843 24.094 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 -6.958 16.080 -19.966 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 -2.536 4.360 1.261 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 -6.542 6.636 9.141 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 3.275 3.429 4.121 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 -5.763 -2.422 0.359 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 -6.081 2.179 -5.713 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 0.863 8.877 -5.567 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 -2.020 1.532 3.939 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 -4.855 -7.077 -5.130 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 -3.650 6.669 15.048 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 1.519 -7.324 4.050 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 0.746 -2.505 2.405 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 4.971 17.149 -0.816 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 9.575 -0.155 -0.167 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 4.760 -3.798 -17.842 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 -3.954 -2.171 -13.454 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 -5.343 -0.638 7.645 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 -5.988 3.821 8.758 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 -5.092 16.735 12.334 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 -6.346 4.200 8.241 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 -13.886 -9.783 -12.199 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 13.567 3.738 2.549 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 -1.039 -0.651 -0.191 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 -13.041 -32.130 8.036 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 -3.828 -8.426 1.280 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 -4.172 0.545 0.401 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 -13.096 6.722 5.506 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 10.036 -4.467 -8.698 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 2.814 -9.738 2.796 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 5.777 -4.897 7.039 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 5.767 -2.751 -1.686 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 0.918 -3.341 2.213 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 -6.361 -3.882 16.265 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 -10.908 -5.046 24.547 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 -1.617 3.469 -0.976 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 4.832 15.074 -15.717 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 8.625 -5.842 5.785 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 7.963 -0.789 3.643 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 -1.131 3.620 27.974 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 29.595 13.371 -0.901 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 -2.106 0.286 4.221 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 -20.656 25.258 18.925 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 15.554 -20.342 -6.435 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 -4.366 -4.926 2.766 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 16.607 2.625 11.307 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 -2.180 1.459 2.981 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 -3.658 -3.402 2.396 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 14.277 -1.944 3.258 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 9.460 -4.270 9.489 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 3.242 4.821 -4.438 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 14.091 14.244 -21.143 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 12.884 3.647 -1.386 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 -3.647 -0.753 -3.618 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 -1.849 0.822 12.116 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 -7.301 -0.549 6.896 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 -0.290 1.864 2.287 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 2.647 -0.238 6.647 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 -3.347 2.208 -13.034 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 0.753 8.494 -3.391 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 -13.383 -1.367 -4.506 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 -6.088 29.422 -11.519 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 -1.612 -0.947 3.098 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 -3.550 11.030 3.842 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 -4.214 15.203 4.502 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 -2.470 2.891 4.721 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 -8.495 -17.218 19.824 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 -24.232 -22.532 -1.922 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 -0.856 -1.864 3.665 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 9.762 -17.898 10.544 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 -11.209 0.955 -4.125 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 2.697 6.276 -3.096 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 12.972 5.549 -15.771 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 1.303 -6.259 12.813 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 -1.045 -6.861 0.991 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 3.047 12.963 -10.821 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 -2.005 -1.248 -3.422 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 3.590 4.784 3.674 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 7.465 -14.931 5.863 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 -3.497 3.448 -1.878 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 -1.256 -2.989 -0.473 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 -7.290 12.362 -31.792 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 8.994 -6.770 -4.826 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 -3.455 0.691 2.818 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 -10.742 -18.933 -6.095 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 -7.239 -0.916 -1.169 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 -1.254 -5.087 -6.288 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 -2.196 5.742 -10.239 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 -13.075 -6.542 -4.395 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 3.734 -6.664 -4.208 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 10.736 19.010 -21.348 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 21.989 -12.773 14.279 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 -2.638 -0.454 -0.799 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 -3.260 0.589 -2.359 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 -12.137 -9.082 -20.365 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 -1.707 11.967 -0.662 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 -2.751 6.710 -18.658 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 1.354 13.465 23.153 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 -0.663 -3.604 -0.566 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 -11.971 -13.537 0.172 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 -14.805 -9.707 -0.788 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 1.542 -2.125 -3.351 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 7.764 3.662 -9.895 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 -9.145 2.155 -7.934 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 -4.640 4.308 -0.436 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 -8.503 -14.998 11.108 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 -4.880 3.794 0.582 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 11.639 1.304 -1.750 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 4.454 -8.203 -8.770 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 25.961 2.511 -18.510 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 -1.248 1.771 5.930 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 11.587 -2.769 20.820 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 9.917 -1.094 -11.425 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 -4.614 -4.057 -8.770 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 -5.740 -9.651 -20.188 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 5.697 2.182 -1.436 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 4.134 3.588 1.947 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 11.012 -1.342 -5.586 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 15.548 -4.586 -8.436 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 -3.819 -0.308 -4.202 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 6.215 -12.417 -26.851 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 -20.959 19.830 -12.722 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 2.141 2.327 3.365 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 -4.392 -17.798 1.495 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 8.720 -0.305 5.472 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 0.459 -0.996 -3.320 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 2.886 5.073 6.006 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 -2.082 -3.999 4.934 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 0.270 4.887 -2.010 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 8.444 9.962 9.552 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 -13.291 0.680 15.878 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 -2.425 -4.210 -3.759 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 25.963 5.223 -1.421 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 -22.449 -4.107 -16.171 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 0.984 1.421 2.637 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 -10.258 2.880 2.012 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 13.405 7.488 -4.377 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 1.733 0.655 -0.412 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 5.734 15.883 15.161 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 -0.669 -13.096 24.222 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 -7.005 0.363 -1.186 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 -21.673 3.436 11.482 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 -7.826 -11.372 -9.468 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 3.254 4.238 -3.368 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 28.062 -6.047 13.039 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 8.373 6.403 12.144 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 -1.721 -3.523 0.493 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 2.150 -7.539 4.816 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 -2.861 -0.772 -2.743 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 -0.946 4.097 -6.634 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 13.494 3.880 -19.657 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 11.878 -12.282 -36.309 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 5.151 3.751 2.112 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 -2.883 6.142 -5.539 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 17.272 6.932 -6.578 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 -3.569 0.109 -1.530 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 -4.658 3.487 -17.401 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 16.880 -6.053 1.180 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 0.337 -1.182 -6.535 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 -43.691 -23.644 -5.029 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 3.577 -1.436 -2.789 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 -7.510 0.267 -4.528 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 -10.512 3.030 -5.021 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 22.421 -8.141 -11.847 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 -1.157 -2.165 -5.055 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 7.143 7.016 -20.202 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 -35.512 -12.496 19.126 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 -2.141 2.759 1.428 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 -20.933 -2.334 -9.901 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 -10.909 -1.067 -3.770 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 0.220 -1.364 5.259 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 -11.805 9.134 8.042 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 15.307 0.625 17.504 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 -1.246 -3.802 5.100 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 -15.033 -14.384 -4.266 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 -5.609 -1.923 12.041 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 -0.591 -4.975 2.545 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 2.687 -6.046 13.548 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 -0.315 4.925 5.009 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 -4.878 3.001 -9.744 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 -0.817 0.283 -15.957 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 -10.346 22.201 -9.664 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 -1.497 -1.676 1.195 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 -0.448 -14.409 -9.011 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 -4.570 -5.961 2.890 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 0.902 0.218 0.537 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 9.687 12.251 11.685 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 -15.222 -12.176 21.241 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 3.443 -1.504 -3.326 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 -7.744 -2.701 -4.789 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 15.152 9.004 -6.688 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 -3.948 -1.581 4.085 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 -0.121 -4.258 4.248 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 -6.984 -2.168 7.146 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 -6.657 -1.530 3.561 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 -6.326 -9.510 -3.316 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 -15.196 2.347 7.270 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 1.992 -0.513 -4.583 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 -1.950 -0.073 -9.153 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 2.913 -4.653 -11.988 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 -0.170 -4.240 1.762 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 2.041 -3.948 -12.778 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 4.604 6.929 -35.937 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 6.504 -3.845 -3.514 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 0.636 -4.691 -3.380 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 6.842 -12.348 5.771 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 -8.298 0.546 2.345 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 -1.252 2.633 -4.397 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 -12.686 1.636 12.619 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 3.081 -5.173 -3.284 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 -7.283 -10.228 -3.518 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 7.794 -10.133 -6.193 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 -3.093 -5.440 -0.856 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 0.186 -6.625 -4.859 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 -4.587 -5.637 3.702 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 -3.084 -2.659 -0.808 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 -9.048 9.740 1.821 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 -1.855 0.155 -2.938 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 2.471 -6.975 1.617 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 0.491 -19.588 13.079 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 -1.102 -2.314 -22.680 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 5.297 -5.620 8.128 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 8.248 -4.353 27.333 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 4.259 -3.405 7.618 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 2.682 -4.211 -2.082 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 15.363 -19.434 -8.128 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 -9.860 -3.066 -4.163 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 -0.287 3.416 -1.250 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 -10.909 -11.478 -2.366 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 8.932 -2.567 -5.138 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 6.200 5.166 0.803 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 10.727 7.946 14.546 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 -0.779 4.733 9.089 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 2.801 -2.976 -1.022 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 13.014 2.847 1.301 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 12.893 -13.196 -2.725 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 -5.452 0.622 -0.462 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 9.427 6.142 -22.222 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 -4.426 -28.571 -4.252 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 -2.424 -0.691 -4.661 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 -16.831 10.742 -14.846 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 -8.677 2.502 -10.466 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 2.489 -7.507 -8.800 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 11.143 31.718 -15.142 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 16.334 -4.445 26.907 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 -2.210 5.713 -0.425 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 -5.895 15.577 -5.525 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 -9.946 3.445 7.987 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 -0.046 0.134 -2.985 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 -6.856 7.192 1.860 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 -2.902 -8.336 1.873 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 -3.904 3.774 -3.397 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 -8.014 -5.384 -2.757 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 3.051 -9.353 -1.296 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 -1.528 -1.278 3.123 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 2.756 -13.593 -8.423 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 -9.453 20.745 26.818 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 3.537 2.674 -3.970 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 -13.687 -5.111 -13.351 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 -4.097 -5.887 16.187 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 1.590 -3.090 -3.744 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 13.460 -8.725 -10.450 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 -1.648 12.512 3.763 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 -5.487 -3.034 0.556 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 14.273 -19.427 5.748 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 9.600 18.805 -0.232 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 12.432 -1.236 -2.510 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 11.060 8.141 -0.059 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 17.370 7.433 20.274 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 5.971 -2.940 -5.612 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 9.789 0.711 -8.620 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 5.502 -3.944 -1.598 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 7.513 3.911 2.315 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 5.049 -1.503 3.275 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 6.883 6.052 7.063 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 -0.872 -5.391 -4.126 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 3.357 -10.235 -6.999 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 5.288 13.190 -20.600 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 -0.314 -7.741 2.436 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 5.623 -13.556 21.795 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 -1.470 20.576 6.373 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 -5.305 1.595 2.315 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 -0.198 -0.337 -2.820 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 17.865 -8.134 -15.775 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 1.817 -5.308 0.072 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 -4.709 0.756 -6.575 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 -9.272 -3.097 -8.132 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 3.694 0.067 -1.179 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 -8.910 2.039 -3.021 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 25.030 -7.131 16.506 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 2.207 -0.738 -3.461 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 -7.221 -5.686 2.694 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 -2.372 -2.848 -0.503 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 0.598 -5.240 2.467 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 -9.019 -4.584 -2.111 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 7.700 0.554 2.758 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 5.084 -3.357 -4.257 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 5.182 -8.537 1.516 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 2.461 -5.738 -10.566 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 -0.224 0.864 -2.523 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 10.735 22.131 0.159 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 -8.918 1.132 -14.139 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 -4.491 1.683 4.397 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 -13.211 10.061 -9.744 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 1.400 -4.264 17.804 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 -1.600 2.867 -0.785 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 -4.192 -23.080 -11.407 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 -2.790 1.731 0.129 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 3.493 -3.129 -8.562 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 1.512 -7.403 -3.667 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 13.430 22.435 -20.823 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 0.270 4.282 -6.600 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 -15.486 -15.231 -7.367 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 8.663 22.866 1.697 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 6.351 4.221 -0.133 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 -11.106 14.639 1.044 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 2.282 -13.482 9.967 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 -7.571 -4.189 -0.985 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 -8.373 -3.899 -6.630 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 6.312 -3.846 22.363 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 -2.340 0.840 -1.245 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 26.739 12.308 -0.514 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 4.765 -7.765 30.517 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 -0.714 2.224 -3.194 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 11.324 -4.617 -5.980 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 -8.792 11.317 -8.230 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 1.836 -0.869 -2.341 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 42.415 -8.216 -3.142 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 -28.317 5.181 1.644 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 1.365 -0.742 -5.011 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 5.703 -0.577 -0.159 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 -3.229 -5.167 -7.642 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 2.784 2.730 0.509 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 -37.001 -24.142 16.590 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 -16.053 -12.507 4.168 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 -5.444 -3.278 -0.877 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 -12.978 3.890 -17.857 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 13.510 -8.106 -4.382 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 2.309 -11.089 4.191 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 8.112 3.825 -12.308 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 -17.432 10.080 -10.432 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 1.063 5.300 1.739 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 6.382 3.153 -9.279 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 8.998 1.610 3.843 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 5.142 -1.474 -3.085 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 12.828 6.840 -8.963 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 -2.185 -17.673 6.689 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 -0.458 2.041 3.105 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 4.163 -0.578 2.601 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 7.464 -2.929 2.737 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 3.156 -0.457 -4.763 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 1.065 2.771 2.504 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 -3.907 -5.597 -6.233 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 -5.423 3.389 0.270 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 -9.165 -5.085 -3.468 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 -0.940 16.608 5.335 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 -6.119 1.500 -0.787 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 -13.605 23.757 17.946 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 -3.182 14.801 11.741 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 -6.541 3.538 1.655 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 20.151 7.628 1.671 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 42.736 0.805 13.237 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 0.240 3.069 -2.286 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 -5.832 1.998 -7.886 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 24.398 1.471 24.788 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 -5.497 0.886 -5.446 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 3.368 18.134 11.571 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 -9.749 5.396 4.526 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 1.859 6.572 -4.270 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 3.072 20.273 -5.580 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 13.885 -2.381 -7.656 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 -3.143 -2.571 -1.168 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 -0.848 21.617 15.263 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 -12.699 -5.507 -0.251 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 5.127 -0.612 -1.597 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 10.894 16.523 1.098 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 4.444 -7.934 0.303 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 -1.641 1.581 0.169 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 -4.039 -13.455 -0.043 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 9.371 -2.389 17.378 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 -0.713 4.480 -1.157 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 -2.751 -2.273 1.937 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 1.463 4.128 -7.624 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 5.233 2.916 -0.813 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 7.540 3.194 -3.227 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 -2.650 -0.114 -2.939 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 1.872 1.154 0.315 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 0.401 0.127 9.606 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 3.916 -3.452 -4.930 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 -3.189 -6.944 -3.573 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 2.708 0.880 -0.531 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 1.946 3.625 -0.862 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 -1.031 0.002 2.667 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 3.910 -5.549 4.204 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 -1.090 6.567 2.722 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 4.196 1.250 -1.264 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 -1.869 2.842 -3.569 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 -3.948 1.950 -1.013 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 4.980 -1.379 -0.695 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 -5.034 -3.341 0.515 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 3.675 1.980 3.780 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 1.470 5.506 -4.839 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 -5.922 5.874 2.756 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 0.806 -3.977 4.604 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 -1.190 1.023 -5.739 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 1.309 3.956 2.691 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 -2.016 -0.559 -6.895 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 -1.159 10.405 -1.250 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 -3.061 5.711 10.369 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 0.232 -3.564 2.004 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 -1.946 -3.004 1.230 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 -0.321 4.995 4.255 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 -1.485 4.283 -2.581 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 -2.145 2.427 -1.898 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 -2.179 1.963 -0.421 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 3.715 -4.487 -6.120 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 -0.067 -4.937 -0.751 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 -4.547 -3.850 -2.517 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 0.956 3.433 4.544 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 -1.172 -2.322 0.206 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 1.471 2.237 -1.519 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 3.368 0.111 -2.623 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 1.575 0.093 2.785 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 -1.067 -1.231 2.970 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 5.257 4.753 -3.104 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 3.080 2.299 1.377 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 -2.528 -0.198 3.703 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 -0.132 -0.781 -2.595 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 1.040 1.752 -0.665 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 6.798 3.189 -0.529 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 7.423 -1.695 1.655 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 -0.239 -5.194 8.642 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 -1.584 -1.750 5.247 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 3.151 -2.271 -3.688 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 3.370 -1.530 0.517 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 -0.933 -4.491 -1.177 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 -5.637 -1.064 -4.935 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 3.221 -4.274 0.116 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 3.433 4.097 0.590 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 5.248 6.889 -6.447 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 -0.918 4.891 -0.917 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 4.890 -0.753 0.490 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 -3.750 5.561 3.211 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 1.167 1.618 0.401 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 -1.697 2.560 0.485 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 -1.394 1.059 -5.741 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 -2.815 -5.123 1.510 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 -0.415 7.558 2.908 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 -0.846 -1.187 0.149 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 2.977 3.545 1.556 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 -0.395 2.838 2.398 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 -3.250 -0.387 1.722 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 -1.008 -2.707 0.982 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 -0.544 -1.684 -0.468 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 0.779 -2.342 -2.094 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 -6.401 -1.919 -5.210 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 4.300 -3.936 -1.939 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 -4.095 4.884 -4.269 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 -3.655 2.319 2.500 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 2.700 -3.150 -1.740 1.00 0.00 ION NA END